*HEADER    STRUCTURAL GENOMICS, UNKNOWN FUNCTION   29-DEC-08   2KCV              
*TITLE     SOLUTION NMR STRUCTURE OF TETRATRICOPEPTIDE REPEAT DOMAIN             
*TITLE    2 PROTEIN SRU_0103 FROM SALINIBACTER RUBER, NORTHEAST                  
*TITLE    3 STRUCTURAL GENOMICS CONSORTIUM (NESG) TARGET SRR115C                 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: TETRATRICOPEPTIDE REPEAT DOMAIN PROTEIN;                   
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: SALINIBACTER RUBER DSM 13855;                   
*SOURCE   3 ORGANISM_TAXID: 309807;                                              
*SOURCE   4 GENE: SRU_0103;                                                      
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   7 EXPRESSION_SYSTEM_PLASMID: PET 21-23C                                
*KEYWDS    TETRATRICOPEPTIDE REPEAT, TPR, GFT NMR, RDC, NESG,                    
*KEYWDS   2 STRUCTURAL GENOMICS, PSI-2, PROTEIN STRUCTURE INITIATIVE,            
*KEYWDS   3 NORTHEAST STRUCTURAL GENOMICS CONSORTIUM, UNKNOWN FUNCTION,          
*KEYWDS   4 NUCLEOTIDE-BINDING PROTEIN                                           
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    G.LIU, P.ROSSI, D.WANG, C.NWOSU, L.OWENS, R.XIAO, J.LIU,              
*AUTHOR   2 M.C.BARAN, G.SWAPNA, T.B.ACTON, B.ROST, G.T.MONTELIONE,              
*AUTHOR   3 NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG)                      
*REVDAT   1   20-JAN-09 2KCV    0                                                


!
! ACO file produced by PDBStat
! Version:  5.0-Exp Compiled 2007-07-09 on (europa)
!
 dihedral
   assign (resid   6 and name C   )   (resid   7 and name N   )
          (resid   7 and name CA  )   (resid   7 and name C   )   1.0    -68.00    10.00   2 
   assign (resid   7 and name N   )   (resid   7 and name CA  )
          (resid   7 and name C   )   (resid   8 and name N   )   1.0    -39.00    10.00   2 
   assign (resid   7 and name C   )   (resid   8 and name N   )
          (resid   8 and name CA  )   (resid   8 and name C   )   1.0    -67.00    18.00   2 
   assign (resid   8 and name N   )   (resid   8 and name CA  )
          (resid   8 and name C   )   (resid   9 and name N   )   1.0    -39.00    16.00   2 
   assign (resid   8 and name C   )   (resid   9 and name N   )
          (resid   9 and name CA  )   (resid   9 and name C   )   1.0    -62.00    10.00   2 
   assign (resid   9 and name N   )   (resid   9 and name CA  )
          (resid   9 and name C   )   (resid  10 and name N   )   1.0    -42.00    14.00   2 
   assign (resid   9 and name C   )   (resid  10 and name N   )
          (resid  10 and name CA  )   (resid  10 and name C   )   1.0    -62.00    12.00   2 
   assign (resid  10 and name N   )   (resid  10 and name CA  )
          (resid  10 and name C   )   (resid  11 and name N   )   1.0    -43.00    10.00   2 
   assign (resid  10 and name C   )   (resid  11 and name N   )
          (resid  11 and name CA  )   (resid  11 and name C   )   1.0    -63.00    12.00   2 
   assign (resid  11 and name N   )   (resid  11 and name CA  )
          (resid  11 and name C   )   (resid  12 and name N   )   1.0    -39.00    10.00   2 
   assign (resid  11 and name C   )   (resid  12 and name N   )
          (resid  12 and name CA  )   (resid  12 and name C   )   1.0    -66.00    10.00   2 
   assign (resid  12 and name N   )   (resid  12 and name CA  )
          (resid  12 and name C   )   (resid  13 and name N   )   1.0    -38.00    12.00   2 
   assign (resid  12 and name C   )   (resid  13 and name N   )
          (resid  13 and name CA  )   (resid  13 and name C   )   1.0    -62.00    12.00   2 
   assign (resid  13 and name N   )   (resid  13 and name CA  )
          (resid  13 and name C   )   (resid  14 and name N   )   1.0    -44.00    12.00   2 
   assign (resid  13 and name C   )   (resid  14 and name N   )
          (resid  14 and name CA  )   (resid  14 and name C   )   1.0    -65.00    10.00   2 
   assign (resid  14 and name N   )   (resid  14 and name CA  )
          (resid  14 and name C   )   (resid  15 and name N   )   1.0    -37.00    12.00   2 
   assign (resid  14 and name C   )   (resid  15 and name N   )
          (resid  15 and name CA  )   (resid  15 and name C   )   1.0    -66.00    10.00   2 
   assign (resid  15 and name N   )   (resid  15 and name CA  )
          (resid  15 and name C   )   (resid  16 and name N   )   1.0    -41.00    12.00   2 
   assign (resid  15 and name C   )   (resid  16 and name N   )
          (resid  16 and name CA  )   (resid  16 and name C   )   1.0    -64.00    12.00   2 
   assign (resid  16 and name N   )   (resid  16 and name CA  )
          (resid  16 and name C   )   (resid  17 and name N   )   1.0    -43.00    20.00   2 
   assign (resid  16 and name C   )   (resid  17 and name N   )
          (resid  17 and name CA  )   (resid  17 and name C   )   1.0    -67.00    14.00   2 
   assign (resid  17 and name N   )   (resid  17 and name CA  )
          (resid  17 and name C   )   (resid  18 and name N   )   1.0    -39.00    14.00   2 
   assign (resid  17 and name C   )   (resid  18 and name N   )
          (resid  18 and name CA  )   (resid  18 and name C   )   1.0    -67.00    12.00   2 
   assign (resid  18 and name N   )   (resid  18 and name CA  )
          (resid  18 and name C   )   (resid  19 and name N   )   1.0    -30.00    20.00   2 
   assign (resid  21 and name C   )   (resid  22 and name N   )
          (resid  22 and name CA  )   (resid  22 and name C   )   1.0    -59.00    12.00   2 
   assign (resid  22 and name N   )   (resid  22 and name CA  )
          (resid  22 and name C   )   (resid  23 and name N   )   1.0    -37.00    14.00   2 
   assign (resid  22 and name C   )   (resid  23 and name N   )
          (resid  23 and name CA  )   (resid  23 and name C   )   1.0    -64.00    12.00   2 
   assign (resid  23 and name N   )   (resid  23 and name CA  )
          (resid  23 and name C   )   (resid  24 and name N   )   1.0    -43.00    16.00   2 
   assign (resid  23 and name C   )   (resid  24 and name N   )
          (resid  24 and name CA  )   (resid  24 and name C   )   1.0    -66.00    10.00   2 
   assign (resid  24 and name N   )   (resid  24 and name CA  )
          (resid  24 and name C   )   (resid  25 and name N   )   1.0    -43.00    12.00   2 
   assign (resid  24 and name C   )   (resid  25 and name N   )
          (resid  25 and name CA  )   (resid  25 and name C   )   1.0    -64.00    10.00   2 
   assign (resid  25 and name N   )   (resid  25 and name CA  )
          (resid  25 and name C   )   (resid  26 and name N   )   1.0    -42.00    14.00   2 
   assign (resid  25 and name C   )   (resid  26 and name N   )
          (resid  26 and name CA  )   (resid  26 and name C   )   1.0    -64.00    20.00   2 
   assign (resid  26 and name N   )   (resid  26 and name CA  )
          (resid  26 and name C   )   (resid  27 and name N   )   1.0    -42.00    14.00   2 
   assign (resid  26 and name C   )   (resid  27 and name N   )
          (resid  27 and name CA  )   (resid  27 and name C   )   1.0    -65.00    16.00   2 
   assign (resid  27 and name N   )   (resid  27 and name CA  )
          (resid  27 and name C   )   (resid  28 and name N   )   1.0    -41.00    10.00   2 
   assign (resid  27 and name C   )   (resid  28 and name N   )
          (resid  28 and name CA  )   (resid  28 and name C   )   1.0    -69.00    16.00   2 
   assign (resid  28 and name N   )   (resid  28 and name CA  )
          (resid  28 and name C   )   (resid  29 and name N   )   1.0    -36.00    22.00   2 
   assign (resid  28 and name C   )   (resid  29 and name N   )
          (resid  29 and name CA  )   (resid  29 and name C   )   1.0    -70.00    22.00   2 
   assign (resid  29 and name N   )   (resid  29 and name CA  )
          (resid  29 and name C   )   (resid  30 and name N   )   1.0    -43.00    12.00   2 
   assign (resid  29 and name C   )   (resid  30 and name N   )
          (resid  30 and name CA  )   (resid  30 and name C   )   1.0    -62.00    10.00   2 
   assign (resid  30 and name N   )   (resid  30 and name CA  )
          (resid  30 and name C   )   (resid  31 and name N   )   1.0    -38.00    22.00   2 
   assign (resid  30 and name C   )   (resid  31 and name N   )
          (resid  31 and name CA  )   (resid  31 and name C   )   1.0    -67.00    10.00   2 
   assign (resid  31 and name N   )   (resid  31 and name CA  )
          (resid  31 and name C   )   (resid  32 and name N   )   1.0    -39.00    14.00   2 
   assign (resid  31 and name C   )   (resid  32 and name N   )
          (resid  32 and name CA  )   (resid  32 and name C   )   1.0    -63.00    10.00   2 
   assign (resid  32 and name N   )   (resid  32 and name CA  )
          (resid  32 and name C   )   (resid  33 and name N   )   1.0    -45.00    10.00   2 
   assign (resid  32 and name C   )   (resid  33 and name N   )
          (resid  33 and name CA  )   (resid  33 and name C   )   1.0    -65.00    10.00   2 
   assign (resid  33 and name N   )   (resid  33 and name CA  )
          (resid  33 and name C   )   (resid  34 and name N   )   1.0    -41.00    22.00   2 
   assign (resid  33 and name C   )   (resid  34 and name N   )
          (resid  34 and name CA  )   (resid  34 and name C   )   1.0    -65.00    16.00   2 
   assign (resid  34 and name N   )   (resid  34 and name CA  )
          (resid  34 and name C   )   (resid  35 and name N   )   1.0    -37.00    10.00   2 
   assign (resid  40 and name C   )   (resid  41 and name N   )
          (resid  41 and name CA  )   (resid  41 and name C   )   1.0    -68.00    28.00   2 
   assign (resid  41 and name N   )   (resid  41 and name CA  )
          (resid  41 and name C   )   (resid  42 and name N   )   1.0    -28.00    40.00   2 
   assign (resid  41 and name C   )   (resid  42 and name N   )
          (resid  42 and name CA  )   (resid  42 and name C   )   1.0    -62.00    14.00   2 
   assign (resid  42 and name N   )   (resid  42 and name CA  )
          (resid  42 and name C   )   (resid  43 and name N   )   1.0    -47.00    10.00   2 
   assign (resid  42 and name C   )   (resid  43 and name N   )
          (resid  43 and name CA  )   (resid  43 and name C   )   1.0    -64.00    10.00   2 
   assign (resid  43 and name N   )   (resid  43 and name CA  )
          (resid  43 and name C   )   (resid  44 and name N   )   1.0    -42.00    10.00   2 
   assign (resid  43 and name C   )   (resid  44 and name N   )
          (resid  44 and name CA  )   (resid  44 and name C   )   1.0    -63.00    12.00   2 
   assign (resid  44 and name N   )   (resid  44 and name CA  )
          (resid  44 and name C   )   (resid  45 and name N   )   1.0    -43.00    22.00   2 
   assign (resid  44 and name C   )   (resid  45 and name N   )
          (resid  45 and name CA  )   (resid  45 and name C   )   1.0    -64.00    10.00   2 
   assign (resid  45 and name N   )   (resid  45 and name CA  )
          (resid  45 and name C   )   (resid  46 and name N   )   1.0    -40.00    10.00   2 
   assign (resid  45 and name C   )   (resid  46 and name N   )
          (resid  46 and name CA  )   (resid  46 and name C   )   1.0    -66.00    12.00   2 
   assign (resid  46 and name N   )   (resid  46 and name CA  )
          (resid  46 and name C   )   (resid  47 and name N   )   1.0    -35.00    14.00   2 
   assign (resid  46 and name C   )   (resid  47 and name N   )
          (resid  47 and name CA  )   (resid  47 and name C   )   1.0    -62.00    12.00   2 
   assign (resid  47 and name N   )   (resid  47 and name CA  )
          (resid  47 and name C   )   (resid  48 and name N   )   1.0    -42.00    20.00   2 
   assign (resid  47 and name C   )   (resid  48 and name N   )
          (resid  48 and name CA  )   (resid  48 and name C   )   1.0    -68.00    10.00   2 
   assign (resid  48 and name N   )   (resid  48 and name CA  )
          (resid  48 and name C   )   (resid  49 and name N   )   1.0    -37.00    18.00   2 
   assign (resid  48 and name C   )   (resid  49 and name N   )
          (resid  49 and name CA  )   (resid  49 and name C   )   1.0    -62.00    14.00   2 
   assign (resid  49 and name N   )   (resid  49 and name CA  )
          (resid  49 and name C   )   (resid  50 and name N   )   1.0    -42.00    14.00   2 
   assign (resid  49 and name C   )   (resid  50 and name N   )
          (resid  50 and name CA  )   (resid  50 and name C   )   1.0    -65.00    10.00   2 
   assign (resid  50 and name N   )   (resid  50 and name CA  )
          (resid  50 and name C   )   (resid  51 and name N   )   1.0    -41.00    14.00   2 
   assign (resid  50 and name C   )   (resid  51 and name N   )
          (resid  51 and name CA  )   (resid  51 and name C   )   1.0    -65.00    14.00   2 
   assign (resid  51 and name N   )   (resid  51 and name CA  )
          (resid  51 and name C   )   (resid  52 and name N   )   1.0    -39.00    16.00   2 
   assign (resid  51 and name C   )   (resid  52 and name N   )
          (resid  52 and name CA  )   (resid  52 and name C   )   1.0    -69.00    14.00   2 
   assign (resid  52 and name N   )   (resid  52 and name CA  )
          (resid  52 and name C   )   (resid  53 and name N   )   1.0    -24.00    22.00   2 
   assign (resid  52 and name C   )   (resid  53 and name N   )
          (resid  53 and name CA  )   (resid  53 and name C   )   1.0    -87.00    36.00   2 
   assign (resid  53 and name N   )   (resid  53 and name CA  )
          (resid  53 and name C   )   (resid  54 and name N   )   1.0      4.00    30.00   2 
   assign (resid  55 and name C   )   (resid  56 and name N   )
          (resid  56 and name CA  )   (resid  56 and name C   )   1.0    -60.00    12.00   2 
   assign (resid  56 and name N   )   (resid  56 and name CA  )
          (resid  56 and name C   )   (resid  57 and name N   )   1.0    -41.00    10.00   2 
   assign (resid  56 and name C   )   (resid  57 and name N   )
          (resid  57 and name CA  )   (resid  57 and name C   )   1.0    -63.00    12.00   2 
   assign (resid  57 and name N   )   (resid  57 and name CA  )
          (resid  57 and name C   )   (resid  58 and name N   )   1.0    -40.00    12.00   2 
   assign (resid  57 and name C   )   (resid  58 and name N   )
          (resid  58 and name CA  )   (resid  58 and name C   )   1.0    -67.00    12.00   2 
   assign (resid  58 and name N   )   (resid  58 and name CA  )
          (resid  58 and name C   )   (resid  59 and name N   )   1.0    -39.00    10.00   2 
   assign (resid  58 and name C   )   (resid  59 and name N   )
          (resid  59 and name CA  )   (resid  59 and name C   )   1.0    -67.00    12.00   2 
   assign (resid  59 and name N   )   (resid  59 and name CA  )
          (resid  59 and name C   )   (resid  60 and name N   )   1.0    -41.00    14.00   2 
   assign (resid  59 and name C   )   (resid  60 and name N   )
          (resid  60 and name CA  )   (resid  60 and name C   )   1.0    -63.00    10.00   2 
   assign (resid  60 and name N   )   (resid  60 and name CA  )
          (resid  60 and name C   )   (resid  61 and name N   )   1.0    -44.00    16.00   2 
   assign (resid  60 and name C   )   (resid  61 and name N   )
          (resid  61 and name CA  )   (resid  61 and name C   )   1.0    -63.00    10.00   2 
   assign (resid  61 and name N   )   (resid  61 and name CA  )
          (resid  61 and name C   )   (resid  62 and name N   )   1.0    -39.00    22.00   2 
   assign (resid  61 and name C   )   (resid  62 and name N   )
          (resid  62 and name CA  )   (resid  62 and name C   )   1.0    -69.00    18.00   2 
   assign (resid  62 and name N   )   (resid  62 and name CA  )
          (resid  62 and name C   )   (resid  63 and name N   )   1.0    -40.00    14.00   2 
   assign (resid  62 and name C   )   (resid  63 and name N   )
          (resid  63 and name CA  )   (resid  63 and name C   )   1.0    -65.00    14.00   2 
   assign (resid  63 and name N   )   (resid  63 and name CA  )
          (resid  63 and name C   )   (resid  64 and name N   )   1.0    -39.00    14.00   2 
   assign (resid  63 and name C   )   (resid  64 and name N   )
          (resid  64 and name CA  )   (resid  64 and name C   )   1.0    -61.00    12.00   2 
   assign (resid  64 and name N   )   (resid  64 and name CA  )
          (resid  64 and name C   )   (resid  65 and name N   )   1.0    -40.00    16.00   2 
   assign (resid  64 and name C   )   (resid  65 and name N   )
          (resid  65 and name CA  )   (resid  65 and name C   )   1.0    -65.00    10.00   2 
   assign (resid  65 and name N   )   (resid  65 and name CA  )
          (resid  65 and name C   )   (resid  66 and name N   )   1.0    -43.00    12.00   2 
   assign (resid  65 and name C   )   (resid  66 and name N   )
          (resid  66 and name CA  )   (resid  66 and name C   )   1.0    -64.00    10.00   2 
   assign (resid  66 and name N   )   (resid  66 and name CA  )
          (resid  66 and name C   )   (resid  67 and name N   )   1.0    -41.00    10.00   2 
   assign (resid  66 and name C   )   (resid  67 and name N   )
          (resid  67 and name CA  )   (resid  67 and name C   )   1.0    -68.00    20.00   2 
   assign (resid  67 and name N   )   (resid  67 and name CA  )
          (resid  67 and name C   )   (resid  68 and name N   )   1.0    -43.00    10.00   2 
   assign (resid  67 and name C   )   (resid  68 and name N   )
          (resid  68 and name CA  )   (resid  68 and name C   )   1.0    -64.00    10.00   2 
   assign (resid  68 and name N   )   (resid  68 and name CA  )
          (resid  68 and name C   )   (resid  69 and name N   )   1.0    -37.00    18.00   2 
   assign (resid  68 and name C   )   (resid  69 and name N   )
          (resid  69 and name CA  )   (resid  69 and name C   )   1.0    -67.00    14.00   2 
   assign (resid  69 and name N   )   (resid  69 and name CA  )
          (resid  69 and name C   )   (resid  70 and name N   )   1.0    -43.00    20.00   2 
   assign (resid  69 and name C   )   (resid  70 and name N   )
          (resid  70 and name CA  )   (resid  70 and name C   )   1.0    -63.00    10.00   2 
   assign (resid  70 and name N   )   (resid  70 and name CA  )
          (resid  70 and name C   )   (resid  71 and name N   )   1.0    -42.00    10.00   2 
   assign (resid  70 and name C   )   (resid  71 and name N   )
          (resid  71 and name CA  )   (resid  71 and name C   )   1.0    -67.00    12.00   2 
   assign (resid  71 and name N   )   (resid  71 and name CA  )
          (resid  71 and name C   )   (resid  72 and name N   )   1.0    -41.00    16.00   2 
   assign (resid  71 and name C   )   (resid  72 and name N   )
          (resid  72 and name CA  )   (resid  72 and name C   )   1.0    -67.00    20.00   2 
   assign (resid  72 and name N   )   (resid  72 and name CA  )
          (resid  72 and name C   )   (resid  73 and name N   )   1.0    -33.00    18.00   2 
   assign (resid  75 and name C   )   (resid  76 and name N   )
          (resid  76 and name CA  )   (resid  76 and name C   )   1.0    -60.00    20.00   2 
   assign (resid  76 and name N   )   (resid  76 and name CA  )
          (resid  76 and name C   )   (resid  77 and name N   )   1.0    -36.00    20.00   2 
   assign (resid  76 and name C   )   (resid  77 and name N   )
          (resid  77 and name CA  )   (resid  77 and name C   )   1.0    -66.00    16.00   2 
   assign (resid  77 and name N   )   (resid  77 and name CA  )
          (resid  77 and name C   )   (resid  78 and name N   )   1.0    -39.00    10.00   2 
   assign (resid  77 and name C   )   (resid  78 and name N   )
          (resid  78 and name CA  )   (resid  78 and name C   )   1.0    -68.00    12.00   2 
   assign (resid  78 and name N   )   (resid  78 and name CA  )
          (resid  78 and name C   )   (resid  79 and name N   )   1.0    -38.00    22.00   2 
   assign (resid  78 and name C   )   (resid  79 and name N   )
          (resid  79 and name CA  )   (resid  79 and name C   )   1.0    -63.00    10.00   2 
   assign (resid  79 and name N   )   (resid  79 and name CA  )
          (resid  79 and name C   )   (resid  80 and name N   )   1.0    -38.00    14.00   2 
   assign (resid  79 and name C   )   (resid  80 and name N   )
          (resid  80 and name CA  )   (resid  80 and name C   )   1.0    -64.00    12.00   2 
   assign (resid  80 and name N   )   (resid  80 and name CA  )
          (resid  80 and name C   )   (resid  81 and name N   )   1.0    -42.00    10.00   2 
   assign (resid  80 and name C   )   (resid  81 and name N   )
          (resid  81 and name CA  )   (resid  81 and name C   )   1.0    -67.00    10.00   2 
   assign (resid  81 and name N   )   (resid  81 and name CA  )
          (resid  81 and name C   )   (resid  82 and name N   )   1.0    -42.00    10.00   2 
   assign (resid  81 and name C   )   (resid  82 and name N   )
          (resid  82 and name CA  )   (resid  82 and name C   )   1.0    -61.00    12.00   2 
   assign (resid  82 and name N   )   (resid  82 and name CA  )
          (resid  82 and name C   )   (resid  83 and name N   )   1.0    -41.00    12.00   2 
   assign (resid  82 and name C   )   (resid  83 and name N   )
          (resid  83 and name CA  )   (resid  83 and name C   )   1.0    -67.00    12.00   2 
   assign (resid  83 and name N   )   (resid  83 and name CA  )
          (resid  83 and name C   )   (resid  84 and name N   )   1.0    -38.00    20.00   2 
   assign (resid  83 and name C   )   (resid  84 and name N   )
          (resid  84 and name CA  )   (resid  84 and name C   )   1.0    -62.00    10.00   2 
   assign (resid  84 and name N   )   (resid  84 and name CA  )
          (resid  84 and name C   )   (resid  85 and name N   )   1.0    -42.00    12.00   2 
   assign (resid  84 and name C   )   (resid  85 and name N   )
          (resid  85 and name CA  )   (resid  85 and name C   )   1.0    -66.00    12.00   2 
   assign (resid  85 and name N   )   (resid  85 and name CA  )
          (resid  85 and name C   )   (resid  86 and name N   )   1.0    -40.00    10.00   2 
   assign (resid  85 and name C   )   (resid  86 and name N   )
          (resid  86 and name CA  )   (resid  86 and name C   )   1.0    -62.00    12.00   2 
   assign (resid  86 and name N   )   (resid  86 and name CA  )
          (resid  86 and name C   )   (resid  87 and name N   )   1.0    -43.00    12.00   2 
   assign (resid  86 and name C   )   (resid  87 and name N   )
          (resid  87 and name CA  )   (resid  87 and name C   )   1.0    -65.00    10.00   2 
   assign (resid  87 and name N   )   (resid  87 and name CA  )
          (resid  87 and name C   )   (resid  88 and name N   )   1.0    -39.00    22.00   2 
   assign (resid  87 and name C   )   (resid  88 and name N   )
          (resid  88 and name CA  )   (resid  88 and name C   )   1.0    -64.00    10.00   2 
   assign (resid  88 and name N   )   (resid  88 and name CA  )
          (resid  88 and name C   )   (resid  89 and name N   )   1.0    -41.00    20.00   2 
   assign (resid  88 and name C   )   (resid  89 and name N   )
          (resid  89 and name CA  )   (resid  89 and name C   )   1.0    -63.00    12.00   2 
   assign (resid  89 and name N   )   (resid  89 and name CA  )
          (resid  89 and name C   )   (resid  90 and name N   )   1.0    -34.00    30.00   2 
   assign (resid  89 and name C   )   (resid  90 and name N   )
          (resid  90 and name CA  )   (resid  90 and name C   )   1.0    -71.00    18.00   2 
   assign (resid  90 and name N   )   (resid  90 and name CA  )
          (resid  90 and name C   )   (resid  91 and name N   )   1.0    -31.00    24.00   2 
   assign (resid  39 and name N   )   (resid  39 and name CA  )
          (resid  39 and name C   )   (resid  40 and name N   )   1.0    122.50    37.50   2 
   assign (resid  38 and name C   )   (resid  39 and name N   )
          (resid  39 and name CA  )   (resid  39 and name C   )   1.0    -87.50    32.50   2 
   assign (resid  39 and name CA  )   (resid  39 and name CB  )
          (resid  39 and name CG  )   (resid  39 and name CD1 )   1.0     65.00    25.00   2 
 end
 assign (resid   1 and name HA   ) (resid   2 and name HN   )  3.00  1.20  0.45
 assign (resid   1 and name HB2  ) (resid   2 and name HN   )  4.10  2.30  0.62
 assign (resid   1 and name HB1  ) (resid   2 and name HN   )  4.10  2.30  0.62
 assign (resid   2 and name HN   ) (resid   2 and name HB2  )  3.61  1.81  0.54
 assign (resid   2 and name HN   ) (resid   2 and name HB1  )  3.61  1.81  0.54
 assign (resid   3 and name HA   ) (resid   4 and name HN   )  3.47  1.67  0.52
 assign (resid   4 and name HN   ) (resid   4 and name HB2  )  3.78  1.98  0.57
 assign (resid  51 and name HN   ) (resid  51 and name HG2  )  3.43  1.63  0.51
 assign (resid   4 and name HN   ) (resid   4 and name HB1  )  3.78  1.98  0.57
 assign (resid   4 and name HN   ) (resid   4 and name HG1  )  3.83  2.03  0.57
 assign (resid   4 and name HN   ) (resid   5 and name HN   )  3.00  1.20  0.45
 assign (resid   5 and name HN   ) (resid   8 and name HB   )  4.26  2.46  0.64
 assign (resid   4 and name HB2  ) (resid   5 and name HN   )  3.87  2.07  0.58
 assign (resid   4 and name HB1  ) (resid   5 and name HN   )  3.87  2.07  0.58
 assign (resid   5 and name HN   ) (resid   5 and name HB2  )  2.81  1.01  0.42
 assign (resid   6 and name HB2  ) (resid   7 and name HN   )  4.19  2.39  0.63
 assign (resid   6 and name HB1  ) (resid   7 and name HN   )  4.19  2.39  0.63
 assign (resid   6 and name HG1  ) (resid   7 and name HN   )  4.09  2.29  0.61
 assign (resid   6 and name HG2  ) (resid   7 and name HN   )  4.09  2.29  0.61
 assign (resid   6 and name HD2  ) (resid   7 and name HN   )  4.15  2.35  0.62
 assign (resid   6 and name HD1  ) (resid   7 and name HN   )  4.15  2.35  0.62
 assign (resid   7 and name HN   ) (resid   7 and name HB1  )  3.13  1.33  0.47
 assign (resid   7 and name HN   ) (resid   7 and name HB2  )  3.20  1.40  0.48
 assign (resid   7 and name HN   ) (resid   7 and name HD*  )  4.20  2.40  0.63
 assign (resid   7 and name HN   ) (resid   8 and name HN   )  3.16  1.36  0.47
 assign (resid   7 and name HB1  ) (resid   8 and name HN   )  3.49  1.69  0.52
 assign (resid   7 and name HB2  ) (resid   8 and name HN   )  3.81  2.01  0.57
 assign (resid   7 and name HD*  ) (resid   8 and name HN   )  4.40  2.60  0.66
 assign (resid   8 and name HN   ) (resid   8 and name HB   )  2.91  1.11  0.44
 assign (resid   8 and name HN   ) (resid   9 and name HN   )  3.22  1.42  0.48
 assign (resid   8 and name HN   ) (resid  10 and name HN   )  4.24  2.44  0.64
 assign (resid   7 and name HN   ) (resid   9 and name HN   )  5.15  3.35  0.77
 assign (resid   8 and name HB   ) (resid   9 and name HN   )  3.51  1.71  0.53
 assign (resid   9 and name HN   ) (resid   9 and name HB1  )  3.40  1.60  0.51
 assign (resid   9 and name HN   ) (resid   9 and name HB2  )  3.87  2.07  0.58
 assign (resid   9 and name HN   ) (resid   9 and name HG2  )  3.74  1.94  0.56
 assign (resid   9 and name HN   ) (resid   9 and name HG1  )  3.70  1.90  0.56
 assign (resid   9 and name HN   ) (resid   9 and name HD1  )  4.37  2.57  0.66
 assign (resid   9 and name HN   ) (resid   9 and name HD2  )  4.58  2.78  0.69
 assign (resid   7 and name HA   ) (resid  10 and name HN   )  4.09  2.29  0.61
 assign (resid   7 and name HA   ) (resid  11 and name HN   )  4.34  2.54  0.65
 assign (resid   9 and name HN   ) (resid  10 and name HN   )  3.57  1.77  0.54
 assign (resid   9 and name HB1  ) (resid  10 and name HN   )  3.97  2.17  0.60
 assign (resid   9 and name HB2  ) (resid  10 and name HN   )  4.40  2.60  0.66
 assign (resid   9 and name HG2  ) (resid  10 and name HN   )  4.51  2.71  0.68
 assign (resid   9 and name HG1  ) (resid  10 and name HN   )  3.93  2.13  0.59
 assign (resid   9 and name HD1  ) (resid  10 and name HN   )  4.22  2.42  0.63
 assign (resid   9 and name HD2  ) (resid  10 and name HN   )  4.53  2.73  0.68
 assign (resid  10 and name HN   ) (resid  10 and name HB2  )  3.34  1.54  0.50
 assign (resid  10 and name HN   ) (resid  10 and name HB1  )  3.57  1.77  0.54
 assign (resid  10 and name HB1  ) (resid  11 and name HN   )  3.84  2.04  0.58
 assign (resid  10 and name HD*  ) (resid  11 and name HN   )  3.47  1.67  0.52
 assign (resid  11 and name HN   ) (resid  11 and name HB*  )  2.76  0.96  0.41
 assign (resid  11 and name HN   ) (resid  12 and name HN   )  3.30  1.50  0.50
 assign (resid   9 and name HA   ) (resid  12 and name HN   )  3.97  2.17  0.60
 assign (resid  10 and name HA   ) (resid  12 and name HN   )  4.98  3.18  0.75
 assign (resid  12 and name HN   ) (resid  12 and name HB2  )  3.07  1.27  0.46
 assign (resid  12 and name HN   ) (resid  12 and name HB1  )  3.37  1.57  0.51
 assign (resid  12 and name HN   ) (resid  28 and name HD1* )  4.63  2.83  0.69
 assign (resid  12 and name HN   ) (resid  14 and name HN   )  4.62  2.82  0.69
 assign (resid  10 and name HA   ) (resid  13 and name HN   )  4.02  2.22  0.60
 assign (resid  12 and name HN   ) (resid  13 and name HN   )  3.01  1.21  0.45
 assign (resid  12 and name HB1  ) (resid  13 and name HN   )  3.01  1.21  0.45
 assign (resid  22 and name HN   ) (resid  22 and name HB*  )  2.66  0.86  0.40
 assign (resid  13 and name HN   ) (resid  28 and name HD1* )  3.36  1.56  0.50
 assign (resid  13 and name HN   ) (resid  13 and name HB*  )  2.70  0.90  0.41
 assign (resid  13 and name HN   ) (resid  14 and name HN   )  2.94  1.14  0.44
 assign (resid  13 and name HN   ) (resid  15 and name HN   )  4.23  2.43  0.63
 assign (resid  10 and name HA   ) (resid  14 and name HN   )  5.15  3.35  0.77
 assign (resid  13 and name HB*  ) (resid  14 and name HN   )  3.12  1.32  0.47
 assign (resid  14 and name HN   ) (resid  14 and name HB2  )  3.08  1.28  0.46
 assign (resid  14 and name HN   ) (resid  14 and name HB1  )  3.71  1.91  0.56
 assign (resid  14 and name HN   ) (resid  14 and name HG2  )  3.17  1.37  0.48
 assign (resid  14 and name HN   ) (resid  14 and name HG1  )  3.26  1.46  0.49
 assign (resid  14 and name HN   ) (resid  15 and name HN   )  3.24  1.44  0.49
 assign (resid  14 and name HN   ) (resid  16 and name HN   )  4.34  2.54  0.65
 assign (resid  13 and name HA   ) (resid  15 and name HN   )  6.50  4.70  0.98
 assign (resid  52 and name HN   ) (resid  52 and name HG2  )  5.00  3.20  0.75
 assign (resid  14 and name HG2  ) (resid  15 and name HN   )  4.76  2.96  0.71
 assign (resid  14 and name HG1  ) (resid  15 and name HN   )  4.13  2.33  0.62
 assign (resid  15 and name HN   ) (resid  15 and name HB2  )  2.95  1.15  0.44
 assign (resid  15 and name HN   ) (resid  15 and name HG2  )  3.47  1.67  0.52
 assign (resid  15 and name HN   ) (resid  17 and name HN   )  4.16  2.36  0.62
 assign (resid  13 and name HA   ) (resid  16 and name HN   )  3.95  2.15  0.59
 assign (resid  15 and name HN   ) (resid  16 and name HN   )  3.12  1.32  0.47
 assign (resid  15 and name HA   ) (resid  16 and name HN   )  3.50  1.70  0.53
 assign (resid  15 and name HB2  ) (resid  16 and name HN   )  3.12  1.32  0.47
 assign (resid  15 and name HG1  ) (resid  16 and name HN   )  5.00  3.20  0.75
 assign (resid  16 and name HN   ) (resid  16 and name HB1  )  3.58  1.78  0.54
 assign (resid  16 and name HN   ) (resid  16 and name HB2  )  3.37  1.57  0.51
 assign (resid  16 and name HN   ) (resid  16 and name HD2  )  3.93  2.13  0.59
 assign (resid  13 and name HA   ) (resid  17 and name HN   )  5.98  4.18  0.90
 assign (resid  14 and name HA   ) (resid  17 and name HN   )  3.93  2.13  0.59
 assign (resid  15 and name HA   ) (resid  17 and name HN   )  5.68  3.88  0.85
 assign (resid  16 and name HN   ) (resid  17 and name HN   )  3.20  1.40  0.48
 assign (resid  16 and name HB1  ) (resid  17 and name HN   )  3.62  1.82  0.54
 assign (resid  16 and name HB2  ) (resid  17 and name HN   )  3.72  1.92  0.56
 assign (resid  16 and name HD2  ) (resid  17 and name HN   )  5.49  3.69  0.82
 assign (resid  17 and name HN   ) (resid  17 and name HB2  )  2.70  0.90  0.41
 assign (resid  17 and name HN   ) (resid  17 and name HG   )  3.23  1.43  0.48
 assign (resid  17 and name HN   ) (resid  17 and name HD2* )  3.65  1.85  0.55
 assign (resid  17 and name HN   ) (resid  18 and name HN   )  3.06  1.26  0.46
 assign (resid  17 and name HB2  ) (resid  18 and name HN   )  2.77  0.97  0.42
 assign (resid  17 and name HG   ) (resid  18 and name HN   )  4.35  2.55  0.65
 assign (resid  17 and name HD2* ) (resid  18 and name HN   )  4.62  2.82  0.69
 assign (resid  17 and name HD1* ) (resid  18 and name HN   )  4.83  3.03  0.72
 assign (resid  18 and name HN   ) (resid  18 and name HA   )  2.89  1.09  0.43
 assign (resid  18 and name HN   ) (resid  18 and name HG2  )  3.54  1.74  0.53
 assign (resid  18 and name HN   ) (resid  18 and name HG1  )  3.54  1.74  0.53
 assign (resid  18 and name HN   ) (resid  19 and name HN   )  3.06  1.26  0.46
 assign (resid  18 and name HB2  ) (resid  19 and name HN   )  4.97  3.17  0.75
 assign (resid  18 and name HB1  ) (resid  19 and name HN   )  4.97  3.17  0.75
 assign (resid  18 and name HG2  ) (resid  19 and name HN   )  5.27  3.47  0.79
 assign (resid  18 and name HG1  ) (resid  19 and name HN   )  5.27  3.47  0.79
 assign (resid  19 and name HN   ) (resid  19 and name HB2  )  3.71  1.91  0.56
 assign (resid  19 and name HN   ) (resid  19 and name HB1  )  3.71  1.91  0.56
 assign (resid  19 and name HN   ) (resid  19 and name HD2  )  4.28  2.48  0.64
 assign (resid  19 and name HN   ) (resid  20 and name HN   )  3.08  1.28  0.46
 assign (resid  19 and name HB2  ) (resid  20 and name HN   )  4.25  2.45  0.64
 assign (resid  19 and name HB1  ) (resid  20 and name HN   )  4.25  2.45  0.64
 assign (resid  19 and name HD2  ) (resid  20 and name HN   )  5.27  3.47  0.79
 assign (resid  20 and name HN   ) (resid  20 and name HA   )  2.66  0.86  0.40
 assign (resid  20 and name HN   ) (resid  20 and name HB2  )  3.57  1.77  0.54
 assign (resid  20 and name HN   ) (resid  20 and name HB1  )  3.57  1.77  0.54
 assign (resid  20 and name HN   ) (resid  21 and name HN   )  3.11  1.31  0.47
 assign (resid  20 and name HA   ) (resid  21 and name HN   )  3.03  1.23  0.45
 assign (resid  20 and name HB2  ) (resid  21 and name HN   )  4.65  2.85  0.70
 assign (resid  20 and name HB1  ) (resid  21 and name HN   )  4.65  2.85  0.70
 assign (resid  21 and name HN   ) (resid  21 and name HB2  )  3.01  1.21  0.45
 assign (resid  21 and name HA   ) (resid  21 and name HD21 )  4.87  3.07  0.73
 assign (resid  21 and name HN   ) (resid  21 and name HD22 )  5.54  3.74  0.83
 assign (resid  21 and name HA   ) (resid  21 and name HD22 )  4.78  2.98  0.72
 assign (resid  21 and name HB1  ) (resid  21 and name HD22 )  3.78  1.98  0.57
 assign (resid  21 and name HN   ) (resid  22 and name HN   )  3.28  1.48  0.49
 assign (resid  21 and name HA   ) (resid  22 and name HN   )  2.91  1.11  0.44
 assign (resid  21 and name HB2  ) (resid  22 and name HN   )  4.32  2.52  0.65
 assign (resid  22 and name HN   ) (resid  23 and name HN   )  3.78  1.98  0.57
 assign (resid  22 and name HB*  ) (resid  23 and name HN   )  3.52  1.72  0.53
 assign (resid  23 and name HN   ) (resid  24 and name HN   )  3.75  1.95  0.56
 assign (resid  22 and name HN   ) (resid  24 and name HN   )  4.68  2.88  0.70
 assign (resid  22 and name HA   ) (resid  24 and name HN   )  4.60  2.80  0.69
 assign (resid  23 and name HB2  ) (resid  24 and name HN   )  4.48  2.68  0.67
 assign (resid  23 and name HB1  ) (resid  24 and name HN   )  4.48  2.68  0.67
 assign (resid  24 and name HN   ) (resid  24 and name HB1  )  3.51  1.71  0.53
 assign (resid  24 and name HN   ) (resid  24 and name HB2  )  3.20  1.40  0.48
 assign (resid  24 and name HN   ) (resid  24 and name HG1  )  3.77  1.97  0.57
 assign (resid  24 and name HN   ) (resid  24 and name HG2  )  3.42  1.62  0.51
 assign (resid  24 and name HN   ) (resid  24 and name HD2  )  5.12  3.32  0.77
 assign (resid  22 and name HA   ) (resid  25 and name HN   )  3.61  1.81  0.54
 assign (resid  23 and name HN   ) (resid  25 and name HN   )  4.83  3.03  0.72
 assign (resid  23 and name HA   ) (resid  25 and name HN   )  4.78  2.98  0.72
 assign (resid  24 and name HN   ) (resid  25 and name HN   )  3.18  1.38  0.48
 assign (resid  24 and name HB1  ) (resid  25 and name HN   )  3.59  1.79  0.54
 assign (resid  24 and name HB2  ) (resid  25 and name HN   )  3.51  1.71  0.53
 assign (resid  24 and name HG1  ) (resid  25 and name HN   )  4.80  3.00  0.72
 assign (resid  24 and name HG2  ) (resid  25 and name HN   )  4.44  2.64  0.67
 assign (resid  25 and name HN   ) (resid  25 and name HB*  )  2.84  1.04  0.43
 assign (resid  25 and name HN   ) (resid  26 and name HN   )  3.31  1.51  0.50
 assign (resid  25 and name HN   ) (resid  27 and name HN   )  4.67  2.87  0.70
 assign (resid  22 and name HA   ) (resid  26 and name HN   )  4.00  2.20  0.60
 assign (resid  23 and name HA   ) (resid  26 and name HN   )  3.85  2.05  0.58
 assign (resid  24 and name HN   ) (resid  26 and name HN   )  4.62  2.82  0.69
 assign (resid  24 and name HA   ) (resid  26 and name HN   )  4.53  2.73  0.68
 assign (resid  25 and name HB*  ) (resid  26 and name HN   )  3.13  1.33  0.47
 assign (resid  26 and name HN   ) (resid  26 and name HB2  )  3.13  1.33  0.47
 assign (resid  26 and name HN   ) (resid  26 and name HB1  )  3.19  1.39  0.48
 assign (resid  26 and name HN   ) (resid  26 and name HG   )  4.77  2.97  0.72
 assign (resid  26 and name HN   ) (resid  26 and name HD2* )  3.76  1.96  0.56
 assign (resid  26 and name HN   ) (resid  28 and name HN   )  4.91  3.11  0.74
 assign (resid  23 and name HA   ) (resid  27 and name HN   )  5.21  3.41  0.78
 assign (resid  26 and name HN   ) (resid  27 and name HN   )  3.30  1.50  0.50
 assign (resid  26 and name HB2  ) (resid  27 and name HN   )  3.53  1.73  0.53
 assign (resid  26 and name HB1  ) (resid  27 and name HN   )  3.22  1.42  0.48
 assign (resid  26 and name HD1* ) (resid  27 and name HN   )  4.20  2.40  0.63
 assign (resid  27 and name HN   ) (resid  27 and name HB*  )  2.61  0.81  0.39
 assign (resid  27 and name HN   ) (resid  28 and name HN   )  3.24  1.44  0.49
 assign (resid  24 and name HA   ) (resid  28 and name HN   )  4.73  2.93  0.71
 assign (resid  25 and name HA   ) (resid  28 and name HN   )  4.14  2.34  0.62
 assign (resid  26 and name HA   ) (resid  28 and name HN   )  4.92  3.12  0.74
 assign (resid  27 and name HB*  ) (resid  28 and name HN   )  3.13  1.33  0.47
 assign (resid  28 and name HN   ) (resid  28 and name HB1  )  3.65  1.85  0.55
 assign (resid  28 and name HN   ) (resid  28 and name HB2  )  3.52  1.72  0.53
 assign (resid  28 and name HN   ) (resid  28 and name HG   )  3.06  1.26  0.46
 assign (resid  28 and name HN   ) (resid  28 and name HD1* )  3.48  1.68  0.52
 assign (resid  28 and name HN   ) (resid  28 and name HD2* )  3.43  1.63  0.51
 assign (resid  28 and name HN   ) (resid  30 and name HN   )  4.74  2.94  0.71
 assign (resid  25 and name HA   ) (resid  29 and name HN   )  4.66  2.86  0.70
 assign (resid  26 and name HA   ) (resid  29 and name HN   )  3.87  2.07  0.58
 assign (resid  27 and name HN   ) (resid  29 and name HN   )  4.84  3.04  0.73
 assign (resid  27 and name HA   ) (resid  29 and name HN   )  4.84  3.04  0.73
 assign (resid  28 and name HN   ) (resid  29 and name HN   )  3.30  1.50  0.50
 assign (resid  28 and name HB1  ) (resid  29 and name HN   )  3.58  1.78  0.54
 assign (resid  28 and name HB2  ) (resid  29 and name HN   )  3.84  2.04  0.58
 assign (resid  64 and name HN   ) (resid  67 and name HD1* )  3.67  1.87  0.55
 assign (resid  28 and name HD2* ) (resid  29 and name HN   )  4.68  2.88  0.70
 assign (resid  29 and name HN   ) (resid  29 and name HB1  )  3.75  1.95  0.56
 assign (resid  29 and name HN   ) (resid  29 and name HB2  )  3.33  1.53  0.50
 assign (resid  29 and name HN   ) (resid  29 and name HD*  )  3.72  1.92  0.56
 assign (resid  29 and name HN   ) (resid  30 and name HN   )  3.39  1.59  0.51
 assign (resid  29 and name HN   ) (resid  31 and name HN   )  4.55  2.75  0.68
 assign (resid  27 and name HA   ) (resid  30 and name HN   )  4.12  2.32  0.62
 assign (resid  28 and name HA   ) (resid  30 and name HN   )  5.28  3.48  0.79
 assign (resid  29 and name HB1  ) (resid  30 and name HN   )  4.35  2.55  0.65
 assign (resid  29 and name HB2  ) (resid  30 and name HN   )  4.07  2.27  0.61
 assign (resid  29 and name HD*  ) (resid  30 and name HN   )  4.81  3.01  0.72
 assign (resid  30 and name HN   ) (resid  30 and name HB1  )  3.75  1.95  0.56
 assign (resid  30 and name HN   ) (resid  30 and name HB2  )  3.28  1.48  0.49
 assign (resid  30 and name HN   ) (resid  30 and name HG1  )  3.70  1.90  0.56
 assign (resid  27 and name HA   ) (resid  31 and name HN   )  4.13  2.33  0.62
 assign (resid  28 and name HA   ) (resid  31 and name HN   )  4.05  2.25  0.61
 assign (resid  29 and name HA   ) (resid  31 and name HN   )  5.32  3.52  0.80
 assign (resid  30 and name HN   ) (resid  31 and name HN   )  3.32  1.52  0.50
 assign (resid  30 and name HB1  ) (resid  31 and name HN   )  3.76  1.96  0.56
 assign (resid  30 and name HB2  ) (resid  31 and name HN   )  2.90  1.10  0.44
 assign (resid  30 and name HG1  ) (resid  31 and name HN   )  4.38  2.58  0.66
 assign (resid  31 and name HN   ) (resid  31 and name HB1  )  3.03  1.23  0.45
 assign (resid  31 and name HN   ) (resid  31 and name HB2  )  2.93  1.13  0.44
 assign (resid  28 and name HA   ) (resid  32 and name HN   )  5.78  3.98  0.87
 assign (resid  30 and name HN   ) (resid  32 and name HN   )  4.82  3.02  0.72
 assign (resid  31 and name HN   ) (resid  32 and name HN   )  3.19  1.39  0.48
 assign (resid  31 and name HB1  ) (resid  32 and name HN   )  2.74  0.94  0.41
 assign (resid  51 and name HB2  ) (resid  52 and name HN   )  3.06  1.26  0.46
 assign (resid  32 and name HN   ) (resid  32 and name HG   )  3.15  1.35  0.47
 assign (resid  32 and name HN   ) (resid  32 and name HB2  )  3.11  1.31  0.47
 assign (resid  52 and name HN   ) (resid  52 and name HG1  )  5.00  3.20  0.75
 assign (resid  32 and name HN   ) (resid  32 and name HD2* )  3.58  1.78  0.54
 assign (resid  32 and name HN   ) (resid  32 and name HD1* )  3.43  1.63  0.51
 assign (resid  29 and name HA   ) (resid  33 and name HN   )  5.73  3.93  0.86
 assign (resid  30 and name HA   ) (resid  33 and name HN   )  4.14  2.34  0.62
 assign (resid  31 and name HN   ) (resid  33 and name HN   )  4.47  2.67  0.67
 assign (resid  31 and name HA   ) (resid  33 and name HN   )  4.62  2.82  0.69
 assign (resid  32 and name HN   ) (resid  33 and name HN   )  3.28  1.48  0.49
 assign (resid  32 and name HB1  ) (resid  33 and name HN   )  3.99  2.19  0.60
 assign (resid  32 and name HB2  ) (resid  33 and name HN   )  3.77  1.97  0.57
 assign (resid  32 and name HD2* ) (resid  33 and name HN   )  4.68  2.88  0.70
 assign (resid  32 and name HD1* ) (resid  33 and name HN   )  4.78  2.98  0.72
 assign (resid  33 and name HN   ) (resid  33 and name HB   )  2.99  1.19  0.45
 assign (resid  33 and name HN   ) (resid  33 and name HG2* )  2.84  1.04  0.43
 assign (resid  33 and name HN   ) (resid  35 and name HN   )  4.48  2.68  0.67
 assign (resid  30 and name HA   ) (resid  34 and name HN   )  5.03  3.23  0.75
 assign (resid  31 and name HA   ) (resid  34 and name HN   )  3.62  1.82  0.54
 assign (resid  32 and name HN   ) (resid  34 and name HN   )  4.39  2.59  0.66
 assign (resid  33 and name HN   ) (resid  34 and name HN   )  3.13  1.33  0.47
 assign (resid  33 and name HB   ) (resid  34 and name HN   )  3.36  1.56  0.50
 assign (resid  33 and name HG1* ) (resid  34 and name HN   )  3.71  1.91  0.56
 assign (resid  34 and name HN   ) (resid  34 and name HB1  )  3.03  1.23  0.45
 assign (resid  34 and name HN   ) (resid  34 and name HG2  )  3.15  1.35  0.47
 assign (resid  34 and name HN   ) (resid  34 and name HG1  )  3.57  1.77  0.54
 assign (resid  34 and name HN   ) (resid  35 and name HN   )  3.11  1.31  0.47
 assign (resid  33 and name HA   ) (resid  35 and name HN   )  6.18  4.38  0.93
 assign (resid  32 and name HA   ) (resid  35 and name HN   )  4.14  2.34  0.62
 assign (resid  34 and name HG2  ) (resid  35 and name HN   )  3.32  1.52  0.50
 assign (resid  34 and name HG1  ) (resid  35 and name HN   )  4.73  2.93  0.71
 assign (resid  35 and name HN   ) (resid  36 and name HN   )  3.23  1.43  0.48
 assign (resid  35 and name HB   ) (resid  36 and name HN   )  4.46  2.66  0.67
 assign (resid  35 and name HG2* ) (resid  36 and name HN   )  3.98  2.18  0.60
 assign (resid  36 and name HN   ) (resid  36 and name HB1  )  3.91  2.11  0.59
 assign (resid  36 and name HN   ) (resid  36 and name HB2  )  3.64  1.84  0.55
 assign (resid  38 and name HN   ) (resid  38 and name HB2  )  4.18  2.38  0.63
 assign (resid  38 and name HN   ) (resid  38 and name HB1  )  4.18  2.38  0.63
 assign (resid  37 and name HG1  ) (resid  38 and name HN   )  4.47  2.67  0.67
 assign (resid  37 and name HG2  ) (resid  38 and name HN   )  3.99  2.19  0.60
 assign (resid  38 and name HN   ) (resid  39 and name HN   )  3.36  1.56  0.50
 assign (resid  37 and name HA   ) (resid  39 and name HN   )  4.97  3.17  0.75
 assign (resid  38 and name HB2  ) (resid  39 and name HN   )  4.73  2.93  0.71
 assign (resid  38 and name HB1  ) (resid  39 and name HN   )  4.73  2.93  0.71
 assign (resid  39 and name HN   ) (resid  39 and name HB2  )  3.52  1.72  0.53
 assign (resid  39 and name HN   ) (resid  39 and name HB1  )  3.58  1.78  0.54
 assign (resid  39 and name HN   ) (resid  39 and name HD*  )  4.22  2.42  0.63
 assign (resid  39 and name HN   ) (resid  40 and name HN   )  4.44  2.64  0.67
 assign (resid  39 and name HA   ) (resid  40 and name HN   )  3.07  1.27  0.46
 assign (resid  39 and name HB2  ) (resid  40 and name HN   )  4.48  2.68  0.67
 assign (resid  39 and name HB1  ) (resid  40 and name HN   )  4.66  2.86  0.70
 assign (resid  39 and name HD*  ) (resid  40 and name HN   )  4.29  2.49  0.64
 assign (resid  39 and name HE*  ) (resid  40 and name HN   )  6.50  4.70  0.98
 assign (resid  40 and name HN   ) (resid  40 and name HB   )  3.07  1.27  0.46
 assign (resid  40 and name HN   ) (resid  40 and name HG1* )  3.68  1.88  0.55
 assign (resid  40 and name HN   ) (resid  40 and name HG2* )  3.28  1.48  0.49
 assign (resid  40 and name HN   ) (resid  41 and name HN   )  3.71  1.91  0.56
 assign (resid  40 and name HB   ) (resid  41 and name HN   )  3.82  2.02  0.57
 assign (resid  40 and name HG1* ) (resid  41 and name HN   )  3.45  1.65  0.52
 assign (resid  41 and name HN   ) (resid  43 and name HN   )  4.72  2.92  0.71
 assign (resid  40 and name HN   ) (resid  42 and name HN   )  4.22  2.42  0.63
 assign (resid  40 and name HA   ) (resid  42 and name HN   )  4.58  2.78  0.69
 assign (resid  41 and name HN   ) (resid  42 and name HN   )  3.41  1.61  0.51
 assign (resid  42 and name HN   ) (resid  42 and name HB   )  3.24  1.44  0.49
 assign (resid  42 and name HN   ) (resid  42 and name HG2* )  3.67  1.87  0.55
 assign (resid  42 and name HN   ) (resid  43 and name HN   )  3.33  1.53  0.50
 assign (resid  42 and name HN   ) (resid  44 and name HN   )  6.50  4.70  0.98
 assign (resid  40 and name HA   ) (resid  43 and name HN   )  4.12  2.32  0.62
 assign (resid  41 and name HA2  ) (resid  43 and name HN   )  5.31  3.51  0.80
 assign (resid  42 and name HB   ) (resid  43 and name HN   )  3.46  1.66  0.52
 assign (resid  43 and name HN   ) (resid  43 and name HB1  )  3.65  1.85  0.55
 assign (resid  43 and name HN   ) (resid  43 and name HD*  )  3.12  1.32  0.47
 assign (resid  43 and name HN   ) (resid  44 and name HN   )  3.86  2.06  0.58
 assign (resid  43 and name HN   ) (resid  45 and name HN   )  5.01  3.21  0.75
 assign (resid  40 and name HA   ) (resid  44 and name HN   )  6.18  4.38  0.93
 assign (resid  44 and name HN   ) (resid  45 and name HA   )  6.50  4.70  0.98
 assign (resid  44 and name HN   ) (resid  82 and name HA   )  6.50  4.70  0.98
 assign (resid  43 and name HB2  ) (resid  44 and name HN   )  4.49  2.69  0.67
 assign (resid  44 and name HN   ) (resid  44 and name HB2  )  3.93  2.13  0.59
 assign (resid  44 and name HN   ) (resid  44 and name HB1  )  3.93  2.13  0.59
 assign (resid  44 and name HN   ) (resid  44 and name HD*  )  4.42  2.62  0.66
 assign (resid  42 and name HA   ) (resid  45 and name HN   )  4.54  2.74  0.68
 assign (resid  43 and name HA   ) (resid  45 and name HN   )  5.38  3.58  0.81
 assign (resid  44 and name HN   ) (resid  45 and name HN   )  3.64  1.84  0.55
 assign (resid  44 and name HB2  ) (resid  45 and name HN   )  3.60  1.80  0.54
 assign (resid  44 and name HB1  ) (resid  45 and name HN   )  3.60  1.80  0.54
 assign (resid  44 and name HD*  ) (resid  45 and name HN   )  3.70  1.90  0.56
 assign (resid  44 and name HE*  ) (resid  45 and name HN   )  5.52  3.72  0.83
 assign (resid  45 and name HN   ) (resid  45 and name HB2  )  3.45  1.65  0.52
 assign (resid  45 and name HN   ) (resid  45 and name HB1  )  3.45  1.65  0.52
 assign (resid  45 and name HN   ) (resid  45 and name HD2  )  3.47  1.67  0.52
 assign (resid  45 and name HN   ) (resid  46 and name HN   )  3.23  1.43  0.48
 assign (resid  45 and name HN   ) (resid  47 and name HN   )  4.49  2.69  0.67
 assign (resid  42 and name HA   ) (resid  46 and name HN   )  4.37  2.57  0.66
 assign (resid  43 and name HA   ) (resid  46 and name HN   )  4.15  2.35  0.62
 assign (resid  44 and name HN   ) (resid  46 and name HN   )  5.02  3.22  0.75
 assign (resid  45 and name HB2  ) (resid  46 and name HN   )  4.03  2.23  0.60
 assign (resid  45 and name HB1  ) (resid  46 and name HN   )  4.03  2.23  0.60
 assign (resid  45 and name HD2  ) (resid  46 and name HN   )  4.48  2.68  0.67
 assign (resid  46 and name HN   ) (resid  46 and name HB2  )  3.43  1.63  0.51
 assign (resid  46 and name HN   ) (resid  46 and name HB1  )  3.43  1.63  0.51
 assign (resid  46 and name HN   ) (resid  46 and name HG   )  4.62  2.82  0.69
 assign (resid  46 and name HN   ) (resid  46 and name HD1* )  3.92  2.12  0.59
 assign (resid  46 and name HN   ) (resid  46 and name HD2* )  4.39  2.59  0.66
 assign (resid  46 and name HN   ) (resid  47 and name HN   )  3.27  1.47  0.49
 assign (resid  43 and name HA   ) (resid  47 and name HN   )  4.26  2.46  0.64
 assign (resid  44 and name HA   ) (resid  47 and name HN   )  4.77  2.97  0.72
 assign (resid  45 and name HA   ) (resid  47 and name HN   )  4.31  2.51  0.65
 assign (resid  46 and name HB2  ) (resid  47 and name HN   )  4.10  2.30  0.62
 assign (resid  46 and name HB1  ) (resid  47 and name HN   )  4.10  2.30  0.62
 assign (resid  46 and name HG   ) (resid  47 and name HN   )  4.30  2.50  0.65
 assign (resid  46 and name HD1* ) (resid  47 and name HN   )  4.64  2.84  0.70
 assign (resid  46 and name HD2* ) (resid  47 and name HN   )  4.15  2.35  0.62
 assign (resid  44 and name HA   ) (resid  48 and name HN   )  4.89  3.09  0.73
 assign (resid  45 and name HA   ) (resid  48 and name HN   )  3.65  1.85  0.55
 assign (resid  46 and name HN   ) (resid  48 and name HN   )  4.36  2.56  0.65
 assign (resid  46 and name HA   ) (resid  48 and name HN   )  5.34  3.54  0.80
 assign (resid  47 and name HN   ) (resid  48 and name HN   )  3.37  1.57  0.51
 assign (resid  48 and name HN   ) (resid  48 and name HB2  )  3.14  1.34  0.47
 assign (resid  48 and name HN   ) (resid  48 and name HB1  )  3.68  1.88  0.55
 assign (resid  48 and name HN   ) (resid  48 and name HG2  )  3.52  1.72  0.53
 assign (resid  48 and name HN   ) (resid  48 and name HG1  )  3.94  2.14  0.59
 assign (resid  48 and name HN   ) (resid  48 and name HD2  )  5.00  3.20  0.75
 assign (resid  48 and name HN   ) (resid  49 and name HN   )  3.28  1.48  0.49
 assign (resid  45 and name HA   ) (resid  49 and name HN   )  4.51  2.71  0.68
 assign (resid  46 and name HA   ) (resid  49 and name HN   )  3.93  2.13  0.59
 assign (resid  47 and name HA2  ) (resid  49 and name HN   )  5.11  3.31  0.77
 assign (resid  47 and name HA1  ) (resid  49 and name HN   )  4.83  3.03  0.72
 assign (resid  48 and name HB2  ) (resid  49 and name HN   )  3.52  1.72  0.53
 assign (resid  48 and name HG2  ) (resid  49 and name HN   )  4.31  2.51  0.65
 assign (resid  48 and name HG1  ) (resid  49 and name HN   )  5.20  3.40  0.78
 assign (resid  48 and name HD2  ) (resid  49 and name HN   )  5.19  3.39  0.78
 assign (resid  49 and name HN   ) (resid  49 and name HB2  )  2.99  1.19  0.45
 assign (resid  49 and name HN   ) (resid  49 and name HB1  )  2.94  1.14  0.44
 assign (resid  17 and name HD1* ) (resid  49 and name HN   )  4.74  2.94  0.71
 assign (resid  47 and name HN   ) (resid  49 and name HN   )  4.88  3.08  0.73
 assign (resid  46 and name HA   ) (resid  50 and name HN   )  4.54  2.74  0.68
 assign (resid  47 and name HA2  ) (resid  50 and name HN   )  4.42  2.62  0.66
 assign (resid  47 and name HA1  ) (resid  50 and name HN   )  5.01  3.21  0.75
 assign (resid  48 and name HN   ) (resid  50 and name HN   )  4.49  2.69  0.67
 assign (resid  48 and name HA   ) (resid  50 and name HN   )  4.40  2.60  0.66
 assign (resid  49 and name HN   ) (resid  50 and name HN   )  3.19  1.39  0.48
 assign (resid  49 and name HB2  ) (resid  50 and name HN   )  4.06  2.26  0.61
 assign (resid  49 and name HB1  ) (resid  50 and name HN   )  3.54  1.74  0.53
 assign (resid  49 and name HD1* ) (resid  50 and name HN   )  4.47  2.67  0.67
 assign (resid  50 and name HN   ) (resid  50 and name HB1  )  3.45  1.65  0.52
 assign (resid  50 and name HN   ) (resid  50 and name HB2  )  3.61  1.81  0.54
 assign (resid  50 and name HN   ) (resid  50 and name HD*  )  3.86  2.06  0.58
 assign (resid  50 and name HN   ) (resid  50 and name HE*  )  5.13  3.33  0.77
 assign (resid  50 and name HN   ) (resid  51 and name HN   )  3.38  1.58  0.51
 assign (resid  47 and name HA2  ) (resid  51 and name HN   )  5.00  3.20  0.75
 assign (resid  51 and name HN   ) (resid  56 and name HA   )  5.24  3.44  0.79
 assign (resid  49 and name HN   ) (resid  51 and name HN   )  4.39  2.59  0.66
 assign (resid  50 and name HB1  ) (resid  51 and name HN   )  4.17  2.37  0.63
 assign (resid  50 and name HB2  ) (resid  51 and name HN   )  4.42  2.62  0.66
 assign (resid  50 and name HD*  ) (resid  51 and name HN   )  4.48  2.68  0.67
 assign (resid  51 and name HN   ) (resid  63 and name HE*  )  5.89  4.09  0.88
 assign (resid   3 and name HD2  ) (resid   4 and name HN   )  3.46  1.66  0.52
 assign (resid  51 and name HN   ) (resid  51 and name HB2  )  3.25  1.45  0.49
 assign (resid   4 and name HN   ) (resid   4 and name HG2  )  3.83  2.03  0.57
 assign (resid  51 and name HN   ) (resid  51 and name HB1  )  4.13  2.33  0.62
 assign (resid  51 and name HN   ) (resid  51 and name HG1  )  3.37  1.57  0.51
 assign (resid  30 and name HA   ) (resid  32 and name HN   )  5.02  3.22  0.75
 assign (resid  48 and name HA   ) (resid  52 and name HN   )  5.52  3.72  0.83
 assign (resid  50 and name HN   ) (resid  52 and name HN   )  4.37  2.57  0.66
 assign (resid  50 and name HA   ) (resid  52 and name HN   )  4.57  2.77  0.69
 assign (resid  51 and name HN   ) (resid  52 and name HN   )  3.22  1.42  0.48
 assign (resid  14 and name HB2  ) (resid  15 and name HN   )  3.34  1.54  0.50
 assign (resid  51 and name HG1  ) (resid  52 and name HN   )  4.52  2.72  0.68
 assign (resid  52 and name HN   ) (resid  52 and name HA   )  2.92  1.12  0.44
 assign (resid  52 and name HN   ) (resid  52 and name HB2  )  2.78  0.98  0.42
 assign (resid  15 and name HN   ) (resid  15 and name HG1  )  5.00  3.20  0.75
 assign (resid  52 and name HN   ) (resid  53 and name HN   )  3.25  1.45  0.49
 assign (resid  52 and name HB1  ) (resid  53 and name HN   )  3.89  2.09  0.58
 assign (resid  52 and name HG2  ) (resid  53 and name HN   )  4.84  3.04  0.73
 assign (resid  53 and name HN   ) (resid  53 and name HG   )  2.93  1.13  0.44
 assign (resid  53 and name HN   ) (resid  53 and name HB2  )  3.42  1.62  0.51
 assign (resid  53 and name HN   ) (resid  53 and name HD2* )  3.53  1.73  0.53
 assign (resid  53 and name HN   ) (resid  53 and name HD1* )  3.60  1.80  0.54
 assign (resid  53 and name HN   ) (resid  54 and name HN   )  3.29  1.49  0.49
 assign (resid  53 and name HB1  ) (resid  54 and name HN   )  4.96  3.16  0.74
 assign (resid  53 and name HG   ) (resid  54 and name HN   )  5.34  3.54  0.80
 assign (resid  53 and name HD2* ) (resid  54 and name HN   )  4.43  2.63  0.66
 assign (resid  53 and name HD1* ) (resid  54 and name HN   )  5.68  3.88  0.85
 assign (resid  54 and name HN   ) (resid  54 and name HA   )  2.69  0.89  0.40
 assign (resid  54 and name HN   ) (resid  54 and name HB2  )  3.68  1.88  0.55
 assign (resid  54 and name HN   ) (resid  54 and name HB1  )  3.68  1.88  0.55
 assign (resid  54 and name HN   ) (resid  55 and name HN   )  3.05  1.25  0.46
 assign (resid  54 and name HA   ) (resid  55 and name HN   )  3.03  1.23  0.45
 assign (resid  54 and name HB2  ) (resid  55 and name HN   )  4.73  2.93  0.71
 assign (resid  54 and name HB1  ) (resid  55 and name HN   )  4.73  2.93  0.71
 assign (resid  55 and name HN   ) (resid  55 and name HB2  )  3.56  1.76  0.53
 assign (resid  55 and name HN   ) (resid  55 and name HG1  )  3.94  2.14  0.59
 assign (resid  55 and name HN   ) (resid  55 and name HG2  )  3.79  1.99  0.57
 assign (resid  55 and name HN   ) (resid  55 and name HD1  )  4.45  2.65  0.67
 assign (resid  55 and name HN   ) (resid  55 and name HD2  )  4.21  2.41  0.63
 assign (resid  55 and name HN   ) (resid  56 and name HN   )  3.59  1.79  0.54
 assign (resid  55 and name HA   ) (resid  56 and name HN   )  3.25  1.45  0.49
 assign (resid  55 and name HB2  ) (resid  56 and name HN   )  4.79  2.99  0.72
 assign (resid  55 and name HG2  ) (resid  56 and name HN   )  4.86  3.06  0.73
 assign (resid  55 and name HD2  ) (resid  56 and name HN   )  5.00  3.20  0.75
 assign (resid  56 and name HN   ) (resid  56 and name HB   )  3.13  1.33  0.47
 assign (resid  56 and name HN   ) (resid  56 and name HG2* )  3.56  1.76  0.53
 assign (resid  56 and name HN   ) (resid  57 and name HN   )  3.30  1.50  0.50
 assign (resid  56 and name HN   ) (resid  58 and name HN   )  4.71  2.91  0.71
 assign (resid  56 and name HB   ) (resid  57 and name HN   )  3.48  1.68  0.52
 assign (resid  56 and name HG2* ) (resid  57 and name HN   )  3.88  2.08  0.58
 assign (resid  57 and name HN   ) (resid  57 and name HB2  )  3.74  1.94  0.56
 assign (resid  57 and name HN   ) (resid  57 and name HB1  )  3.74  1.94  0.56
 assign (resid  57 and name HN   ) (resid  59 and name HN   )  4.04  2.24  0.61
 assign (resid  56 and name HA   ) (resid  58 and name HN   )  4.89  3.09  0.73
 assign (resid  57 and name HN   ) (resid  58 and name HN   )  3.15  1.35  0.47
 assign (resid  57 and name HB2  ) (resid  58 and name HN   )  3.59  1.79  0.54
 assign (resid  57 and name HB1  ) (resid  58 and name HN   )  3.59  1.79  0.54
 assign (resid  58 and name HN   ) (resid  58 and name HB2  )  3.51  1.71  0.53
 assign (resid  58 and name HN   ) (resid  58 and name HB1  )  3.35  1.55  0.50
 assign (resid  58 and name HN   ) (resid  60 and name HN   )  4.38  2.58  0.66
 assign (resid  56 and name HA   ) (resid  59 and name HN   )  3.58  1.78  0.54
 assign (resid  57 and name HA   ) (resid  59 and name HN   )  4.42  2.62  0.66
 assign (resid  58 and name HN   ) (resid  59 and name HN   )  3.14  1.34  0.47
 assign (resid  58 and name HB2  ) (resid  59 and name HN   )  3.67  1.87  0.55
 assign (resid  58 and name HB1  ) (resid  59 and name HN   )  3.39  1.59  0.51
 assign (resid  59 and name HN   ) (resid  59 and name HB*  )  2.81  1.01  0.42
 assign (resid  59 and name HN   ) (resid  60 and name HN   )  3.48  1.68  0.52
 assign (resid  59 and name HN   ) (resid  61 and name HN   )  4.44  2.64  0.67
 assign (resid  57 and name HA   ) (resid  60 and name HN   )  3.90  2.10  0.59
 assign (resid  58 and name HA   ) (resid  60 and name HN   )  5.06  3.26  0.76
 assign (resid  59 and name HB*  ) (resid  60 and name HN   )  3.16  1.36  0.47
 assign (resid  60 and name HN   ) (resid  60 and name HG12 )  2.98  1.18  0.45
 assign (resid  60 and name HN   ) (resid  60 and name HG11 )  3.63  1.83  0.54
 assign (resid  60 and name HN   ) (resid  60 and name HD1* )  3.41  1.61  0.51
 assign (resid  60 and name HN   ) (resid  61 and name HN   )  3.41  1.61  0.51
 assign (resid  57 and name HA   ) (resid  61 and name HN   )  4.90  3.10  0.74
 assign (resid  58 and name HA   ) (resid  61 and name HN   )  3.71  1.91  0.56
 assign (resid  59 and name HA   ) (resid  61 and name HN   )  6.18  4.38  0.93
 assign (resid  60 and name HB   ) (resid  61 and name HN   )  3.25  1.45  0.49
 assign (resid  60 and name HG2* ) (resid  61 and name HN   )  3.57  1.77  0.54
 assign (resid  60 and name HG11 ) (resid  61 and name HN   )  4.91  3.11  0.74
 assign (resid  60 and name HD1* ) (resid  61 and name HN   )  4.42  2.62  0.66
 assign (resid  61 and name HN   ) (resid  61 and name HB2  )  3.10  1.30  0.47
 assign (resid  61 and name HN   ) (resid  62 and name HN   )  3.13  1.33  0.47
 assign (resid  58 and name HA   ) (resid  62 and name HN   )  4.53  2.73  0.68
 assign (resid  59 and name HA   ) (resid  62 and name HN   )  4.34  2.54  0.65
 assign (resid  60 and name HN   ) (resid  62 and name HN   )  4.29  2.49  0.64
 assign (resid  47 and name HA1  ) (resid  62 and name HN   )  5.83  4.03  0.87
 assign (resid  60 and name HA   ) (resid  62 and name HN   )  6.04  4.24  0.91
 assign (resid  61 and name HB1  ) (resid  62 and name HN   )  3.28  1.48  0.49
 assign (resid  62 and name HN   ) (resid  62 and name HB   )  3.19  1.39  0.48
 assign (resid  62 and name HN   ) (resid  62 and name HG2* )  3.91  2.11  0.59
 assign (resid  62 and name HN   ) (resid  64 and name HN   )  4.34  2.54  0.65
 assign (resid  59 and name HA   ) (resid  63 and name HN   )  4.69  2.89  0.70
 assign (resid  60 and name HA   ) (resid  63 and name HN   )  3.94  2.14  0.59
 assign (resid  61 and name HN   ) (resid  63 and name HN   )  4.48  2.68  0.67
 assign (resid  61 and name HA   ) (resid  63 and name HN   )  4.54  2.74  0.68
 assign (resid  62 and name HN   ) (resid  63 and name HN   )  3.11  1.31  0.47
 assign (resid  62 and name HB   ) (resid  63 and name HN   )  3.42  1.62  0.51
 assign (resid  62 and name HG2* ) (resid  63 and name HN   )  3.58  1.78  0.54
 assign (resid  63 and name HN   ) (resid  63 and name HB1  )  3.80  2.00  0.57
 assign (resid  63 and name HN   ) (resid  63 and name HB2  )  3.54  1.74  0.53
 assign (resid  63 and name HN   ) (resid  63 and name HD*  )  4.34  2.54  0.65
 assign (resid  63 and name HN   ) (resid  63 and name HE*  )  4.77  2.97  0.72
 assign (resid  63 and name HN   ) (resid  64 and name HN   )  3.29  1.49  0.49
 assign (resid  61 and name HA   ) (resid  64 and name HN   )  3.93  2.13  0.59
 assign (resid  63 and name HB1  ) (resid  64 and name HN   )  4.19  2.39  0.63
 assign (resid  63 and name HB2  ) (resid  64 and name HN   )  3.72  1.92  0.56
 assign (resid  63 and name HD*  ) (resid  64 and name HN   )  5.74  3.94  0.86
 assign (resid  64 and name HN   ) (resid  64 and name HB*  )  2.80  1.00  0.42
 assign (resid  61 and name HA   ) (resid  65 and name HN   )  4.56  2.76  0.68
 assign (resid  62 and name HA   ) (resid  65 and name HN   )  3.94  2.14  0.59
 assign (resid  63 and name HN   ) (resid  65 and name HN   )  4.40  2.60  0.66
 assign (resid  63 and name HA   ) (resid  65 and name HN   )  4.76  2.96  0.71
 assign (resid  64 and name HN   ) (resid  65 and name HN   )  3.16  1.36  0.47
 assign (resid  64 and name HB*  ) (resid  65 and name HN   )  2.85  1.05  0.43
 assign (resid  65 and name HN   ) (resid  65 and name HA   )  2.94  1.14  0.44
 assign (resid  65 and name HN   ) (resid  65 and name HB2  )  2.93  1.13  0.44
 assign (resid  65 and name HN   ) (resid  65 and name HG2  )  4.00  2.20  0.60
 assign (resid  65 and name HN   ) (resid  65 and name HE21 )  4.69  2.89  0.70
 assign (resid  65 and name HN   ) (resid  66 and name HN   )  3.19  1.39  0.48
 assign (resid  65 and name HN   ) (resid  67 and name HN   )  4.50  2.70  0.68
 assign (resid  65 and name HB2  ) (resid  65 and name HE21 )  6.18  4.38  0.93
 assign (resid  65 and name HE21 ) (resid  68 and name HG1  )  6.50  4.70  0.98
 assign (resid  65 and name HA   ) (resid  65 and name HE22 )  6.31  4.51  0.95
 assign (resid  65 and name HE22 ) (resid  68 and name HG1  )  6.00  4.20  0.90
 assign (resid  65 and name HB1  ) (resid  65 and name HE22 )  5.19  3.39  0.78
 assign (resid  65 and name HG2  ) (resid  65 and name HE22 )  3.76  1.96  0.56
 assign (resid  62 and name HA   ) (resid  66 and name HN   )  4.62  2.82  0.69
 assign (resid  63 and name HA   ) (resid  66 and name HN   )  4.42  2.62  0.66
 assign (resid  64 and name HN   ) (resid  66 and name HN   )  4.60  2.80  0.69
 assign (resid  65 and name HB2  ) (resid  66 and name HN   )  3.70  1.90  0.56
 assign (resid  65 and name HB1  ) (resid  66 and name HN   )  3.65  1.85  0.55
 assign (resid  65 and name HE21 ) (resid  66 and name HN   )  4.73  2.93  0.71
 assign (resid  66 and name HN   ) (resid  68 and name HN   )  4.65  2.85  0.70
 assign (resid  63 and name HA   ) (resid  67 and name HN   )  5.01  3.21  0.75
 assign (resid  64 and name HA   ) (resid  67 and name HN   )  3.76  1.96  0.56
 assign (resid  66 and name HN   ) (resid  67 and name HN   )  3.55  1.75  0.53
 assign (resid  67 and name HN   ) (resid  67 and name HB   )  2.99  1.19  0.45
 assign (resid  67 and name HN   ) (resid  67 and name HG2* )  3.75  1.95  0.56
 assign (resid  67 and name HN   ) (resid  67 and name HG11 )  3.31  1.51  0.50
 assign (resid  67 and name HN   ) (resid  82 and name HD1* )  2.96  1.16  0.44
 assign (resid  65 and name HA   ) (resid  68 and name HN   )  3.89  2.09  0.58
 assign (resid  66 and name HA1  ) (resid  68 and name HN   )  5.19  3.39  0.78
 assign (resid  66 and name HA2  ) (resid  68 and name HN   )  4.57  2.77  0.69
 assign (resid  67 and name HN   ) (resid  68 and name HN   )  3.35  1.55  0.50
 assign (resid  67 and name HB   ) (resid  68 and name HN   )  3.19  1.39  0.48
 assign (resid  67 and name HG2* ) (resid  68 and name HN   )  3.32  1.52  0.50
 assign (resid  67 and name HG11 ) (resid  68 and name HN   )  4.84  3.04  0.73
 assign (resid  67 and name HD1* ) (resid  68 and name HN   )  4.43  2.63  0.66
 assign (resid  68 and name HN   ) (resid  68 and name HB2  )  3.06  1.26  0.46
 assign (resid  68 and name HN   ) (resid  68 and name HG1  )  3.14  1.34  0.47
 assign (resid  68 and name HN   ) (resid  68 and name HG2  )  3.47  1.67  0.52
 assign (resid  68 and name HN   ) (resid  69 and name HN   )  3.10  1.30  0.47
 assign (resid  68 and name HN   ) (resid  70 and name HN   )  4.23  2.43  0.63
 assign (resid  65 and name HA   ) (resid  69 and name HN   )  5.21  3.41  0.78
 assign (resid  66 and name HA1  ) (resid  69 and name HN   )  4.86  3.06  0.73
 assign (resid  66 and name HA2  ) (resid  69 and name HN   )  4.19  2.39  0.63
 assign (resid  67 and name HN   ) (resid  69 and name HN   )  4.59  2.79  0.69
 assign (resid  67 and name HA   ) (resid  69 and name HN   )  5.03  3.23  0.75
 assign (resid  68 and name HB2  ) (resid  69 and name HN   )  3.18  1.38  0.48
 assign (resid  69 and name HN   ) (resid  69 and name HG1* )  3.80  2.00  0.57
 assign (resid  69 and name HN   ) (resid  69 and name HG2* )  2.72  0.92  0.41
 assign (resid  69 and name HN   ) (resid  70 and name HN   )  3.18  1.38  0.48
 assign (resid  69 and name HN   ) (resid  71 and name HN   )  4.54  2.74  0.68
 assign (resid  66 and name HA1  ) (resid  70 and name HN   )  6.50  4.70  0.98
 assign (resid  66 and name HA2  ) (resid  70 and name HN   )  5.30  3.50  0.80
 assign (resid  67 and name HA   ) (resid  70 and name HN   )  4.31  2.51  0.65
 assign (resid  68 and name HA   ) (resid  70 and name HN   )  5.14  3.34  0.77
 assign (resid  69 and name HB   ) (resid  70 and name HN   )  3.96  2.16  0.59
 assign (resid  40 and name HG2* ) (resid  70 and name HN   )  3.70  1.90  0.56
 assign (resid  70 and name HN   ) (resid  70 and name HB*  )  3.01  1.21  0.45
 assign (resid  70 and name HN   ) (resid  71 and name HN   )  3.53  1.73  0.53
 assign (resid  70 and name HN   ) (resid  72 and name HN   )  4.03  2.23  0.60
 assign (resid  68 and name HA   ) (resid  71 and name HN   )  4.40  2.60  0.66
 assign (resid  69 and name HA   ) (resid  71 and name HN   )  5.96  4.16  0.89
 assign (resid  71 and name HN   ) (resid  71 and name HB2  )  3.62  1.82  0.54
 assign (resid  71 and name HN   ) (resid  71 and name HG1  )  3.71  1.91  0.56
 assign (resid  71 and name HN   ) (resid  71 and name HG2  )  3.98  2.18  0.60
 assign (resid  71 and name HN   ) (resid  72 and name HN   )  3.51  1.71  0.53
 assign (resid  68 and name HA   ) (resid  72 and name HN   )  5.09  3.29  0.76
 assign (resid  70 and name HA   ) (resid  72 and name HN   )  4.88  3.08  0.73
 assign (resid  71 and name HG1  ) (resid  72 and name HN   )  3.67  1.87  0.55
 assign (resid  72 and name HN   ) (resid  72 and name HB2  )  3.46  1.66  0.52
 assign (resid  72 and name HN   ) (resid  72 and name HB1  )  3.64  1.84  0.55
 assign (resid  72 and name HN   ) (resid  73 and name HG2  )  4.80  3.00  0.72
 assign (resid  72 and name HN   ) (resid  73 and name HN   )  3.06  1.26  0.46
 assign (resid  72 and name HB2  ) (resid  73 and name HN   )  3.61  1.81  0.54
 assign (resid  72 and name HB1  ) (resid  73 and name HN   )  3.64  1.84  0.55
 assign (resid  73 and name HN   ) (resid  73 and name HB1  )  3.76  1.96  0.56
 assign (resid  73 and name HN   ) (resid  73 and name HB2  )  3.42  1.62  0.51
 assign (resid  73 and name HN   ) (resid  73 and name HG2  )  3.29  1.49  0.49
 assign (resid  73 and name HN   ) (resid  73 and name HG1  )  3.68  1.88  0.55
 assign (resid  73 and name HN   ) (resid  74 and name HN   )  2.86  1.06  0.43
 assign (resid  73 and name HA   ) (resid  74 and name HN   )  3.56  1.76  0.53
 assign (resid  73 and name HB1  ) (resid  74 and name HN   )  3.94  2.14  0.59
 assign (resid  73 and name HB2  ) (resid  74 and name HN   )  4.02  2.22  0.60
 assign (resid  73 and name HG2  ) (resid  74 and name HN   )  4.04  2.24  0.61
 assign (resid  73 and name HG1  ) (resid  74 and name HN   )  4.76  2.96  0.71
 assign (resid  74 and name HN   ) (resid  74 and name HA1  )  2.85  1.05  0.43
 assign (resid  74 and name HN   ) (resid  75 and name HN   )  4.25  2.45  0.64
 assign (resid  75 and name HN   ) (resid  76 and name HN   )  4.51  2.71  0.68
 assign (resid  75 and name HB   ) (resid  76 and name HN   )  3.78  1.98  0.57
 assign (resid  76 and name HN   ) (resid  76 and name HB2  )  3.70  1.90  0.56
 assign (resid  76 and name HN   ) (resid  76 and name HB1  )  4.06  2.26  0.61
 assign (resid  76 and name HA   ) (resid  76 and name HE21 )  5.40  3.60  0.81
 assign (resid  76 and name HB2  ) (resid  76 and name HE21 )  6.50  4.70  0.98
 assign (resid  76 and name HA   ) (resid  76 and name HE22 )  5.40  3.60  0.81
 assign (resid  76 and name HB2  ) (resid  76 and name HE22 )  6.50  4.70  0.98
 assign (resid  76 and name HN   ) (resid  77 and name HN   )  4.57  2.77  0.69
 assign (resid  76 and name HB1  ) (resid  77 and name HN   )  3.95  2.15  0.59
 assign (resid  76 and name HG2  ) (resid  77 and name HN   )  5.62  3.82  0.84
 assign (resid  76 and name HG1  ) (resid  77 and name HN   )  5.62  3.82  0.84
 assign (resid  77 and name HN   ) (resid  77 and name HB1  )  3.77  1.97  0.57
 assign (resid  77 and name HN   ) (resid  77 and name HB2  )  3.61  1.81  0.54
 assign (resid  77 and name HN   ) (resid  77 and name HG1  )  5.08  3.28  0.76
 assign (resid  77 and name HN   ) (resid  77 and name HG2  )  4.71  2.91  0.71
 assign (resid  76 and name HN   ) (resid  78 and name HN   )  4.99  3.19  0.75
 assign (resid  76 and name HA   ) (resid  78 and name HN   )  4.47  2.67  0.67
 assign (resid  77 and name HN   ) (resid  78 and name HN   )  3.74  1.94  0.56
 assign (resid  77 and name HB1  ) (resid  78 and name HN   )  3.50  1.70  0.53
 assign (resid  77 and name HB2  ) (resid  78 and name HN   )  3.68  1.88  0.55
 assign (resid  70 and name HB*  ) (resid  78 and name HN   )  4.27  2.47  0.64
 assign (resid  77 and name HG2  ) (resid  78 and name HN   )  4.07  2.27  0.61
 assign (resid  78 and name HN   ) (resid  78 and name HB1  )  3.56  1.76  0.53
 assign (resid  78 and name HN   ) (resid  78 and name HB2  )  3.46  1.66  0.52
 assign (resid  78 and name HN   ) (resid  79 and name HN   )  3.32  1.52  0.50
 assign (resid  78 and name HN   ) (resid  80 and name HN   )  4.20  2.40  0.63
 assign (resid  77 and name HN   ) (resid  79 and name HN   )  4.45  2.65  0.67
 assign (resid  77 and name HA   ) (resid  79 and name HN   )  5.25  3.45  0.79
 assign (resid  78 and name HB1  ) (resid  79 and name HN   )  3.73  1.93  0.56
 assign (resid  78 and name HB2  ) (resid  79 and name HN   )  3.57  1.77  0.54
 assign (resid  79 and name HN   ) (resid  79 and name HB2  )  3.33  1.53  0.50
 assign (resid  79 and name HN   ) (resid  79 and name HB1  )  3.24  1.44  0.49
 assign (resid  79 and name HN   ) (resid  79 and name HG   )  4.35  2.55  0.65
 assign (resid  79 and name HN   ) (resid  79 and name HD2* )  4.17  2.37  0.63
 assign (resid  79 and name HN   ) (resid  80 and name HN   )  3.19  1.39  0.48
 assign (resid  79 and name HB2  ) (resid  80 and name HN   )  4.26  2.46  0.64
 assign (resid  79 and name HB1  ) (resid  80 and name HN   )  3.26  1.46  0.49
 assign (resid  79 and name HG   ) (resid  80 and name HN   )  3.89  2.09  0.58
 assign (resid  79 and name HD2* ) (resid  80 and name HN   )  4.25  2.45  0.64
 assign (resid  79 and name HD1* ) (resid  80 and name HN   )  4.62  2.82  0.69
 assign (resid  79 and name HN   ) (resid  81 and name HN   )  4.64  2.84  0.70
 assign (resid  79 and name HA   ) (resid  81 and name HN   )  5.14  3.34  0.77
 assign (resid  80 and name HN   ) (resid  81 and name HN   )  3.19  1.39  0.48
 assign (resid  78 and name HA   ) (resid  81 and name HN   )  3.71  1.91  0.56
 assign (resid  81 and name HN   ) (resid  81 and name HA   )  2.93  1.13  0.44
 assign (resid  81 and name HN   ) (resid  81 and name HB2  )  2.96  1.16  0.44
 assign (resid  81 and name HN   ) (resid  82 and name HN   )  3.23  1.43  0.48
 assign (resid  81 and name HN   ) (resid  83 and name HN   )  4.17  2.37  0.63
 assign (resid  80 and name HN   ) (resid  82 and name HN   )  5.25  3.45  0.79
 assign (resid  78 and name HA   ) (resid  82 and name HN   )  5.04  3.24  0.76
 assign (resid  81 and name HB2  ) (resid  82 and name HN   )  3.72  1.92  0.56
 assign (resid  82 and name HN   ) (resid  82 and name HB2  )  3.30  1.50  0.50
 assign (resid  82 and name HN   ) (resid  82 and name HB1  )  4.14  2.34  0.62
 assign (resid  82 and name HN   ) (resid  82 and name HG   )  3.22  1.42  0.48
 assign (resid  82 and name HN   ) (resid  82 and name HD1* )  3.79  1.99  0.57
 assign (resid  82 and name HN   ) (resid  84 and name HN   )  4.31  2.51  0.65
 assign (resid  79 and name HA   ) (resid  83 and name HN   )  4.50  2.70  0.68
 assign (resid  80 and name HA   ) (resid  83 and name HN   )  3.91  2.11  0.59
 assign (resid  81 and name HA   ) (resid  83 and name HN   )  4.94  3.14  0.74
 assign (resid  82 and name HN   ) (resid  83 and name HN   )  3.43  1.63  0.51
 assign (resid  82 and name HB2  ) (resid  83 and name HN   )  3.24  1.44  0.49
 assign (resid  82 and name HB1  ) (resid  83 and name HN   )  4.02  2.22  0.60
 assign (resid  82 and name HD2* ) (resid  83 and name HN   )  4.81  3.01  0.72
 assign (resid  83 and name HN   ) (resid  83 and name HB2  )  3.27  1.47  0.49
 assign (resid  83 and name HN   ) (resid  83 and name HB1  )  3.54  1.74  0.53
 assign (resid  83 and name HN   ) (resid  83 and name HG2  )  3.83  2.03  0.57
 assign (resid  83 and name HN   ) (resid  83 and name HG1  )  3.42  1.62  0.51
 assign (resid  83 and name HN   ) (resid  83 and name HE21 )  5.47  3.67  0.82
 assign (resid  83 and name HB2  ) (resid  83 and name HE21 )  4.08  2.28  0.61
 assign (resid  83 and name HB1  ) (resid  83 and name HE21 )  4.35  2.55  0.65
 assign (resid  83 and name HA   ) (resid  83 and name HE22 )  6.50  4.70  0.98
 assign (resid  83 and name HB2  ) (resid  83 and name HE22 )  4.54  2.74  0.68
 assign (resid  83 and name HB1  ) (resid  83 and name HE22 )  4.90  3.10  0.74
 assign (resid  80 and name HA   ) (resid  84 and name HN   )  3.93  2.13  0.59
 assign (resid  81 and name HA   ) (resid  84 and name HN   )  3.62  1.82  0.54
 assign (resid  83 and name HN   ) (resid  84 and name HN   )  3.24  1.44  0.49
 assign (resid  83 and name HB2  ) (resid  84 and name HN   )  3.44  1.64  0.52
 assign (resid  83 and name HB1  ) (resid  84 and name HN   )  3.42  1.62  0.51
 assign (resid  83 and name HG2  ) (resid  84 and name HN   )  5.05  3.25  0.76
 assign (resid  84 and name HN   ) (resid  84 and name HB2  )  3.10  1.30  0.47
 assign (resid  84 and name HN   ) (resid  84 and name HB1  )  2.96  1.16  0.44
 assign (resid  84 and name HN   ) (resid  86 and name HN   )  4.40  2.60  0.66
 assign (resid  81 and name HA   ) (resid  85 and name HN   )  4.01  2.21  0.60
 assign (resid  83 and name HN   ) (resid  85 and name HN   )  4.59  2.79  0.69
 assign (resid  82 and name HA   ) (resid  85 and name HN   )  3.53  1.73  0.53
 assign (resid  84 and name HN   ) (resid  85 and name HN   )  2.99  1.19  0.45
 assign (resid  84 and name HB1  ) (resid  85 and name HN   )  3.30  1.50  0.50
 assign (resid  85 and name HN   ) (resid  85 and name HB*  )  2.61  0.81  0.39
 assign (resid  85 and name HN   ) (resid  87 and name HN   )  4.33  2.53  0.65
 assign (resid  83 and name HA   ) (resid  86 and name HN   )  3.80  2.00  0.57
 assign (resid  85 and name HN   ) (resid  86 and name HN   )  3.18  1.38  0.48
 assign (resid  85 and name HB*  ) (resid  86 and name HN   )  2.99  1.19  0.45
 assign (resid  86 and name HN   ) (resid  86 and name HB2  )  3.67  1.87  0.55
 assign (resid  86 and name HN   ) (resid  86 and name HB1  )  3.27  1.47  0.49
 assign (resid  86 and name HN   ) (resid  86 and name HG2  )  3.81  2.01  0.57
 assign (resid  86 and name HN   ) (resid  86 and name HG1  )  3.41  1.61  0.51
 assign (resid  86 and name HN   ) (resid  86 and name HD2  )  3.95  2.15  0.59
 assign (resid  86 and name HN   ) (resid  86 and name HD1  )  4.72  2.92  0.71
 assign (resid  63 and name HB2  ) (resid  86 and name HN   )  4.57  2.77  0.69
 assign (resid  86 and name HN   ) (resid  87 and name HN   )  3.10  1.30  0.47
 assign (resid  86 and name HN   ) (resid  88 and name HN   )  4.24  2.44  0.64
 assign (resid  83 and name HA   ) (resid  87 and name HN   )  4.40  2.60  0.66
 assign (resid  86 and name HB2  ) (resid  87 and name HN   )  3.59  1.79  0.54
 assign (resid  86 and name HB1  ) (resid  87 and name HN   )  4.04  2.24  0.61
 assign (resid  86 and name HG2  ) (resid  87 and name HN   )  4.56  2.76  0.68
 assign (resid  86 and name HD1  ) (resid  87 and name HN   )  4.38  2.58  0.66
 assign (resid  86 and name HE1  ) (resid  87 and name HN   )  6.50  4.70  0.98
 assign (resid  87 and name HN   ) (resid  87 and name HB1  )  3.32  1.52  0.50
 assign (resid  86 and name HG1  ) (resid  87 and name HN   )  2.95  1.15  0.44
 assign (resid  87 and name HN   ) (resid  87 and name HD2* )  3.64  1.84  0.55
 assign (resid  84 and name HA   ) (resid  88 and name HN   )  4.34  2.54  0.65
 assign (resid  87 and name HN   ) (resid  88 and name HN   )  3.21  1.41  0.48
 assign (resid  87 and name HA   ) (resid  88 and name HN   )  3.56  1.76  0.53
 assign (resid  87 and name HG   ) (resid  88 and name HN   )  3.28  1.48  0.49
 assign (resid  87 and name HD1* ) (resid  88 and name HN   )  3.82  2.02  0.57
 assign (resid  88 and name HN   ) (resid  88 and name HB1  )  2.72  0.92  0.41
 assign (resid  88 and name HN   ) (resid  88 and name HG2  )  3.31  1.51  0.50
 assign (resid  88 and name HN   ) (resid  88 and name HG1  )  3.64  1.84  0.55
 assign (resid  87 and name HB1  ) (resid  88 and name HN   )  3.63  1.83  0.54
 assign (resid  88 and name HN   ) (resid  89 and name HN   )  3.06  1.26  0.46
 assign (resid  86 and name HA   ) (resid  89 and name HN   )  3.65  1.85  0.55
 assign (resid  87 and name HN   ) (resid  89 and name HN   )  4.24  2.44  0.64
 assign (resid  88 and name HG2  ) (resid  89 and name HN   )  3.87  2.07  0.58
 assign (resid  88 and name HG1  ) (resid  89 and name HN   )  3.81  2.01  0.57
 assign (resid  88 and name HD2  ) (resid  89 and name HN   )  4.13  2.33  0.62
 assign (resid  88 and name HD1  ) (resid  89 and name HN   )  5.00  3.20  0.75
 assign (resid  89 and name HN   ) (resid  89 and name HB*  )  2.74  0.94  0.41
 assign (resid  89 and name HN   ) (resid  90 and name HN   )  3.10  1.30  0.47
 assign (resid  86 and name HA   ) (resid  90 and name HN   )  4.59  2.79  0.69
 assign (resid  88 and name HN   ) (resid  90 and name HN   )  4.17  2.37  0.63
 assign (resid  88 and name HA   ) (resid  90 and name HN   )  4.75  2.95  0.71
 assign (resid  87 and name HA   ) (resid  90 and name HN   )  3.95  2.15  0.59
 assign (resid  89 and name HB*  ) (resid  90 and name HN   )  3.17  1.37  0.48
 assign (resid  90 and name HN   ) (resid  90 and name HG1  )  3.23  1.43  0.48
 assign (resid  90 and name HN   ) (resid  90 and name HB2  )  3.31  1.51  0.50
 assign (resid  90 and name HN   ) (resid  90 and name HG2  )  3.28  1.48  0.49
 assign (resid  90 and name HN   ) (resid  91 and name HN   )  2.93  1.13  0.44
 assign (resid  90 and name HB1  ) (resid  91 and name HN   )  4.10  2.30  0.62
 assign (resid  90 and name HB2  ) (resid  91 and name HN   )  3.96  2.16  0.59
 assign (resid  90 and name HG2  ) (resid  91 and name HN   )  4.40  2.60  0.66
 assign (resid  91 and name HN   ) (resid  92 and name HN   )  3.64  1.84  0.55
 assign (resid  91 and name HA2  ) (resid  92 and name HN   )  3.49  1.69  0.52
 assign (resid  91 and name HA1  ) (resid  92 and name HN   )  3.49  1.69  0.52
 assign (resid  92 and name HN   ) (resid  92 and name HB2  )  3.08  1.28  0.46
 assign (resid  92 and name HN   ) (resid  92 and name HG   )  2.62  0.82  0.39
 assign (resid  92 and name HN   ) (resid  92 and name HD2* )  3.58  1.78  0.54
 assign (resid  92 and name HN   ) (resid  92 and name HD1* )  3.66  1.86  0.55
 assign (resid  92 and name HN   ) (resid  93 and name HN   )  3.13  1.33  0.47
 assign (resid  92 and name HB2  ) (resid  93 and name HN   )  3.32  1.52  0.50
 assign (resid  92 and name HB1  ) (resid  93 and name HN   )  3.43  1.63  0.51
 assign (resid  93 and name HN   ) (resid  93 and name HG2  )  3.89  2.09  0.58
 assign (resid  93 and name HN   ) (resid  93 and name HG1  )  3.89  2.09  0.58
 assign (resid  94 and name HN   ) (resid  95 and name HN   )  4.69  2.89  0.70
 assign (resid  94 and name HB2  ) (resid  95 and name HN   )  4.85  3.05  0.73
 assign (resid  94 and name HB1  ) (resid  95 and name HN   )  4.85  3.05  0.73
 assign (resid   2 and name HN   ) (resid   3 and name HD2  )  5.02  3.22  0.75
 assign (resid   2 and name HN   ) (resid   3 and name HD1  )  4.69  2.89  0.70
 assign (resid   2 and name HN   ) (resid   5 and name HN   )  5.82  4.02  0.87
 assign (resid   3 and name HD2  ) (resid   5 and name HN   )  5.34  3.54  0.80
 assign (resid  17 and name HA   ) (resid  22 and name HN   )  3.78  1.98  0.57
 assign (resid  20 and name HA   ) (resid  22 and name HN   )  4.74  2.94  0.71
 assign (resid   5 and name HN   ) (resid   8 and name HG2* )  4.62  2.82  0.69
 assign (resid   5 and name HN   ) (resid   9 and name HN   )  6.08  4.28  0.91
 assign (resid   7 and name HN   ) (resid  10 and name HN   )  4.96  3.16  0.74
 assign (resid   7 and name HN   ) (resid  39 and name HE*  )  4.84  3.04  0.73
 assign (resid   7 and name HN   ) (resid  10 and name HB1  )  4.65  2.85  0.70
 assign (resid   7 and name HN   ) (resid   9 and name HD2  )  6.02  4.22  0.90
 assign (resid   7 and name HN   ) (resid   8 and name HG2* )  6.41  4.61  0.96
 assign (resid   7 and name HN   ) (resid  11 and name HB*  )  6.50  4.70  0.98
 assign (resid   7 and name HN   ) (resid  32 and name HD2* )  5.14  3.34  0.77
 assign (resid   5 and name HB1  ) (resid   7 and name HN   )  5.00  3.20  0.75
 assign (resid   9 and name HN   ) (resid   9 and name HE   )  5.45  3.65  0.82
 assign (resid   5 and name HB2  ) (resid   8 and name HN   )  4.06  2.26  0.61
 assign (resid   5 and name HB1  ) (resid   8 and name HN   )  4.23  2.43  0.63
 assign (resid   6 and name HA   ) (resid   9 and name HN   )  4.17  2.37  0.63
 assign (resid   8 and name HN   ) (resid   9 and name HG2  )  4.54  2.74  0.68
 assign (resid   8 and name HN   ) (resid   9 and name HB1  )  5.77  3.97  0.87
 assign (resid   9 and name HN   ) (resid  32 and name HD1* )  4.65  2.85  0.70
 assign (resid   9 and name HN   ) (resid  28 and name HD2* )  5.07  3.27  0.76
 assign (resid   9 and name HN   ) (resid  32 and name HD2* )  5.31  3.51  0.80
 assign (resid  10 and name HN   ) (resid  32 and name HD2* )  4.10  2.30  0.62
 assign (resid  10 and name HN   ) (resid  28 and name HD1* )  5.20  3.40  0.78
 assign (resid  10 and name HN   ) (resid  13 and name HB*  )  5.52  3.72  0.83
 assign (resid  11 and name HN   ) (resid  13 and name HB*  )  5.88  4.08  0.88
 assign (resid  11 and name HN   ) (resid  13 and name HN   )  4.23  2.43  0.63
 assign (resid  12 and name HN   ) (resid  13 and name HB*  )  4.49  2.69  0.67
 assign (resid  12 and name HN   ) (resid  15 and name HB2  )  6.09  4.29  0.91
 assign (resid  16 and name HN   ) (resid  17 and name HB2  )  4.91  3.11  0.74
 assign (resid  16 and name HN   ) (resid  17 and name HG   )  5.10  3.30  0.77
 assign (resid  16 and name HN   ) (resid  25 and name HB*  )  3.88  2.08  0.58
 assign (resid  16 and name HN   ) (resid  17 and name HD2* )  4.93  3.13  0.74
 assign (resid  12 and name HD1* ) (resid  16 and name HN   )  4.13  2.33  0.62
 assign (resid  13 and name HB*  ) (resid  15 and name HN   )  5.43  3.63  0.81
 assign (resid  17 and name HN   ) (resid  19 and name HN   )  4.82  3.02  0.72
 assign (resid  17 and name HA   ) (resid  19 and name HN   )  4.88  3.08  0.73
 assign (resid  16 and name HA   ) (resid  19 and name HN   )  4.15  2.35  0.62
 assign (resid  17 and name HB1  ) (resid  20 and name HN   )  6.01  4.21  0.90
 assign (resid  18 and name HB2  ) (resid  20 and name HN   )  6.50  4.70  0.98
 assign (resid  18 and name HB1  ) (resid  20 and name HN   )  6.50  4.70  0.98
 assign (resid  17 and name HA   ) (resid  20 and name HN   )  4.07  2.27  0.61
 assign (resid  18 and name HA   ) (resid  20 and name HN   )  4.07  2.27  0.61
 assign (resid  17 and name HD2* ) (resid  20 and name HN   )  5.39  3.59  0.81
 assign (resid  17 and name HD2* ) (resid  21 and name HN   )  5.00  3.20  0.75
 assign (resid  21 and name HN   ) (resid  22 and name HB*  )  4.44  2.64  0.67
 assign (resid  16 and name HE1  ) (resid  21 and name HD21 )  6.50  4.70  0.98
 assign (resid  16 and name HE1  ) (resid  21 and name HD22 )  6.50  4.70  0.98
 assign (resid  19 and name HN   ) (resid  21 and name HN   )  3.95  2.15  0.59
 assign (resid  21 and name HD21 ) (resid  24 and name HN   )  4.76  2.96  0.71
 assign (resid  21 and name HD22 ) (resid  24 and name HN   )  5.68  3.88  0.85
 assign (resid  16 and name HA   ) (resid  21 and name HN   )  4.05  2.25  0.61
 assign (resid  17 and name HA   ) (resid  21 and name HN   )  4.00  2.20  0.60
 assign (resid  16 and name HA   ) (resid  21 and name HD21 )  5.95  4.15  0.89
 assign (resid  16 and name HA   ) (resid  21 and name HD22 )  5.85  4.05  0.88
 assign (resid  21 and name HD21 ) (resid  24 and name HD2  )  6.50  4.70  0.98
 assign (resid  16 and name HB1  ) (resid  21 and name HD21 )  4.83  3.03  0.72
 assign (resid  21 and name HD22 ) (resid  24 and name HD2  )  6.50  4.70  0.98
 assign (resid  16 and name HB2  ) (resid  21 and name HD21 )  6.37  4.57  0.96
 assign (resid  21 and name HD21 ) (resid  24 and name HB2  )  4.40  2.60  0.66
 assign (resid  21 and name HD21 ) (resid  24 and name HG2  )  4.63  2.83  0.69
 assign (resid  21 and name HD22 ) (resid  24 and name HB2  )  5.29  3.49  0.79
 assign (resid  21 and name HD22 ) (resid  24 and name HG2  )  5.61  3.81  0.84
 assign (resid  21 and name HD22 ) (resid  24 and name HG1  )  4.82  3.02  0.72
 assign (resid  21 and name HD22 ) (resid  24 and name HB1  )  6.10  4.30  0.92
 assign (resid  21 and name HD21 ) (resid  24 and name HG1  )  4.38  2.58  0.66
 assign (resid  21 and name HD21 ) (resid  24 and name HB1  )  6.50  4.70  0.98
 assign (resid  22 and name HN   ) (resid  49 and name HD2* )  5.30  3.50  0.80
 assign (resid  13 and name HN   ) (resid  25 and name HB*  )  4.79  2.99  0.72
 assign (resid  22 and name HN   ) (resid  25 and name HB*  )  5.05  3.25  0.76
 assign (resid  13 and name HN   ) (resid  28 and name HB2  )  5.24  3.44  0.79
 assign (resid  17 and name HD2* ) (resid  23 and name HN   )  5.25  3.45  0.79
 assign (resid  21 and name HA   ) (resid  23 and name HN   )  4.49  2.69  0.67
 assign (resid  21 and name HA   ) (resid  24 and name HN   )  4.84  3.04  0.73
 assign (resid  24 and name HN   ) (resid  25 and name HB*  )  4.10  2.30  0.62
 assign (resid  22 and name HB*  ) (resid  24 and name HN   )  4.89  3.09  0.73
 assign (resid  21 and name HB1  ) (resid  24 and name HN   )  4.72  2.92  0.71
 assign (resid  24 and name HN   ) (resid  25 and name HA   )  5.49  3.69  0.82
 assign (resid  16 and name HD2  ) (resid  25 and name HN   )  5.34  3.54  0.80
 assign (resid  22 and name HN   ) (resid  25 and name HN   )  4.85  3.05  0.73
 assign (resid  16 and name HN   ) (resid  25 and name HN   )  6.00  4.20  0.90
 assign (resid  16 and name HB2  ) (resid  25 and name HN   )  3.99  2.19  0.60
 assign (resid  21 and name HB1  ) (resid  25 and name HN   )  5.11  3.31  0.77
 assign (resid  16 and name HB1  ) (resid  25 and name HN   )  4.20  2.40  0.63
 assign (resid  25 and name HN   ) (resid  28 and name HD1* )  4.79  2.99  0.72
 assign (resid  13 and name HB*  ) (resid  25 and name HN   )  5.47  3.67  0.82
 assign (resid  22 and name HB*  ) (resid  25 and name HN   )  4.61  2.81  0.69
 assign (resid  25 and name HN   ) (resid  26 and name HB2  )  4.64  2.84  0.70
 assign (resid  25 and name HN   ) (resid  28 and name HG   )  5.35  3.55  0.80
 assign (resid  25 and name HN   ) (resid  26 and name HB1  )  5.60  3.80  0.84
 assign (resid  26 and name HN   ) (resid  46 and name HD1* )  5.66  3.86  0.85
 assign (resid  26 and name HN   ) (resid  49 and name HD2* )  3.31  1.51  0.50
 assign (resid  26 and name HN   ) (resid  28 and name HG   )  5.56  3.76  0.83
 assign (resid  26 and name HN   ) (resid  49 and name HG   )  5.90  4.10  0.89
 assign (resid  27 and name HN   ) (resid  28 and name HD1* )  5.33  3.53  0.80
 assign (resid  27 and name HN   ) (resid  49 and name HD2* )  4.74  2.94  0.71
 assign (resid  27 and name HN   ) (resid  28 and name HB2  )  5.14  3.34  0.77
 assign (resid  25 and name HB*  ) (resid  27 and name HN   )  4.95  3.15  0.74
 assign (resid  27 and name HN   ) (resid  28 and name HG   )  4.70  2.90  0.70
 assign (resid  13 and name HB*  ) (resid  28 and name HN   )  4.09  2.29  0.61
 assign (resid  28 and name HN   ) (resid  29 and name HD*  )  5.97  4.17  0.90
 assign (resid  13 and name HB*  ) (resid  29 and name HN   )  4.16  2.36  0.62
 assign (resid  29 and name HN   ) (resid  46 and name HD1* )  4.17  2.37  0.63
 assign (resid  29 and name HN   ) (resid  32 and name HD1* )  4.83  3.03  0.72
 assign (resid  60 and name HG2* ) (resid  64 and name HN   )  5.06  3.26  0.76
 assign (resid  27 and name HB*  ) (resid  29 and name HN   )  4.93  3.13  0.74
 assign (resid  27 and name HB*  ) (resid  30 and name HN   )  4.79  2.99  0.72
 assign (resid  26 and name HD2* ) (resid  30 and name HN   )  6.50  4.70  0.98
 assign (resid  28 and name HD2* ) (resid  30 and name HN   )  6.50  4.70  0.98
 assign (resid  30 and name HN   ) (resid  32 and name HD2* )  6.50  4.70  0.98
 assign (resid  30 and name HN   ) (resid  33 and name HG2* )  4.76  2.96  0.71
 assign (resid  26 and name HD1* ) (resid  30 and name HN   )  4.63  2.83  0.69
 assign (resid  30 and name HN   ) (resid  46 and name HD1* )  4.09  2.29  0.61
 assign (resid  31 and name HN   ) (resid  34 and name HN   )  4.94  3.14  0.74
 assign (resid  29 and name HD*  ) (resid  31 and name HN   )  6.13  4.33  0.92
 assign (resid  29 and name HD*  ) (resid  32 and name HN   )  5.28  3.48  0.79
 assign (resid  31 and name HN   ) (resid  32 and name HG   )  4.69  2.89  0.70
 assign (resid  27 and name HB*  ) (resid  31 and name HN   )  4.65  2.85  0.70
 assign (resid  31 and name HN   ) (resid  32 and name HD2* )  6.50  4.70  0.98
 assign (resid  31 and name HN   ) (resid  33 and name HG2* )  6.50  4.70  0.98
 assign (resid  12 and name HD1* ) (resid  15 and name HN   )  4.95  3.15  0.74
 assign (resid  32 and name HN   ) (resid  42 and name HG2* )  4.11  2.31  0.62
 assign (resid  33 and name HN   ) (resid  42 and name HG2* )  3.71  1.91  0.56
 assign (resid  33 and name HN   ) (resid  36 and name HN   )  5.29  3.49  0.79
 assign (resid  33 and name HN   ) (resid  43 and name HE*  )  6.50  4.70  0.98
 assign (resid  34 and name HN   ) (resid  36 and name HN   )  4.10  2.30  0.62
 assign (resid  34 and name HN   ) (resid  35 and name HG2* )  4.35  2.55  0.65
 assign (resid  36 and name HN   ) (resid  37 and name HD1  )  4.50  2.70  0.68
 assign (resid  33 and name HA   ) (resid  36 and name HN   )  4.85  3.05  0.73
 assign (resid  36 and name HN   ) (resid  37 and name HD2  )  4.50  2.70  0.68
 assign (resid  36 and name HN   ) (resid  37 and name HA   )  5.19  3.39  0.78
 assign (resid  32 and name HD2* ) (resid  36 and name HN   )  5.29  3.49  0.79
 assign (resid  33 and name HG1* ) (resid  36 and name HN   )  5.72  3.92  0.86
 assign (resid  34 and name HG2  ) (resid  36 and name HN   )  4.64  2.84  0.70
 assign (resid  36 and name HA   ) (resid  38 and name HN   )  4.32  2.52  0.65
 assign (resid  38 and name HN   ) (resid  69 and name HG2* )  5.28  3.48  0.79
 assign (resid  39 and name HN   ) (resid  69 and name HG2* )  5.09  3.29  0.76
 assign (resid  36 and name HB1  ) (resid  39 and name HN   )  4.24  2.44  0.64
 assign (resid  36 and name HB2  ) (resid  39 and name HN   )  4.81  3.01  0.72
 assign (resid  42 and name HN   ) (resid  42 and name HG1  )  3.77  1.97  0.57
 assign (resid  10 and name HE*  ) (resid  42 and name HN   )  4.31  2.51  0.65
 assign (resid  39 and name HE*  ) (resid  42 and name HN   )  3.83  2.03  0.57
 assign (resid  39 and name HE*  ) (resid  41 and name HN   )  4.45  2.65  0.67
 assign (resid  39 and name HD*  ) (resid  41 and name HN   )  4.31  2.51  0.65
 assign (resid  39 and name HD*  ) (resid  42 and name HN   )  3.34  1.54  0.50
 assign (resid  40 and name HG2* ) (resid  42 and name HN   )  5.67  3.87  0.85
 assign (resid  40 and name HG1* ) (resid  42 and name HN   )  4.86  3.06  0.73
 assign (resid  40 and name HG2* ) (resid  43 and name HN   )  5.29  3.49  0.79
 assign (resid  33 and name HG2* ) (resid  43 and name HN   )  4.17  2.37  0.63
 assign (resid  40 and name HG1* ) (resid  43 and name HN   )  5.11  3.31  0.77
 assign (resid  43 and name HN   ) (resid  46 and name HB2  )  5.78  3.98  0.87
 assign (resid  43 and name HN   ) (resid  82 and name HD2* )  4.34  2.54  0.65
 assign (resid  43 and name HN   ) (resid  62 and name HG2* )  4.27  2.47  0.64
 assign (resid  42 and name HG1  ) (resid  43 and name HN   )  5.18  3.38  0.78
 assign (resid  44 and name HN   ) (resid  82 and name HD1* )  5.13  3.33  0.77
 assign (resid  10 and name HE*  ) (resid  45 and name HN   )  5.11  3.31  0.77
 assign (resid  45 and name HN   ) (resid  46 and name HB1  )  5.28  3.48  0.79
 assign (resid  45 and name HN   ) (resid  82 and name HD2* )  4.46  2.66  0.67
 assign (resid  45 and name HN   ) (resid  46 and name HB2  )  5.28  3.48  0.79
 assign (resid  29 and name HD*  ) (resid  46 and name HN   )  4.45  2.65  0.67
 assign (resid  46 and name HN   ) (resid  63 and name HE*  )  5.49  3.69  0.82
 assign (resid  29 and name HB1  ) (resid  46 and name HN   )  4.20  2.40  0.63
 assign (resid  42 and name HG2* ) (resid  46 and name HN   )  3.93  2.13  0.59
 assign (resid  46 and name HN   ) (resid  62 and name HG2* )  3.87  2.07  0.58
 assign (resid  46 and name HN   ) (resid  49 and name HB1  )  5.71  3.91  0.86
 assign (resid  47 and name HN   ) (resid  62 and name HG2* )  3.46  1.66  0.52
 assign (resid  47 and name HN   ) (resid  63 and name HD*  )  5.04  3.24  0.76
 assign (resid  47 and name HN   ) (resid  50 and name HD*  )  4.84  3.04  0.73
 assign (resid  48 and name HN   ) (resid  63 and name HE*  )  4.64  2.84  0.70
 assign (resid  44 and name HE*  ) (resid  48 and name HN   )  6.33  4.53  0.95
 assign (resid  48 and name HN   ) (resid  50 and name HD*  )  6.50  4.70  0.98
 assign (resid  26 and name HD1* ) (resid  49 and name HN   )  4.74  2.94  0.71
 assign (resid  46 and name HD1* ) (resid  49 and name HN   )  4.59  2.79  0.69
 assign (resid  26 and name HD1* ) (resid  50 and name HN   )  4.48  2.68  0.67
 assign (resid  46 and name HD1* ) (resid  50 and name HN   )  4.22  2.42  0.63
 assign (resid  50 and name HN   ) (resid  59 and name HB*  )  3.71  1.91  0.56
 assign (resid  51 and name HN   ) (resid  59 and name HB*  )  3.29  1.49  0.49
 assign (resid  49 and name HD1* ) (resid  53 and name HN   )  4.19  2.39  0.63
 assign (resid  53 and name HN   ) (resid  55 and name HN   )  3.91  2.11  0.59
 assign (resid  54 and name HN   ) (resid  56 and name HN   )  4.67  2.87  0.70
 assign (resid  55 and name HN   ) (resid  55 and name HE   )  5.31  3.51  0.80
 assign (resid  52 and name HA   ) (resid  54 and name HN   )  4.14  2.34  0.62
 assign (resid  51 and name HA   ) (resid  55 and name HN   )  3.87  2.07  0.58
 assign (resid  52 and name HB2  ) (resid  54 and name HN   )  4.72  2.92  0.71
 assign (resid  53 and name HG   ) (resid  55 and name HN   )  4.84  3.04  0.73
 assign (resid  26 and name HD2* ) (resid  55 and name HN   )  6.14  4.34  0.92
 assign (resid  54 and name HA   ) (resid  56 and name HN   )  4.03  2.23  0.60
 assign (resid  57 and name HN   ) (resid  60 and name HD1* )  5.48  3.68  0.82
 assign (resid  57 and name HN   ) (resid  59 and name HB*  )  4.66  2.86  0.70
 assign (resid  57 and name HN   ) (resid  60 and name HG12 )  4.79  2.99  0.72
 assign (resid  55 and name HB1  ) (resid  57 and name HN   )  5.69  3.89  0.85
 assign (resid  51 and name HG2  ) (resid  56 and name HN   )  5.64  3.84  0.85
 assign (resid  58 and name HN   ) (resid  59 and name HB*  )  4.46  2.66  0.67
 assign (resid  55 and name HB1  ) (resid  58 and name HN   )  4.28  2.48  0.64
 assign (resid  50 and name HE*  ) (resid  59 and name HN   )  5.98  4.18  0.90
 assign (resid  59 and name HN   ) (resid  63 and name HE*  )  6.39  4.59  0.96
 assign (resid  50 and name HD*  ) (resid  59 and name HN   )  4.13  2.33  0.62
 assign (resid  50 and name HB2  ) (resid  59 and name HN   )  3.82  2.02  0.57
 assign (resid  50 and name HB1  ) (resid  59 and name HN   )  4.17  2.37  0.63
 assign (resid  55 and name HB1  ) (resid  59 and name HN   )  4.58  2.78  0.69
 assign (resid  50 and name HA   ) (resid  59 and name HN   )  5.87  4.07  0.88
 assign (resid  60 and name HN   ) (resid  61 and name HB2  )  5.63  3.83  0.84
 assign (resid  60 and name HN   ) (resid  61 and name HB1  )  6.14  4.34  0.92
 assign (resid  56 and name HG2* ) (resid  60 and name HN   )  4.29  2.49  0.64
 assign (resid  56 and name HG2* ) (resid  59 and name HN   )  4.80  3.00  0.72
 assign (resid  59 and name HN   ) (resid  60 and name HD1* )  5.20  3.40  0.78
 assign (resid  50 and name HE*  ) (resid  62 and name HN   )  5.64  3.84  0.85
 assign (resid  62 and name HN   ) (resid  63 and name HD*  )  5.99  4.19  0.90
 assign (resid  50 and name HD*  ) (resid  62 and name HN   )  5.01  3.21  0.75
 assign (resid  58 and name HB1  ) (resid  62 and name HN   )  5.49  3.69  0.82
 assign (resid  60 and name HB   ) (resid  62 and name HN   )  5.84  4.04  0.88
 assign (resid  63 and name HN   ) (resid  82 and name HD2* )  4.80  3.00  0.72
 assign (resid  60 and name HG2* ) (resid  63 and name HN   )  4.80  3.00  0.72
 assign (resid  60 and name HD1* ) (resid  63 and name HN   )  5.56  3.76  0.83
 assign (resid  63 and name HN   ) (resid  67 and name HD1* )  6.05  4.25  0.91
 assign (resid  63 and name HN   ) (resid  64 and name HB*  )  4.54  2.74  0.68
 assign (resid  63 and name HN   ) (resid  86 and name HB1  )  4.81  3.01  0.72
 assign (resid  62 and name HN   ) (resid  64 and name HB*  )  4.96  3.16  0.74
 assign (resid  63 and name HN   ) (resid  66 and name HN   )  5.03  3.23  0.75
 assign (resid  63 and name HB2  ) (resid  65 and name HN   )  5.41  3.61  0.81
 assign (resid  65 and name HN   ) (resid  66 and name HA1  )  5.24  3.44  0.79
 assign (resid  62 and name HG2* ) (resid  65 and name HN   )  5.06  3.26  0.76
 assign (resid  65 and name HN   ) (resid  67 and name HD1* )  4.78  2.98  0.72
 assign (resid  65 and name HN   ) (resid  69 and name HG2* )  5.95  4.15  0.89
 assign (resid  65 and name HE21 ) (resid  69 and name HG2* )  5.29  3.49  0.79
 assign (resid  65 and name HE21 ) (resid  69 and name HG1* )  4.45  2.65  0.67
 assign (resid  33 and name HG2* ) (resid  65 and name HE21 )  6.50  4.70  0.98
 assign (resid  37 and name HB2  ) (resid  65 and name HE22 )  5.28  3.48  0.79
 assign (resid  65 and name HE22 ) (resid  69 and name HG2* )  5.50  3.70  0.83
 assign (resid  65 and name HE22 ) (resid  69 and name HG1* )  4.20  2.40  0.63
 assign (resid  33 and name HG2* ) (resid  65 and name HE22 )  6.50  4.70  0.98
 assign (resid  66 and name HN   ) (resid  67 and name HG11 )  5.32  3.52  0.80
 assign (resid  66 and name HN   ) (resid  67 and name HB   )  4.92  3.12  0.74
 assign (resid  64 and name HB*  ) (resid  66 and name HN   )  4.94  3.14  0.74
 assign (resid  62 and name HG2* ) (resid  66 and name HN   )  4.48  2.68  0.67
 assign (resid  66 and name HN   ) (resid  82 and name HD1* )  4.02  2.22  0.60
 assign (resid  43 and name HB2  ) (resid  66 and name HN   )  4.49  2.69  0.67
 assign (resid  40 and name HG2* ) (resid  67 and name HN   )  5.63  3.83  0.84
 assign (resid  67 and name HN   ) (resid  70 and name HB*  )  4.56  2.76  0.68
 assign (resid  67 and name HN   ) (resid  82 and name HB1  )  4.15  2.35  0.62
 assign (resid  64 and name HB*  ) (resid  67 and name HN   )  4.60  2.80  0.69
 assign (resid  67 and name HN   ) (resid  68 and name HG1  )  4.65  2.85  0.70
 assign (resid  37 and name HB1  ) (resid  65 and name HE22 )  4.96  3.16  0.74
 assign (resid  43 and name HD*  ) (resid  66 and name HN   )  4.23  2.43  0.63
 assign (resid  66 and name HN   ) (resid  69 and name HN   )  5.27  3.47  0.79
 assign (resid  64 and name HB*  ) (resid  68 and name HN   )  5.53  3.73  0.83
 assign (resid  68 and name HN   ) (resid  71 and name HG2  )  5.91  4.11  0.89
 assign (resid  68 and name HN   ) (resid  70 and name HB*  )  4.85  3.05  0.73
 assign (resid  68 and name HN   ) (resid  69 and name HG2* )  3.82  2.02  0.57
 assign (resid  66 and name HN   ) (resid  70 and name HN   )  5.99  4.19  0.90
 assign (resid  67 and name HG2* ) (resid  69 and name HN   )  4.82  3.02  0.72
 assign (resid  69 and name HN   ) (resid  82 and name HD1* )  5.24  3.44  0.79
 assign (resid  69 and name HN   ) (resid  70 and name HB*  )  4.10  2.30  0.62
 assign (resid  40 and name HG1* ) (resid  70 and name HN   )  4.81  3.01  0.72
 assign (resid  67 and name HG2* ) (resid  70 and name HN   )  5.17  3.37  0.78
 assign (resid  70 and name HN   ) (resid  82 and name HD1* )  4.48  2.68  0.67
 assign (resid  70 and name HN   ) (resid  79 and name HB2  )  4.87  3.07  0.73
 assign (resid  67 and name HG11 ) (resid  70 and name HN   )  5.47  3.67  0.82
 assign (resid  68 and name HB2  ) (resid  70 and name HN   )  5.20  3.40  0.78
 assign (resid  70 and name HN   ) (resid  72 and name HB2  )  5.63  3.83  0.84
 assign (resid  71 and name HN   ) (resid  79 and name HD1* )  4.22  2.42  0.63
 assign (resid  67 and name HG2* ) (resid  71 and name HN   )  4.24  2.44  0.64
 assign (resid  72 and name HN   ) (resid  74 and name HN   )  4.15  2.35  0.62
 assign (resid  70 and name HA   ) (resid  73 and name HN   )  4.32  2.52  0.65
 assign (resid  69 and name HA   ) (resid  73 and name HN   )  4.54  2.74  0.68
 assign (resid  73 and name HN   ) (resid  74 and name HA2  )  5.45  3.65  0.82
 assign (resid  72 and name HA   ) (resid  74 and name HN   )  5.53  3.73  0.83
 assign (resid  74 and name HN   ) (resid  75 and name HA   )  5.35  3.55  0.80
 assign (resid  69 and name HB   ) (resid  73 and name HN   )  4.38  2.58  0.66
 assign (resid  70 and name HB*  ) (resid  73 and name HN   )  5.07  3.27  0.76
 assign (resid  69 and name HG2* ) (resid  73 and name HN   )  4.69  2.89  0.70
 assign (resid  69 and name HG1* ) (resid  73 and name HN   )  4.67  2.87  0.70
 assign (resid  70 and name HB*  ) (resid  74 and name HN   )  4.23  2.43  0.63
 assign (resid  40 and name HG2* ) (resid  74 and name HN   )  3.91  2.11  0.59
 assign (resid  40 and name HG1* ) (resid  74 and name HN   )  4.72  2.92  0.71
 assign (resid  69 and name HG2* ) (resid  74 and name HN   )  5.24  3.44  0.79
 assign (resid  72 and name HB2  ) (resid  74 and name HN   )  5.07  3.27  0.76
 assign (resid  75 and name HN   ) (resid  78 and name HB2  )  4.88  3.08  0.73
 assign (resid  76 and name HE22 ) (resid  79 and name HD2* )  4.59  2.79  0.69
 assign (resid  77 and name HN   ) (resid  78 and name HB2  )  5.50  3.70  0.83
 assign (resid  75 and name HB   ) (resid  78 and name HN   )  4.71  2.91  0.71
 assign (resid  40 and name HG1* ) (resid  78 and name HN   )  5.15  3.35  0.77
 assign (resid  40 and name HG2* ) (resid  78 and name HN   )  6.29  4.49  0.94
 assign (resid  76 and name HB1  ) (resid  78 and name HN   )  5.43  3.63  0.81
 assign (resid  70 and name HB*  ) (resid  79 and name HN   )  3.63  1.83  0.54
 assign (resid  77 and name HB1  ) (resid  79 and name HN   )  4.98  3.18  0.75
 assign (resid  71 and name HG2  ) (resid  79 and name HN   )  6.50  4.70  0.98
 assign (resid  77 and name HB1  ) (resid  80 and name HN   )  5.71  3.91  0.86
 assign (resid  80 and name HN   ) (resid  82 and name HB2  )  5.35  3.55  0.80
 assign (resid  79 and name HD1* ) (resid  83 and name HN   )  4.19  2.39  0.63
 assign (resid  67 and name HG12 ) (resid  83 and name HN   )  3.93  2.13  0.59
 assign (resid  80 and name HA   ) (resid  83 and name HE21 )  5.20  3.40  0.78
 assign (resid  79 and name HG   ) (resid  83 and name HE21 )  4.85  3.05  0.73
 assign (resid  83 and name HN   ) (resid  84 and name HB1  )  5.43  3.63  0.81
 assign (resid  79 and name HD1* ) (resid  83 and name HE21 )  3.70  1.90  0.56
 assign (resid  67 and name HG12 ) (resid  83 and name HE21 )  5.98  4.18  0.90
 assign (resid  79 and name HG   ) (resid  83 and name HE22 )  4.63  2.83  0.69
 assign (resid  79 and name HD2* ) (resid  83 and name HE22 )  4.21  2.41  0.63
 assign (resid  67 and name HG2* ) (resid  83 and name HE22 )  4.97  3.17  0.75
 assign (resid  84 and name HN   ) (resid  86 and name HG1  )  5.94  4.14  0.89
 assign (resid  84 and name HN   ) (resid  86 and name HD1  )  6.50  4.70  0.98
 assign (resid  84 and name HN   ) (resid  87 and name HB1  )  6.50  4.70  0.98
 assign (resid  84 and name HN   ) (resid  87 and name HD2* )  4.63  2.83  0.69
 assign (resid  84 and name HN   ) (resid  85 and name HB*  )  4.32  2.52  0.65
 assign (resid  85 and name HN   ) (resid  87 and name HD2* )  4.93  3.13  0.74
 assign (resid  85 and name HN   ) (resid  86 and name HG2  )  4.19  2.39  0.63
 assign (resid  85 and name HN   ) (resid  88 and name HB1  )  6.50  4.70  0.98
 assign (resid  81 and name HB1  ) (resid  85 and name HN   )  5.18  3.38  0.78
 assign (resid  44 and name HE*  ) (resid  85 and name HN   )  4.26  2.46  0.64
 assign (resid  44 and name HD*  ) (resid  85 and name HN   )  5.39  3.59  0.81
 assign (resid  85 and name HB*  ) (resid  88 and name HN   )  4.81  3.01  0.72
 assign (resid  89 and name HN   ) (resid  90 and name HG1  )  5.19  3.39  0.78
 assign (resid  56 and name HG2* ) (resid  89 and name HN   )  5.18  3.38  0.78
 assign (resid  89 and name HN   ) (resid  92 and name HD1* )  4.91  3.11  0.74
 assign (resid  60 and name HD1* ) (resid  89 and name HN   )  3.66  1.86  0.55
 assign (resid  56 and name HG2* ) (resid  90 and name HN   )  4.52  2.72  0.68
 assign (resid  60 and name HG2* ) (resid  90 and name HN   )  5.41  3.61  0.81
 assign (resid  60 and name HG11 ) (resid  90 and name HN   )  5.74  3.94  0.86
 assign (resid  87 and name HD1* ) (resid  90 and name HN   )  4.67  2.87  0.70
 assign (resid  60 and name HD1* ) (resid  90 and name HN   )  3.80  2.00  0.57
 assign (resid  91 and name HN   ) (resid  92 and name HG   )  4.02  2.22  0.60
 assign (resid  89 and name HB*  ) (resid  91 and name HN   )  4.49  2.69  0.67
 assign (resid  88 and name HG1  ) (resid  91 and name HN   )  5.57  3.77  0.84
 assign (resid  87 and name HD1* ) (resid  91 and name HN   )  5.39  3.59  0.81
 assign (resid  91 and name HN   ) (resid  92 and name HD2* )  5.81  4.01  0.87
 assign (resid  91 and name HN   ) (resid  92 and name HD1* )  5.25  3.45  0.79
 assign (resid  56 and name HG2* ) (resid  92 and name HN   )  4.52  2.72  0.68
 assign (resid   6 and name HG2  ) (resid   8 and name HN   )  6.50  4.70  0.98
 assign (resid   8 and name HN   ) (resid  32 and name HD2* )  5.89  4.09  0.88
 assign (resid  10 and name HE*  ) (resid  11 and name HN   )  5.03  3.23  0.75
 assign (resid  10 and name HN   ) (resid  39 and name HE*  )  5.27  3.47  0.79
 assign (resid  10 and name HD*  ) (resid  12 and name HN   )  5.54  3.74  0.83
 assign (resid   9 and name HN   ) (resid  12 and name HN   )  5.57  3.77  0.84
 assign (resid  13 and name HN   ) (resid  29 and name HE*  )  4.88  3.08  0.73
 assign (resid  13 and name HN   ) (resid  16 and name HD2  )  5.20  3.40  0.78
 assign (resid  14 and name HN   ) (resid  28 and name HD1* )  4.65  2.85  0.70
 assign (resid  14 and name HN   ) (resid  28 and name HD2* )  6.50  4.70  0.98
 assign (resid  14 and name HN   ) (resid  17 and name HD1* )  5.13  3.33  0.77
 assign (resid  11 and name HB*  ) (resid  14 and name HN   )  4.77  2.97  0.72
 assign (resid  14 and name HN   ) (resid  25 and name HB*  )  4.81  3.01  0.72
 assign (resid  14 and name HN   ) (resid  17 and name HG   )  4.63  2.83  0.69
 assign (resid  14 and name HN   ) (resid  16 and name HB1  )  6.50  4.70  0.98
 assign (resid  14 and name HN   ) (resid  29 and name HE*  )  4.69  2.89  0.70
 assign (resid  14 and name HN   ) (resid  29 and name HZ   )  4.92  3.12  0.74
 assign (resid  11 and name HN   ) (resid  14 and name HN   )  5.15  3.35  0.77
 assign (resid  17 and name HN   ) (resid  22 and name HB*  )  5.42  3.62  0.81
 assign (resid  16 and name HN   ) (resid  19 and name HN   )  5.08  3.28  0.76
 assign (resid  20 and name HN   ) (resid  21 and name HA   )  5.85  4.05  0.88
 assign (resid  23 and name HN   ) (resid  24 and name HB2  )  5.44  3.64  0.82
 assign (resid  23 and name HN   ) (resid  25 and name HB*  )  6.48  4.68  0.97
 assign (resid  21 and name HA   ) (resid  25 and name HN   )  5.78  3.98  0.87
 assign (resid  16 and name HA   ) (resid  25 and name HN   )  6.50  4.70  0.98
 assign (resid  21 and name HB2  ) (resid  25 and name HN   )  5.38  3.58  0.81
 assign (resid  23 and name HN   ) (resid  26 and name HN   )  4.93  3.13  0.74
 assign (resid  31 and name HN   ) (resid  46 and name HD1* )  5.22  3.42  0.78
 assign (resid  31 and name HN   ) (resid  46 and name HD2* )  5.14  3.34  0.77
 assign (resid  31 and name HN   ) (resid  32 and name HD1* )  5.67  3.87  0.85
 assign (resid  31 and name HN   ) (resid  42 and name HG2* )  6.50  4.70  0.98
 assign (resid  31 and name HN   ) (resid  35 and name HG2* )  5.25  3.45  0.79
 assign (resid  29 and name HB2  ) (resid  31 and name HN   )  5.82  4.02  0.87
 assign (resid   9 and name HE   ) (resid  32 and name HN   )  5.39  3.59  0.81
 assign (resid  32 and name HN   ) (resid  35 and name HN   )  5.54  3.74  0.83
 assign (resid  35 and name HN   ) (resid  36 and name HA   )  5.96  4.16  0.89
 assign (resid  32 and name HD2* ) (resid  35 and name HN   )  5.53  3.73  0.83
 assign (resid  33 and name HG2* ) (resid  35 and name HN   )  5.93  4.13  0.89
 assign (resid  40 and name HN   ) (resid  69 and name HG2* )  4.30  2.50  0.65
 assign (resid  40 and name HN   ) (resid  70 and name HB*  )  6.22  4.42  0.93
 assign (resid  40 and name HN   ) (resid  43 and name HE*  )  5.18  3.38  0.78
 assign (resid  39 and name HA   ) (resid  42 and name HN   )  6.09  4.29  0.91
 assign (resid  45 and name HN   ) (resid  45 and name HE1  )  5.39  3.59  0.81
 assign (resid  44 and name HD*  ) (resid  46 and name HN   )  6.30  4.50  0.95
 assign (resid  48 and name HN   ) (resid  48 and name HE1  )  6.47  4.67  0.97
 assign (resid  29 and name HD*  ) (resid  49 and name HN   )  5.51  3.71  0.83
 assign (resid  29 and name HE*  ) (resid  49 and name HN   )  5.97  4.17  0.90
 assign (resid  49 and name HN   ) (resid  63 and name HE*  )  6.42  4.62  0.96
 assign (resid  49 and name HN   ) (resid  50 and name HD*  )  5.53  3.73  0.83
 assign (resid  45 and name HB2  ) (resid  49 and name HN   )  6.32  4.52  0.95
 assign (resid  49 and name HN   ) (resid  52 and name HB2  )  6.50  4.70  0.98
 assign (resid  45 and name HB1  ) (resid  49 and name HN   )  6.32  4.52  0.95
 assign (resid  49 and name HN   ) (resid  51 and name HG1  )  6.29  4.49  0.94
 assign (resid  49 and name HN   ) (resid  50 and name HB1  )  6.20  4.40  0.93
 assign (resid  29 and name HD*  ) (resid  50 and name HN   )  6.14  4.34  0.92
 assign (resid  50 and name HD*  ) (resid  53 and name HN   )  5.11  3.31  0.77
 assign (resid  50 and name HD*  ) (resid  55 and name HN   )  5.12  3.32  0.77
 assign (resid  56 and name HN   ) (resid  59 and name HN   )  5.57  3.77  0.84
 assign (resid  56 and name HN   ) (resid  57 and name HA   )  5.66  3.86  0.85
 assign (resid  51 and name HG1  ) (resid  56 and name HN   )  6.50  4.70  0.98
 assign (resid  56 and name HG2* ) (resid  58 and name HN   )  5.46  3.66  0.82
 assign (resid  58 and name HN   ) (resid  60 and name HD1* )  6.50  4.70  0.98
 assign (resid  50 and name HB1  ) (resid  58 and name HN   )  5.49  3.69  0.82
 assign (resid  50 and name HB2  ) (resid  58 and name HN   )  5.72  3.92  0.86
 assign (resid  56 and name HB   ) (resid  58 and name HN   )  6.33  4.53  0.95
 assign (resid  55 and name HA   ) (resid  58 and name HN   )  6.21  4.41  0.93
 assign (resid  50 and name HN   ) (resid  59 and name HN   )  6.07  4.27  0.91
 assign (resid  55 and name HE   ) (resid  59 and name HN   )  6.50  4.70  0.98
 assign (resid  60 and name HN   ) (resid  63 and name HD*  )  6.13  4.33  0.92
 assign (resid  60 and name HN   ) (resid  63 and name HE*  )  6.50  4.70  0.98
 assign (resid  50 and name HD*  ) (resid  60 and name HN   )  6.50  4.70  0.98
 assign (resid  60 and name HN   ) (resid  62 and name HG2* )  6.50  4.70  0.98
 assign (resid  61 and name HN   ) (resid  64 and name HN   )  5.84  4.04  0.88
 assign (resid  64 and name HN   ) (resid  67 and name HB   )  5.33  3.53  0.80
 assign (resid  64 and name HN   ) (resid  65 and name HB2  )  5.34  3.54  0.80
 assign (resid  43 and name HD*  ) (resid  65 and name HN   )  5.38  3.58  0.81
 assign (resid  37 and name HB1  ) (resid  65 and name HE21 )  5.71  3.91  0.86
 assign (resid  33 and name HG1* ) (resid  66 and name HN   )  6.21  4.41  0.93
 assign (resid  40 and name HG2* ) (resid  66 and name HN   )  6.50  4.70  0.98
 assign (resid  67 and name HN   ) (resid  70 and name HN   )  6.15  4.35  0.92
 assign (resid  68 and name HN   ) (resid  69 and name HA   )  5.47  3.67  0.82
 assign (resid  68 and name HN   ) (resid  71 and name HN   )  5.26  3.46  0.79
 assign (resid  65 and name HN   ) (resid  68 and name HN   )  5.46  3.66  0.82
 assign (resid  69 and name HN   ) (resid  70 and name HA   )  4.96  3.16  0.74
 assign (resid  65 and name HE21 ) (resid  69 and name HN   )  5.08  3.28  0.76
 assign (resid  70 and name HB*  ) (resid  72 and name HN   )  5.01  3.21  0.75
 assign (resid  69 and name HG2* ) (resid  72 and name HN   )  5.56  3.76  0.83
 assign (resid  40 and name HG1* ) (resid  73 and name HN   )  6.35  4.55  0.95
 assign (resid  71 and name HN   ) (resid  73 and name HN   )  4.27  2.47  0.64
 assign (resid  73 and name HN   ) (resid  75 and name HN   )  6.50  4.70  0.98
 assign (resid  40 and name HB   ) (resid  74 and name HN   )  5.24  3.44  0.79
 assign (resid  69 and name HB   ) (resid  74 and name HN   )  5.45  3.65  0.82
 assign (resid  70 and name HN   ) (resid  74 and name HN   )  5.08  3.28  0.76
 assign (resid  77 and name HN   ) (resid  78 and name HA   )  5.48  3.68  0.82
 assign (resid  75 and name HB   ) (resid  79 and name HN   )  6.22  4.42  0.93
 assign (resid  79 and name HN   ) (resid  82 and name HD1* )  5.05  3.25  0.76
 assign (resid  78 and name HB2  ) (resid  80 and name HN   )  5.30  3.50  0.80
 assign (resid  67 and name HG12 ) (resid  80 and name HN   )  6.32  4.52  0.95
 assign (resid  80 and name HN   ) (resid  82 and name HD1* )  6.50  4.70  0.98
 assign (resid  70 and name HB*  ) (resid  80 and name HN   )  4.78  2.98  0.72
 assign (resid  82 and name HN   ) (resid  83 and name HG1  )  5.24  3.44  0.79
 assign (resid  79 and name HD1* ) (resid  82 and name HN   )  5.50  3.70  0.83
 assign (resid  83 and name HB2  ) (resid  85 and name HN   )  5.34  3.54  0.80
 assign (resid  85 and name HN   ) (resid  86 and name HG1  )  5.32  3.52  0.80
 assign (resid  82 and name HD2* ) (resid  85 and name HN   )  5.30  3.50  0.80
 assign (resid  84 and name HB2  ) (resid  88 and name HN   )  6.32  4.52  0.95
 assign (resid  88 and name HN   ) (resid  90 and name HG2  )  6.50  4.70  0.98
 assign (resid  10 and name HD*  ) (resid  14 and name HN   )  5.19  3.39  0.78
 assign (resid  61 and name HB1  ) (resid  63 and name HN   )  5.41  3.61  0.81
 assign (resid   7 and name HN   ) (resid  10 and name HD*  )  6.07  4.27  0.91
 assign (resid   9 and name HN   ) (resid  10 and name HD*  )  6.35  4.55  0.95
 assign (resid   6 and name HA   ) (resid   9 and name HE   )  4.83  3.03  0.72
 assign (resid   9 and name HA   ) (resid   9 and name HE   )  5.65  3.85  0.85
 assign (resid   9 and name HE   ) (resid  31 and name HB1  )  6.17  4.37  0.93
 assign (resid   9 and name HB2  ) (resid   9 and name HE   )  4.46  2.66  0.67
 assign (resid   9 and name HB1  ) (resid   9 and name HE   )  4.25  2.45  0.64
 assign (resid   9 and name HG2  ) (resid   9 and name HE   )  4.17  2.37  0.63
 assign (resid   9 and name HE   ) (resid  32 and name HD1* )  5.71  3.91  0.86
 assign (resid   9 and name HE   ) (resid  28 and name HD2* )  5.04  3.24  0.76
 assign (resid  50 and name HE*  ) (resid  55 and name HE   )  6.16  4.36  0.92
 assign (resid  50 and name HD*  ) (resid  55 and name HE   )  6.50  4.70  0.98
 assign (resid  55 and name HA   ) (resid  55 and name HE   )  5.50  3.70  0.83
 assign (resid  55 and name HB1  ) (resid  55 and name HE   )  4.15  2.35  0.62
 assign (resid  55 and name HE   ) (resid  58 and name HB1  )  4.95  3.15  0.74
 assign (resid  26 and name HD2* ) (resid  55 and name HE   )  6.39  4.59  0.96
 assign (resid  53 and name HD1* ) (resid  55 and name HE   )  6.50  4.70  0.98
 assign (resid  68 and name HA   ) (resid  71 and name HE   )  6.27  4.47  0.94
 assign (resid  71 and name HB2  ) (resid  71 and name HE   )  4.89  3.09  0.73
 assign (resid  71 and name HB1  ) (resid  71 and name HE   )  4.95  3.15  0.74
 assign (resid  71 and name HE   ) (resid  79 and name HD1* )  5.69  3.89  0.85
 assign (resid  71 and name HE   ) (resid  79 and name HD2* )  5.90  4.10  0.89
 assign (resid  67 and name HG2* ) (resid  71 and name HE   )  4.81  3.01  0.72
 assign (resid  17 and name HN   ) (resid  25 and name HB*  )  3.30  1.50  0.50
 assign (resid  21 and name HD21 ) (resid  24 and name HA   )  6.50  4.70  0.98
 assign (resid  21 and name HD21 ) (resid  23 and name HB2  )  6.50  4.70  0.98
 assign (resid  21 and name HD21 ) (resid  23 and name HB1  )  6.50  4.70  0.98
 assign (resid  16 and name HB1  ) (resid  21 and name HD22 )  5.80  4.00  0.87
 assign (resid  24 and name HN   ) (resid  28 and name HG   )  6.49  4.69  0.97
 assign (resid  27 and name HN   ) (resid  30 and name HN   )  5.63  3.83  0.84
 assign (resid  33 and name HN   ) (resid  34 and name HG2  )  3.79  1.99  0.57
 assign (resid  32 and name HB1  ) (resid  36 and name HN   )  5.24  3.44  0.79
 assign (resid  36 and name HN   ) (resid  37 and name HG1  )  5.96  4.16  0.89
 assign (resid  32 and name HD1* ) (resid  36 and name HN   )  6.34  4.54  0.95
 assign (resid  39 and name HN   ) (resid  40 and name HG2* )  5.69  3.89  0.85
 assign (resid  39 and name HN   ) (resid  69 and name HG1* )  6.00  4.20  0.90
 assign (resid  39 and name HN   ) (resid  69 and name HB   )  5.81  4.01  0.87
 assign (resid  36 and name HA   ) (resid  39 and name HN   )  5.95  4.15  0.89
 assign (resid  39 and name HB1  ) (resid  42 and name HN   )  3.72  1.92  0.56
 assign (resid  43 and name HN   ) (resid  43 and name HE*  )  4.41  2.61  0.66
 assign (resid  43 and name HN   ) (resid  46 and name HB1  )  5.78  3.98  0.87
 assign (resid  43 and name HN   ) (resid  66 and name HA2  )  6.22  4.42  0.93
 assign (resid  44 and name HN   ) (resid  45 and name HD2  )  6.50  4.70  0.98
 assign (resid  43 and name HD*  ) (resid  44 and name HN   )  5.52  3.72  0.83
 assign (resid  43 and name HB2  ) (resid  46 and name HN   )  5.90  4.10  0.89
 assign (resid  43 and name HB1  ) (resid  47 and name HN   )  5.73  3.93  0.86
 assign (resid  43 and name HB2  ) (resid  47 and name HN   )  6.03  4.23  0.90
 assign (resid  47 and name HN   ) (resid  48 and name HB1  )  6.50  4.70  0.98
 assign (resid  47 and name HN   ) (resid  49 and name HB2  )  6.50  4.70  0.98
 assign (resid  42 and name HG2* ) (resid  47 and name HN   )  5.52  3.72  0.83
 assign (resid  45 and name HN   ) (resid  48 and name HN   )  5.09  3.29  0.76
 assign (resid  44 and name HD*  ) (resid  48 and name HN   )  5.40  3.60  0.81
 assign (resid  50 and name HN   ) (resid  51 and name HG1  )  4.80  3.00  0.72
 assign (resid  50 and name HN   ) (resid  52 and name HB2  )  5.57  3.77  0.84
 assign (resid  51 and name HN   ) (resid  53 and name HN   )  5.08  3.28  0.76
 assign (resid  15 and name HN   ) (resid  16 and name HB2  )  5.32  3.52  0.80
 assign (resid  50 and name HB1  ) (resid  53 and name HN   )  5.35  3.55  0.80
 assign (resid  51 and name HA   ) (resid  53 and name HN   )  5.17  3.37  0.78
 assign (resid  50 and name HN   ) (resid  53 and name HN   )  5.77  3.97  0.87
 assign (resid  54 and name HN   ) (resid  55 and name HG1  )  5.81  4.01  0.87
 assign (resid  54 and name HN   ) (resid  55 and name HB2  )  5.41  3.61  0.81
 assign (resid  55 and name HE   ) (resid  56 and name HN   )  6.04  4.24  0.91
 assign (resid  55 and name HE   ) (resid  58 and name HN   )  4.69  2.89  0.70
 assign (resid  50 and name HD*  ) (resid  58 and name HN   )  5.60  3.80  0.84
 assign (resid  58 and name HN   ) (resid  61 and name HN   )  5.48  3.68  0.82
 assign (resid  59 and name HN   ) (resid  60 and name HG2* )  6.50  4.70  0.98
 assign (resid  59 and name HN   ) (resid  60 and name HG11 )  6.50  4.70  0.98
 assign (resid  57 and name HN   ) (resid  60 and name HN   )  5.19  3.39  0.78
 assign (resid  60 and name HN   ) (resid  63 and name HN   )  5.88  4.08  0.88
 assign (resid  60 and name HG2* ) (resid  62 and name HN   )  5.29  3.49  0.79
 assign (resid  70 and name HN   ) (resid  73 and name HN   )  5.56  3.76  0.83
 assign (resid  40 and name HG2* ) (resid  75 and name HN   )  6.50  4.70  0.98
 assign (resid  75 and name HN   ) (resid  78 and name HN   )  4.52  2.72  0.68
 assign (resid  75 and name HN   ) (resid  79 and name HN   )  5.28  3.48  0.79
 assign (resid  44 and name HD*  ) (resid  82 and name HN   )  6.50  4.70  0.98
 assign (resid  44 and name HD*  ) (resid  81 and name HN   )  5.90  4.10  0.89
 assign (resid  84 and name HN   ) (resid  85 and name HA   )  5.43  3.63  0.81
 assign (resid  63 and name HD*  ) (resid  86 and name HN   )  4.84  3.04  0.73
 assign (resid  44 and name HE*  ) (resid  86 and name HN   )  6.35  4.55  0.95
 assign (resid  89 and name HN   ) (resid  90 and name HG2  )  6.50  4.70  0.98
 assign (resid  89 and name HA   ) (resid  91 and name HN   )  3.73  1.93  0.56
 assign (resid  91 and name HN   ) (resid  92 and name HA   )  5.33  3.53  0.80
 assign (resid  89 and name HN   ) (resid  91 and name HN   )  4.37  2.57  0.66
 assign (resid  92 and name HN   ) (resid  93 and name HG1  )  6.50  4.70  0.98
 assign (resid  90 and name HA   ) (resid  93 and name HN   )  4.61  2.81  0.69
 assign (resid  93 and name HN   ) (resid  94 and name HA   )  5.11  3.31  0.77
 assign (resid  93 and name HN   ) (resid  94 and name HB2  )  5.96  4.16  0.89
 assign (resid  93 and name HN   ) (resid  94 and name HB1  )  5.96  4.16  0.89
 assign (resid  56 and name HG2* ) (resid  93 and name HN   )  6.50  4.70  0.98
 assign (resid  22 and name HN   ) (resid  23 and name HA   )  6.50  4.70  0.98
 assign (resid  16 and name HA   ) (resid  22 and name HN   )  6.16  4.36  0.92
 assign (resid   5 and name HA   ) (resid   7 and name HN   )  4.78  2.98  0.72
 assign (resid  71 and name HN   ) (resid  72 and name HA   )  5.33  3.53  0.80
 assign (resid  51 and name HN   ) (resid  59 and name HN   )  5.03  3.23  0.75
 assign (resid   5 and name HN   ) (resid   8 and name HN   )  5.17  3.37  0.78
 assign (resid  12 and name HN   ) (resid  12 and name HG   )  4.59  2.79  0.69
 assign (resid  17 and name HD2* ) (resid  19 and name HN   )  5.25  3.45  0.79
 assign (resid  20 and name HN   ) (resid  22 and name HB*  )  6.23  4.43  0.93
 assign (resid  21 and name HN   ) (resid  21 and name HD21 )  5.32  3.52  0.80
 assign (resid  21 and name HD21 ) (resid  22 and name HN   )  5.35  3.55  0.80
 assign (resid  21 and name HD22 ) (resid  22 and name HN   )  6.50  4.70  0.98
 assign (resid  38 and name HN   ) (resid  39 and name HB1  )  5.34  3.54  0.80
 assign (resid  36 and name HB2  ) (resid  38 and name HN   )  4.93  3.13  0.74
 assign (resid  21 and name HN   ) (resid  23 and name HN   )  5.29  3.49  0.79
 assign (resid  49 and name HG   ) (resid  53 and name HN   )  5.09  3.29  0.76
 assign (resid  53 and name HN   ) (resid  55 and name HB2  )  5.14  3.34  0.77
 assign (resid  89 and name HA   ) (resid  92 and name HN   )  3.84  2.04  0.58
 assign (resid   1 and name HA   ) (resid   1 and name HG2  )  4.23  2.43  0.63
 assign (resid   1 and name HA   ) (resid   1 and name HG1  )  4.23  2.43  0.63
 assign (resid   2 and name HA   ) (resid   3 and name HD2  )  2.65  0.85  0.40
 assign (resid   2 and name HA   ) (resid   3 and name HD1  )  2.70  0.90  0.41
 assign (resid   3 and name HD1  ) (resid   4 and name HN   )  4.29  2.49  0.64
 assign (resid   3 and name HB2  ) (resid   4 and name HN   )  4.19  2.39  0.63
 assign (resid   3 and name HB1  ) (resid   4 and name HN   )  4.64  2.84  0.70
 assign (resid   4 and name HA   ) (resid   4 and name HG2  )  3.59  1.79  0.54
 assign (resid   4 and name HA   ) (resid   4 and name HG1  )  3.59  1.79  0.54
 assign (resid   4 and name HA   ) (resid   5 and name HN   )  3.56  1.76  0.53
 assign (resid   5 and name HA   ) (resid   6 and name HD2  )  3.17  1.37  0.48
 assign (resid   5 and name HA   ) (resid   6 and name HD1  )  3.17  1.37  0.48
 assign (resid  68 and name HA   ) (resid  71 and name HG1  )  4.54  2.74  0.68
 assign (resid   7 and name HA   ) (resid   7 and name HD*  )  3.71  1.91  0.56
 assign (resid   7 and name HA   ) (resid  10 and name HB2  )  3.86  2.06  0.58
 assign (resid   7 and name HA   ) (resid  10 and name HB1  )  3.74  1.94  0.56
 assign (resid   8 and name HA   ) (resid  11 and name HN   )  4.19  2.39  0.63
 assign (resid   8 and name HA   ) (resid  11 and name HB*  )  3.52  1.72  0.53
 assign (resid   8 and name HN   ) (resid   8 and name HG2* )  3.71  1.91  0.56
 assign (resid   8 and name HA   ) (resid   8 and name HG2* )  2.96  1.16  0.44
 assign (resid   8 and name HG2* ) (resid   9 and name HN   )  3.86  2.06  0.58
 assign (resid   9 and name HA   ) (resid   9 and name HG2  )  3.75  1.95  0.56
 assign (resid   9 and name HA   ) (resid  12 and name HB1  )  3.16  1.36  0.47
 assign (resid   9 and name HA   ) (resid   9 and name HD2  )  4.64  2.84  0.70
 assign (resid   9 and name HA   ) (resid  12 and name HB2  )  3.41  1.61  0.51
 assign (resid   9 and name HB2  ) (resid  28 and name HB1  )  4.07  2.27  0.61
 assign (resid   9 and name HA   ) (resid   9 and name HD1  )  5.56  3.76  0.83
 assign (resid   9 and name HB1  ) (resid   9 and name HD1  )  3.60  1.80  0.54
 assign (resid   9 and name HB1  ) (resid   9 and name HD2  )  3.47  1.67  0.52
 assign (resid   9 and name HB2  ) (resid   9 and name HD2  )  3.77  1.97  0.57
 assign (resid  10 and name HA   ) (resid  10 and name HD*  )  3.80  2.00  0.57
 assign (resid  10 and name HA   ) (resid  13 and name HB*  )  3.81  2.01  0.57
 assign (resid  11 and name HA   ) (resid  14 and name HN   )  3.73  1.93  0.56
 assign (resid  11 and name HA   ) (resid  14 and name HB2  )  3.62  1.82  0.54
 assign (resid  11 and name HB*  ) (resid  12 and name HN   )  3.21  1.41  0.48
 assign (resid  12 and name HA   ) (resid  12 and name HG   )  3.95  2.15  0.59
 assign (resid  12 and name HA   ) (resid  12 and name HD2* )  3.80  2.00  0.57
 assign (resid  12 and name HA   ) (resid  15 and name HN   )  3.79  1.99  0.57
 assign (resid  12 and name HA   ) (resid  15 and name HB2  )  3.57  1.77  0.54
 assign (resid  12 and name HG   ) (resid  13 and name HN   )  4.75  2.95  0.71
 assign (resid  12 and name HN   ) (resid  12 and name HD1* )  4.14  2.34  0.62
 assign (resid  12 and name HA   ) (resid  12 and name HD1* )  2.88  1.08  0.43
 assign (resid  12 and name HB2  ) (resid  12 and name HD1* )  2.94  1.14  0.44
 assign (resid  12 and name HD1* ) (resid  13 and name HN   )  4.64  2.84  0.70
 assign (resid  12 and name HN   ) (resid  12 and name HD2* )  4.35  2.55  0.65
 assign (resid  12 and name HB2  ) (resid  12 and name HD2* )  2.75  0.95  0.41
 assign (resid  12 and name HB1  ) (resid  12 and name HD2* )  3.13  1.33  0.47
 assign (resid  12 and name HD2* ) (resid  13 and name HN   )  4.96  3.16  0.74
 assign (resid  13 and name HA   ) (resid  16 and name HB1  )  4.21  2.41  0.63
 assign (resid  13 and name HA   ) (resid  16 and name HB2  )  4.50  2.70  0.68
 assign (resid  14 and name HA   ) (resid  14 and name HG2  )  3.16  1.36  0.47
 assign (resid  14 and name HA   ) (resid  17 and name HB2  )  3.56  1.76  0.53
 assign (resid  11 and name HA   ) (resid  14 and name HB1  )  4.90  3.10  0.74
 assign (resid  14 and name HB1  ) (resid  15 and name HN   )  4.21  2.41  0.63
 assign (resid  14 and name HB1  ) (resid  14 and name HG2  )  3.01  1.21  0.45
 assign (resid  14 and name HA   ) (resid  14 and name HG1  )  3.71  1.91  0.56
 assign (resid  14 and name HB2  ) (resid  14 and name HG1  )  2.83  1.03  0.42
 assign (resid  15 and name HA   ) (resid  15 and name HG2  )  3.22  1.42  0.48
 assign (resid  81 and name HB1  ) (resid  82 and name HN   )  3.87  2.07  0.58
 assign (resid  12 and name HA   ) (resid  15 and name HG1  )  3.44  1.64  0.52
 assign (resid  15 and name HB2  ) (resid  15 and name HG1  )  2.47  0.67  0.37
 assign (resid  17 and name HA   ) (resid  17 and name HG   )  3.75  1.95  0.56
 assign (resid  17 and name HA   ) (resid  17 and name HD2* )  2.75  0.95  0.41
 assign (resid  17 and name HB1  ) (resid  17 and name HD2* )  2.85  1.05  0.43
 assign (resid  17 and name HN   ) (resid  17 and name HD1* )  3.91  2.11  0.59
 assign (resid  17 and name HA   ) (resid  17 and name HD1* )  3.75  1.95  0.56
 assign (resid  17 and name HB1  ) (resid  17 and name HD1* )  2.92  1.12  0.44
 assign (resid  17 and name HB2  ) (resid  17 and name HD1* )  3.23  1.43  0.48
 assign (resid  18 and name HA   ) (resid  18 and name HG2  )  3.89  2.09  0.58
 assign (resid  64 and name HB*  ) (resid  65 and name HA   )  3.90  2.10  0.59
 assign (resid  77 and name HA   ) (resid  77 and name HG1  )  3.61  1.81  0.54
 assign (resid  18 and name HA   ) (resid  18 and name HG1  )  3.89  2.09  0.58
 assign (resid  18 and name HN   ) (resid  18 and name HD2  )  5.35  3.55  0.80
 assign (resid  18 and name HN   ) (resid  18 and name HD1  )  5.35  3.55  0.80
 assign (resid  19 and name HA   ) (resid  19 and name HD2  )  4.11  2.31  0.62
 assign (resid  21 and name HN   ) (resid  21 and name HB1  )  3.80  2.00  0.57
 assign (resid  21 and name HB1  ) (resid  22 and name HN   )  4.52  2.72  0.68
 assign (resid  23 and name HA   ) (resid  26 and name HB1  )  4.65  2.85  0.70
 assign (resid  24 and name HA   ) (resid  24 and name HG2  )  3.32  1.52  0.50
 assign (resid  24 and name HA   ) (resid  24 and name HD1  )  3.29  1.49  0.49
 assign (resid  24 and name HA   ) (resid  27 and name HN   )  3.61  1.81  0.54
 assign (resid  24 and name HA   ) (resid  27 and name HB*  )  3.20  1.40  0.48
 assign (resid  24 and name HA   ) (resid  24 and name HG1  )  3.87  2.07  0.58
 assign (resid  24 and name HB2  ) (resid  24 and name HG1  )  2.86  1.06  0.43
 assign (resid  24 and name HB2  ) (resid  24 and name HG2  )  2.67  0.87  0.40
 assign (resid  24 and name HA   ) (resid  24 and name HD2  )  3.47  1.67  0.52
 assign (resid  24 and name HB1  ) (resid  24 and name HD2  )  3.95  2.15  0.59
 assign (resid  24 and name HB2  ) (resid  24 and name HD2  )  3.54  1.74  0.53
 assign (resid  48 and name HG1  ) (resid  48 and name HE1  )  3.77  1.97  0.57
 assign (resid  24 and name HN   ) (resid  24 and name HD1  )  4.55  2.75  0.68
 assign (resid  24 and name HB2  ) (resid  24 and name HD1  )  3.89  2.09  0.58
 assign (resid  25 and name HA   ) (resid  28 and name HB2  )  4.56  2.76  0.68
 assign (resid  22 and name HA   ) (resid  25 and name HB*  )  3.01  1.21  0.45
 assign (resid  48 and name HA   ) (resid  48 and name HD2  )  3.53  1.73  0.53
 assign (resid  26 and name HA   ) (resid  26 and name HD1* )  3.13  1.33  0.47
 assign (resid  26 and name HA   ) (resid  29 and name HB1  )  5.25  3.45  0.79
 assign (resid  26 and name HA   ) (resid  29 and name HB2  )  4.60  2.80  0.69
 assign (resid  23 and name HA   ) (resid  26 and name HB2  )  4.60  2.80  0.69
 assign (resid  26 and name HB1  ) (resid  26 and name HD2* )  3.09  1.29  0.46
 assign (resid  26 and name HG   ) (resid  27 and name HN   )  4.75  2.95  0.71
 assign (resid  26 and name HN   ) (resid  26 and name HD1* )  3.96  2.16  0.59
 assign (resid  26 and name HB2  ) (resid  26 and name HD1* )  3.41  1.61  0.51
 assign (resid  26 and name HB1  ) (resid  26 and name HD1* )  3.37  1.57  0.51
 assign (resid  26 and name HA   ) (resid  26 and name HD2* )  3.42  1.62  0.51
 assign (resid  26 and name HB2  ) (resid  26 and name HD2* )  2.97  1.17  0.45
 assign (resid  26 and name HD2* ) (resid  53 and name HG   )  4.50  2.70  0.68
 assign (resid  26 and name HD2* ) (resid  27 and name HN   )  4.76  2.96  0.71
 assign (resid  27 and name HA   ) (resid  30 and name HB1  )  3.71  1.91  0.56
 assign (resid  27 and name HA   ) (resid  30 and name HB2  )  3.74  1.94  0.56
 assign (resid  28 and name HA   ) (resid  28 and name HG   )  3.43  1.63  0.51
 assign (resid  28 and name HA   ) (resid  28 and name HD1* )  3.94  2.14  0.59
 assign (resid  28 and name HA   ) (resid  31 and name HB1  )  3.78  1.98  0.57
 assign (resid  28 and name HA   ) (resid  31 and name HB2  )  4.01  2.21  0.60
 assign (resid  25 and name HA   ) (resid  28 and name HB1  )  4.52  2.72  0.68
 assign (resid   9 and name HG1  ) (resid  28 and name HB1  )  3.83  2.03  0.57
 assign (resid  28 and name HG   ) (resid  29 and name HN   )  6.50  4.70  0.98
 assign (resid  28 and name HB1  ) (resid  28 and name HD1* )  3.24  1.44  0.49
 assign (resid  28 and name HB2  ) (resid  28 and name HD1* )  3.39  1.59  0.51
 assign (resid  28 and name HD1* ) (resid  29 and name HN   )  4.86  3.06  0.73
 assign (resid  28 and name HA   ) (resid  28 and name HD2* )  2.94  1.14  0.44
 assign (resid   9 and name HB1  ) (resid  28 and name HD2* )  3.50  1.70  0.53
 assign (resid  28 and name HB1  ) (resid  28 and name HD2* )  3.60  1.80  0.54
 assign (resid  28 and name HB2  ) (resid  28 and name HD2* )  3.24  1.44  0.49
 assign (resid  29 and name HA   ) (resid  29 and name HD*  )  3.52  1.72  0.53
 assign (resid  29 and name HA   ) (resid  32 and name HN   )  4.37  2.57  0.66
 assign (resid  29 and name HA   ) (resid  32 and name HB1  )  4.33  2.53  0.65
 assign (resid  29 and name HB1  ) (resid  30 and name HA   )  4.69  2.89  0.70
 assign (resid  30 and name HA   ) (resid  30 and name HG2  )  3.27  1.47  0.49
 assign (resid  30 and name HA   ) (resid  30 and name HG1  )  3.83  2.03  0.57
 assign (resid  30 and name HA   ) (resid  33 and name HB   )  4.31  2.51  0.65
 assign (resid  30 and name HN   ) (resid  30 and name HG2  )  4.13  2.33  0.62
 assign (resid  30 and name HG2  ) (resid  31 and name HN   )  5.08  3.28  0.76
 assign (resid  52 and name HA   ) (resid  52 and name HB1  )  2.97  1.17  0.45
 assign (resid  31 and name HA   ) (resid  34 and name HG2  )  2.84  1.04  0.43
 assign (resid  31 and name HB2  ) (resid  32 and name HN   )  3.79  1.99  0.57
 assign (resid  31 and name HN   ) (resid  31 and name HG2  )  5.37  3.57  0.81
 assign (resid  31 and name HN   ) (resid  31 and name HG1  )  5.37  3.57  0.81
 assign (resid  31 and name HG2  ) (resid  32 and name HN   )  5.84  4.04  0.88
 assign (resid  31 and name HG1  ) (resid  32 and name HN   )  5.84  4.04  0.88
 assign (resid  32 and name HA   ) (resid  35 and name HB   )  5.07  3.27  0.76
 assign (resid  32 and name HN   ) (resid  32 and name HB1  )  4.03  2.23  0.60
 assign (resid  32 and name HB1  ) (resid  32 and name HD1* )  3.76  1.96  0.56
 assign (resid  29 and name HA   ) (resid  32 and name HB2  )  4.31  2.51  0.65
 assign (resid  32 and name HG   ) (resid  33 and name HN   )  5.94  4.14  0.89
 assign (resid  32 and name HA   ) (resid  32 and name HD2* )  3.19  1.39  0.48
 assign (resid  32 and name HB2  ) (resid  32 and name HD2* )  3.81  2.01  0.57
 assign (resid  32 and name HA   ) (resid  32 and name HD1* )  4.09  2.29  0.61
 assign (resid  32 and name HB2  ) (resid  32 and name HD1* )  3.49  1.69  0.52
 assign (resid  33 and name HA   ) (resid  33 and name HG2* )  3.03  1.23  0.45
 assign (resid  33 and name HA   ) (resid  33 and name HG1* )  3.16  1.36  0.47
 assign (resid  33 and name HG2* ) (resid  34 and name HN   )  3.78  1.98  0.57
 assign (resid  33 and name HN   ) (resid  33 and name HG1* )  3.78  1.98  0.57
 assign (resid  34 and name HA   ) (resid  34 and name HB1  )  2.91  1.11  0.44
 assign (resid  34 and name HA   ) (resid  34 and name HG1  )  3.84  2.04  0.58
 assign (resid  31 and name HA   ) (resid  31 and name HB2  )  2.81  1.01  0.42
 assign (resid  34 and name HA   ) (resid  34 and name HB2  )  3.00  1.20  0.45
 assign (resid  34 and name HB1  ) (resid  35 and name HN   )  4.36  2.56  0.65
 assign (resid  34 and name HB2  ) (resid  35 and name HN   )  4.63  2.83  0.69
 assign (resid  31 and name HA   ) (resid  34 and name HG1  )  3.45  1.65  0.52
 assign (resid  35 and name HA   ) (resid  35 and name HG2* )  2.83  1.03  0.42
 assign (resid  35 and name HN   ) (resid  35 and name HG2* )  3.09  1.29  0.46
 assign (resid  36 and name HB1  ) (resid  38 and name HN   )  5.18  3.38  0.78
 assign (resid  36 and name HA   ) (resid  37 and name HD2  )  3.58  1.78  0.54
 assign (resid  36 and name HA   ) (resid  37 and name HD1  )  3.58  1.78  0.54
 assign (resid  37 and name HD2  ) (resid  38 and name HN   )  3.93  2.13  0.59
 assign (resid  37 and name HD1  ) (resid  38 and name HN   )  3.93  2.13  0.59
 assign (resid  37 and name HG2  ) (resid  38 and name HA   )  5.48  3.68  0.82
 assign (resid  40 and name HA   ) (resid  40 and name HG1* )  3.54  1.74  0.53
 assign (resid  40 and name HA   ) (resid  40 and name HG2* )  3.11  1.31  0.47
 assign (resid  40 and name HA   ) (resid  41 and name HN   )  3.47  1.67  0.52
 assign (resid  40 and name HG2* ) (resid  41 and name HN   )  4.12  2.32  0.62
 assign (resid  33 and name HA   ) (resid  36 and name HB1  )  5.71  3.91  0.86
 assign (resid  42 and name HA   ) (resid  42 and name HG2* )  3.10  1.30  0.47
 assign (resid  42 and name HG2* ) (resid  43 and name HN   )  3.21  1.41  0.48
 assign (resid  43 and name HA   ) (resid  43 and name HD*  )  3.84  2.04  0.58
 assign (resid  43 and name HA   ) (resid  43 and name HE*  )  4.88  3.08  0.73
 assign (resid  43 and name HA   ) (resid  46 and name HB2  )  4.02  2.22  0.60
 assign (resid  43 and name HA   ) (resid  46 and name HB1  )  4.02  2.22  0.60
 assign (resid  40 and name HA   ) (resid  43 and name HB2  )  4.99  3.19  0.75
 assign (resid  43 and name HN   ) (resid  43 and name HB2  )  3.50  1.70  0.53
 assign (resid  44 and name HA   ) (resid  44 and name HD*  )  3.77  1.97  0.57
 assign (resid  44 and name HA   ) (resid  44 and name HE*  )  4.85  3.05  0.73
 assign (resid  45 and name HA   ) (resid  45 and name HD2  )  5.15  3.35  0.77
 assign (resid  45 and name HA   ) (resid  48 and name HB2  )  3.48  1.68  0.52
 assign (resid  46 and name HA   ) (resid  46 and name HD1* )  3.24  1.44  0.49
 assign (resid  46 and name HA   ) (resid  46 and name HD2* )  3.97  2.17  0.60
 assign (resid  46 and name HA   ) (resid  49 and name HB1  )  4.05  2.25  0.61
 assign (resid  46 and name HA   ) (resid  49 and name HB2  )  4.14  2.34  0.62
 assign (resid  46 and name HB2  ) (resid  46 and name HD1* )  3.63  1.83  0.54
 assign (resid  46 and name HB1  ) (resid  46 and name HD1* )  3.63  1.83  0.54
 assign (resid  47 and name HA1  ) (resid  50 and name HB1  )  6.50  4.70  0.98
 assign (resid  47 and name HA1  ) (resid  63 and name HB2  )  6.50  4.70  0.98
 assign (resid  47 and name HA1  ) (resid  50 and name HB2  )  4.33  2.53  0.65
 assign (resid  48 and name HA   ) (resid  51 and name HB1  )  5.01  3.21  0.75
 assign (resid  45 and name HA   ) (resid  48 and name HB1  )  4.86  3.06  0.73
 assign (resid  48 and name HB1  ) (resid  48 and name HD2  )  4.07  2.27  0.61
 assign (resid  48 and name HB1  ) (resid  49 and name HN   )  4.53  2.73  0.68
 assign (resid  48 and name HA   ) (resid  48 and name HG2  )  3.93  2.13  0.59
 assign (resid   9 and name HB2  ) (resid  28 and name HD2* )  3.56  1.76  0.53
 assign (resid  48 and name HN   ) (resid  48 and name HD1  )  4.64  2.84  0.70
 assign (resid  48 and name HA   ) (resid  48 and name HD1  )  3.47  1.67  0.52
 assign (resid  48 and name HB1  ) (resid  48 and name HD1  )  4.05  2.25  0.61
 assign (resid  48 and name HN   ) (resid  48 and name HE2  )  6.47  4.67  0.97
 assign (resid  48 and name HA   ) (resid  48 and name HE2  )  4.87  3.07  0.73
 assign (resid  48 and name HB1  ) (resid  48 and name HE2  )  5.39  3.59  0.81
 assign (resid  48 and name HG1  ) (resid  48 and name HE2  )  3.77  1.97  0.57
 assign (resid  48 and name HA   ) (resid  48 and name HE1  )  4.87  3.07  0.73
 assign (resid   5 and name HB1  ) (resid   6 and name HG2  )  6.50  4.70  0.98
 assign (resid  48 and name HB1  ) (resid  48 and name HE1  )  5.39  3.59  0.81
 assign (resid  17 and name HD1* ) (resid  49 and name HA   )  5.00  3.20  0.75
 assign (resid  49 and name HA   ) (resid  49 and name HD1* )  3.02  1.22  0.45
 assign (resid  49 and name HB1  ) (resid  49 and name HD2* )  3.12  1.32  0.47
 assign (resid  49 and name HB1  ) (resid  49 and name HD1* )  3.32  1.52  0.50
 assign (resid  17 and name HD1* ) (resid  49 and name HB2  )  3.80  2.00  0.57
 assign (resid  49 and name HN   ) (resid  49 and name HG   )  4.46  2.66  0.67
 assign (resid  49 and name HA   ) (resid  49 and name HG   )  3.83  2.03  0.57
 assign (resid  49 and name HG   ) (resid  50 and name HN   )  5.08  3.28  0.76
 assign (resid  49 and name HN   ) (resid  49 and name HD2* )  4.30  2.50  0.65
 assign (resid  49 and name HA   ) (resid  49 and name HD2* )  3.81  2.01  0.57
 assign (resid  49 and name HB2  ) (resid  49 and name HD2* )  3.15  1.35  0.47
 assign (resid  49 and name HD2* ) (resid  50 and name HN   )  4.62  2.82  0.69
 assign (resid  49 and name HN   ) (resid  49 and name HD1* )  4.27  2.47  0.64
 assign (resid  49 and name HB2  ) (resid  49 and name HD1* )  3.43  1.63  0.51
 assign (resid  50 and name HA   ) (resid  50 and name HD*  )  3.34  1.54  0.50
 assign (resid  50 and name HA   ) (resid  50 and name HE*  )  4.15  2.35  0.62
 assign (resid  47 and name HA2  ) (resid  50 and name HB1  )  4.54  2.74  0.68
 assign (resid  50 and name HB1  ) (resid  56 and name HA   )  5.14  3.34  0.77
 assign (resid  47 and name HA2  ) (resid  50 and name HB2  )  4.20  2.40  0.63
 assign (resid  50 and name HB2  ) (resid  56 and name HA   )  6.50  4.70  0.98
 assign (resid  51 and name HA   ) (resid  51 and name HG2  )  3.43  1.63  0.51
 assign (resid  51 and name HA   ) (resid  51 and name HG1  )  3.74  1.94  0.56
 assign (resid  48 and name HA   ) (resid  51 and name HB2  )  5.83  4.03  0.87
 assign (resid  51 and name HG2  ) (resid  52 and name HN   )  6.28  4.48  0.94
 assign (resid  52 and name HA   ) (resid  52 and name HG1  )  3.63  1.83  0.54
 assign (resid  52 and name HA   ) (resid  52 and name HG2  )  3.56  1.76  0.53
 assign (resid  49 and name HA   ) (resid  52 and name HB2  )  3.49  1.69  0.52
 assign (resid  52 and name HB2  ) (resid  53 and name HN   )  3.96  2.16  0.59
 assign (resid  52 and name HN   ) (resid  52 and name HB1  )  3.78  1.98  0.57
 assign (resid  52 and name HB1  ) (resid  52 and name HG2  )  3.00  1.20  0.45
 assign (resid  52 and name HG1  ) (resid  53 and name HN   )  5.00  3.20  0.75
 assign (resid  52 and name HN   ) (resid  52 and name HD2  )  5.39  3.59  0.81
 assign (resid  52 and name HB2  ) (resid  52 and name HD2  )  3.85  2.05  0.58
 assign (resid  52 and name HB1  ) (resid  52 and name HD2  )  3.78  1.98  0.57
 assign (resid  52 and name HN   ) (resid  52 and name HD1  )  5.39  3.59  0.81
 assign (resid  52 and name HB2  ) (resid  52 and name HD1  )  3.85  2.05  0.58
 assign (resid  52 and name HB1  ) (resid  52 and name HD1  )  3.78  1.98  0.57
 assign (resid  53 and name HA   ) (resid  53 and name HB1  )  3.01  1.21  0.45
 assign (resid  53 and name HA   ) (resid  53 and name HD2* )  2.61  0.81  0.39
 assign (resid  53 and name HN   ) (resid  53 and name HB1  )  4.12  2.32  0.62
 assign (resid  53 and name HB2  ) (resid  53 and name HD1* )  3.50  1.70  0.53
 assign (resid  53 and name HB2  ) (resid  54 and name HN   )  4.41  2.61  0.66
 assign (resid  53 and name HB1  ) (resid  53 and name HD2* )  3.05  1.25  0.46
 assign (resid  53 and name HB2  ) (resid  53 and name HD2* )  3.39  1.59  0.51
 assign (resid  53 and name HA   ) (resid  53 and name HD1* )  3.95  2.15  0.59
 assign (resid  53 and name HB1  ) (resid  53 and name HD1* )  3.43  1.63  0.51
 assign (resid  55 and name HA   ) (resid  55 and name HG1  )  4.02  2.22  0.60
 assign (resid  55 and name HA   ) (resid  55 and name HG2  )  3.59  1.79  0.54
 assign (resid  55 and name HN   ) (resid  55 and name HB1  )  3.87  2.07  0.58
 assign (resid  55 and name HB1  ) (resid  56 and name HN   )  4.56  2.76  0.68
 assign (resid  55 and name HA   ) (resid  55 and name HD1  )  4.91  3.11  0.74
 assign (resid  55 and name HA   ) (resid  55 and name HD2  )  4.76  2.96  0.71
 assign (resid  55 and name HB2  ) (resid  55 and name HD2  )  4.14  2.34  0.62
 assign (resid  56 and name HA   ) (resid  56 and name HG2* )  3.27  1.47  0.49
 assign (resid  57 and name HA   ) (resid  60 and name HB   )  3.49  1.69  0.52
 assign (resid  59 and name HA   ) (resid  62 and name HB   )  3.90  2.10  0.59
 assign (resid  56 and name HA   ) (resid  59 and name HB*  )  3.11  1.31  0.47
 assign (resid  60 and name HA   ) (resid  60 and name HG2* )  3.26  1.46  0.49
 assign (resid  60 and name HA   ) (resid  60 and name HG11 )  3.70  1.90  0.56
 assign (resid  60 and name HA   ) (resid  60 and name HG12 )  4.10  2.30  0.62
 assign (resid  60 and name HA   ) (resid  60 and name HD1* )  3.60  1.80  0.54
 assign (resid  60 and name HA   ) (resid  63 and name HB1  )  4.93  3.13  0.74
 assign (resid  60 and name HA   ) (resid  63 and name HB2  )  4.17  2.37  0.63
 assign (resid  60 and name HN   ) (resid  60 and name HB   )  3.70  1.90  0.56
 assign (resid  60 and name HB   ) (resid  60 and name HD1* )  3.38  1.58  0.51
 assign (resid  60 and name HN   ) (resid  60 and name HG2* )  3.72  1.92  0.56
 assign (resid  60 and name HG2* ) (resid  60 and name HG11 )  2.49  0.69  0.37
 assign (resid  60 and name HG2* ) (resid  60 and name HD1* )  2.78  0.98  0.42
 assign (resid  60 and name HG2* ) (resid  60 and name HG12 )  3.98  2.18  0.60
 assign (resid  60 and name HD1* ) (resid  87 and name HN   )  5.17  3.37  0.78
 assign (resid  61 and name HA   ) (resid  64 and name HB*  )  3.15  1.35  0.47
 assign (resid  58 and name HA   ) (resid  61 and name HB2  )  3.90  2.10  0.59
 assign (resid  61 and name HB2  ) (resid  62 and name HN   )  3.89  2.09  0.58
 assign (resid  58 and name HA   ) (resid  61 and name HB1  )  4.06  2.26  0.61
 assign (resid  61 and name HN   ) (resid  61 and name HB1  )  3.24  1.44  0.49
 assign (resid  62 and name HA   ) (resid  65 and name HB1  )  4.39  2.59  0.66
 assign (resid  62 and name HA   ) (resid  62 and name HG2* )  3.41  1.61  0.51
 assign (resid  63 and name HA   ) (resid  63 and name HD*  )  4.05  2.25  0.61
 assign (resid  63 and name HA   ) (resid  63 and name HE*  )  4.58  2.78  0.69
 assign (resid  64 and name HA   ) (resid  67 and name HB   )  3.55  1.75  0.53
 assign (resid  65 and name HA   ) (resid  65 and name HE21 )  4.94  3.14  0.74
 assign (resid  62 and name HA   ) (resid  65 and name HB2  )  3.87  2.07  0.58
 assign (resid  43 and name HE*  ) (resid  65 and name HB2  )  4.61  2.81  0.69
 assign (resid  65 and name HN   ) (resid  65 and name HB1  )  3.43  1.63  0.51
 assign (resid  65 and name HB1  ) (resid  65 and name HE21 )  3.95  2.15  0.59
 assign (resid  65 and name HN   ) (resid  65 and name HG1  )  4.00  2.20  0.60
 assign (resid  65 and name HA   ) (resid  65 and name HG1  )  3.58  1.78  0.54
 assign (resid  65 and name HB2  ) (resid  65 and name HG1  )  2.44  0.64  0.37
 assign (resid  65 and name HB1  ) (resid  65 and name HG1  )  2.94  1.14  0.44
 assign (resid  43 and name HE*  ) (resid  65 and name HG1  )  4.02  2.22  0.60
 assign (resid  65 and name HG1  ) (resid  66 and name HN   )  5.11  3.31  0.77
 assign (resid  65 and name HA   ) (resid  65 and name HG2  )  3.53  1.73  0.53
 assign (resid  65 and name HB2  ) (resid  65 and name HG2  )  2.81  1.01  0.42
 assign (resid  65 and name HG2  ) (resid  66 and name HN   )  5.28  3.48  0.79
 assign (resid  66 and name HA2  ) (resid  69 and name HB   )  4.78  2.98  0.72
 assign (resid  67 and name HA   ) (resid  67 and name HG2* )  3.04  1.24  0.46
 assign (resid  67 and name HA   ) (resid  82 and name HD1* )  3.49  1.69  0.52
 assign (resid  67 and name HA   ) (resid  67 and name HG11 )  3.57  1.77  0.54
 assign (resid  67 and name HA   ) (resid  67 and name HG12 )  2.97  1.17  0.45
 assign (resid  67 and name HA   ) (resid  70 and name HB*  )  3.32  1.52  0.50
 assign (resid  67 and name HG2* ) (resid  67 and name HG11 )  3.25  1.45  0.49
 assign (resid  67 and name HG2* ) (resid  67 and name HG12 )  2.52  0.72  0.38
 assign (resid  67 and name HN   ) (resid  67 and name HG12 )  4.32  2.52  0.65
 assign (resid  67 and name HN   ) (resid  67 and name HD1* )  3.45  1.65  0.52
 assign (resid  67 and name HA   ) (resid  67 and name HD1* )  3.98  2.18  0.60
 assign (resid  67 and name HB   ) (resid  67 and name HD1* )  3.14  1.34  0.47
 assign (resid  67 and name HG2* ) (resid  67 and name HD1* )  2.40  0.60  0.36
 assign (resid  65 and name HA   ) (resid  68 and name HB2  )  4.40  2.60  0.66
 assign (resid  68 and name HA   ) (resid  68 and name HG1  )  4.04  2.24  0.61
 assign (resid  68 and name HB2  ) (resid  68 and name HG1  )  2.71  0.91  0.41
 assign (resid  68 and name HG1  ) (resid  69 and name HN   )  3.93  2.13  0.59
 assign (resid  68 and name HB1  ) (resid  68 and name HG2  )  2.91  1.11  0.44
 assign (resid  68 and name HG2  ) (resid  69 and name HN   )  4.24  2.44  0.64
 assign (resid  69 and name HA   ) (resid  69 and name HG1* )  4.16  2.36  0.62
 assign (resid  69 and name HA   ) (resid  69 and name HG2* )  3.20  1.40  0.48
 assign (resid  69 and name HA   ) (resid  72 and name HN   )  4.16  2.36  0.62
 assign (resid  69 and name HA   ) (resid  72 and name HB2  )  4.03  2.23  0.60
 assign (resid  40 and name HB   ) (resid  66 and name HA1  )  6.50  4.70  0.98
 assign (resid  66 and name HA1  ) (resid  69 and name HB   )  6.50  4.70  0.98
 assign (resid  69 and name HN   ) (resid  69 and name HB   )  3.61  1.81  0.54
 assign (resid  69 and name HG1* ) (resid  70 and name HN   )  6.50  4.70  0.98
 assign (resid  40 and name HA   ) (resid  69 and name HG2* )  2.90  1.10  0.44
 assign (resid  69 and name HG2* ) (resid  70 and name HN   )  3.44  1.64  0.52
 assign (resid  70 and name HB*  ) (resid  71 and name HN   )  3.48  1.68  0.52
 assign (resid  71 and name HA   ) (resid  71 and name HB1  )  2.99  1.19  0.45
 assign (resid  71 and name HA   ) (resid  71 and name HG2  )  3.92  2.12  0.59
 assign (resid  71 and name HA   ) (resid  71 and name HD2  )  5.63  3.83  0.84
 assign (resid  71 and name HA   ) (resid  71 and name HD1  )  5.63  3.83  0.84
 assign (resid  71 and name HB2  ) (resid  76 and name HA   )  5.50  3.70  0.83
 assign (resid  71 and name HB2  ) (resid  72 and name HN   )  3.73  1.93  0.56
 assign (resid  71 and name HB1  ) (resid  76 and name HA   )  5.00  3.20  0.75
 assign (resid  71 and name HN   ) (resid  71 and name HB1  )  3.35  1.55  0.50
 assign (resid  71 and name HB1  ) (resid  72 and name HN   )  3.95  2.15  0.59
 assign (resid  71 and name HG2  ) (resid  72 and name HN   )  4.95  3.15  0.74
 assign (resid  71 and name HB2  ) (resid  71 and name HG1  )  2.83  1.03  0.42
 assign (resid  71 and name HN   ) (resid  71 and name HD2  )  5.01  3.21  0.75
 assign (resid  71 and name HN   ) (resid  71 and name HD1  )  5.01  3.21  0.75
 assign (resid  71 and name HB2  ) (resid  71 and name HD2  )  3.85  2.05  0.58
 assign (resid  71 and name HB2  ) (resid  71 and name HD1  )  3.85  2.05  0.58
 assign (resid  71 and name HD2  ) (resid  72 and name HN   )  5.61  3.81  0.84
 assign (resid  71 and name HD1  ) (resid  72 and name HN   )  5.61  3.81  0.84
 assign (resid  72 and name HA   ) (resid  72 and name HG2  )  3.62  1.82  0.54
 assign (resid  72 and name HB2  ) (resid  73 and name HG2  )  3.96  2.16  0.59
 assign (resid  69 and name HA   ) (resid  72 and name HB1  )  4.61  2.81  0.69
 assign (resid  72 and name HN   ) (resid  72 and name HG2  )  3.76  1.96  0.56
 assign (resid  72 and name HG2  ) (resid  73 and name HN   )  5.02  3.22  0.75
 assign (resid  72 and name HN   ) (resid  72 and name HG1  )  3.76  1.96  0.56
 assign (resid  72 and name HA   ) (resid  72 and name HG1  )  3.62  1.82  0.54
 assign (resid  72 and name HG1  ) (resid  73 and name HN   )  5.02  3.22  0.75
 assign (resid  73 and name HA   ) (resid  73 and name HG2  )  3.44  1.64  0.52
 assign (resid  73 and name HA   ) (resid  73 and name HG1  )  4.09  2.29  0.61
 assign (resid  75 and name HA   ) (resid  75 and name HG2* )  3.19  1.39  0.48
 assign (resid  75 and name HN   ) (resid  75 and name HG2* )  3.60  1.80  0.54
 assign (resid  75 and name HG2* ) (resid  76 and name HN   )  4.07  2.27  0.61
 assign (resid  68 and name HA   ) (resid  68 and name HB1  )  2.99  1.19  0.45
 assign (resid  68 and name HA   ) (resid  68 and name HG2  )  3.68  1.88  0.55
 assign (resid  76 and name HA   ) (resid  79 and name HN   )  3.53  1.73  0.53
 assign (resid  76 and name HA   ) (resid  79 and name HB1  )  3.08  1.28  0.46
 assign (resid  76 and name HN   ) (resid  76 and name HG2  )  5.27  3.47  0.79
 assign (resid  76 and name HN   ) (resid  76 and name HG1  )  5.27  3.47  0.79
 assign (resid  77 and name HA   ) (resid  77 and name HG2  )  3.40  1.60  0.51
 assign (resid  77 and name HA   ) (resid  77 and name HD2  )  5.35  3.55  0.80
 assign (resid  77 and name HA   ) (resid  77 and name HD1  )  5.35  3.55  0.80
 assign (resid  77 and name HA   ) (resid  80 and name HN   )  4.25  2.45  0.64
 assign (resid  77 and name HA   ) (resid  77 and name HB2  )  2.91  1.11  0.44
 assign (resid  77 and name HB2  ) (resid  77 and name HD2  )  3.46  1.66  0.52
 assign (resid  77 and name HB2  ) (resid  77 and name HD1  )  3.46  1.66  0.52
 assign (resid  77 and name HB2  ) (resid  77 and name HE2  )  5.36  3.56  0.80
 assign (resid  77 and name HB2  ) (resid  77 and name HE1  )  5.36  3.56  0.80
 assign (resid  77 and name HG1  ) (resid  78 and name HN   )  6.36  4.56  0.95
 assign (resid  78 and name HA   ) (resid  81 and name HB2  )  3.34  1.54  0.50
 assign (resid  78 and name HA   ) (resid  81 and name HB1  )  4.70  2.90  0.70
 assign (resid  79 and name HA   ) (resid  79 and name HG   )  3.72  1.92  0.56
 assign (resid  45 and name HA   ) (resid  48 and name HG2  )  3.22  1.42  0.48
 assign (resid  79 and name HA   ) (resid  79 and name HD1* )  3.05  1.25  0.46
 assign (resid  79 and name HA   ) (resid  82 and name HN   )  4.64  2.84  0.70
 assign (resid  79 and name HA   ) (resid  82 and name HB2  )  4.04  2.24  0.61
 assign (resid  76 and name HA   ) (resid  79 and name HB2  )  3.83  2.03  0.57
 assign (resid  79 and name HB2  ) (resid  79 and name HD1* )  3.28  1.48  0.49
 assign (resid  79 and name HB1  ) (resid  79 and name HD2* )  3.06  1.26  0.46
 assign (resid  79 and name HA   ) (resid  79 and name HD2* )  4.03  2.23  0.60
 assign (resid  79 and name HB2  ) (resid  79 and name HD2* )  3.08  1.28  0.46
 assign (resid  71 and name HB1  ) (resid  79 and name HD2* )  3.01  1.21  0.45
 assign (resid  79 and name HN   ) (resid  79 and name HD1* )  4.40  2.60  0.66
 assign (resid  79 and name HB1  ) (resid  79 and name HD1* )  3.19  1.39  0.48
 assign (resid  80 and name HA   ) (resid  83 and name HB2  )  3.68  1.88  0.55
 assign (resid  80 and name HA   ) (resid  83 and name HB1  )  3.93  2.13  0.59
 assign (resid  81 and name HG2  ) (resid  82 and name HN   )  5.61  3.81  0.84
 assign (resid  81 and name HG1  ) (resid  82 and name HN   )  5.61  3.81  0.84
 assign (resid  82 and name HA   ) (resid  82 and name HG   )  3.48  1.68  0.52
 assign (resid  79 and name HA   ) (resid  82 and name HB1  )  5.09  3.29  0.76
 assign (resid  82 and name HB2  ) (resid  82 and name HG   )  2.75  0.95  0.41
 assign (resid  82 and name HG   ) (resid  83 and name HN   )  5.43  3.63  0.81
 assign (resid  82 and name HA   ) (resid  82 and name HD1* )  3.75  1.95  0.56
 assign (resid  67 and name HG11 ) (resid  82 and name HD1* )  3.41  1.61  0.51
 assign (resid  82 and name HB2  ) (resid  82 and name HD1* )  3.55  1.75  0.53
 assign (resid  82 and name HB1  ) (resid  82 and name HD1* )  3.27  1.47  0.49
 assign (resid  82 and name HD1* ) (resid  83 and name HN   )  4.72  2.92  0.71
 assign (resid  82 and name HN   ) (resid  82 and name HD2* )  3.92  2.12  0.59
 assign (resid  82 and name HA   ) (resid  82 and name HD2* )  2.99  1.19  0.45
 assign (resid  82 and name HB2  ) (resid  82 and name HD2* )  3.31  1.51  0.50
 assign (resid  82 and name HB1  ) (resid  82 and name HD2* )  2.98  1.18  0.45
 assign (resid  15 and name HA   ) (resid  15 and name HB1  )  2.84  1.04  0.43
 assign (resid  83 and name HA   ) (resid  83 and name HG2  )  3.31  1.51  0.50
 assign (resid  83 and name HA   ) (resid  83 and name HG1  )  3.72  1.92  0.56
 assign (resid  83 and name HA   ) (resid  83 and name HE21 )  4.91  3.11  0.74
 assign (resid  83 and name HA   ) (resid  83 and name HB1  )  2.92  1.12  0.44
 assign (resid  83 and name HG1  ) (resid  84 and name HN   )  4.94  3.14  0.74
 assign (resid  84 and name HA   ) (resid  87 and name HN   )  3.75  1.95  0.56
 assign (resid  84 and name HA   ) (resid  87 and name HB1  )  5.00  3.20  0.75
 assign (resid  81 and name HA   ) (resid  84 and name HB2  )  3.54  1.74  0.53
 assign (resid  84 and name HB2  ) (resid  85 and name HN   )  3.40  1.60  0.51
 assign (resid  81 and name HA   ) (resid  84 and name HB1  )  3.46  1.66  0.52
 assign (resid  70 and name HA   ) (resid  74 and name HN   )  4.05  2.25  0.61
 assign (resid  85 and name HA   ) (resid  88 and name HN   )  3.80  2.00  0.57
 assign (resid  70 and name HA   ) (resid  73 and name HB2  )  4.26  2.46  0.64
 assign (resid  82 and name HA   ) (resid  85 and name HB*  )  3.28  1.48  0.49
 assign (resid  86 and name HA   ) (resid  86 and name HG2  )  3.71  1.91  0.56
 assign (resid  86 and name HA   ) (resid  86 and name HG1  )  3.88  2.08  0.58
 assign (resid  63 and name HB2  ) (resid  86 and name HA   )  4.63  2.83  0.69
 assign (resid  86 and name HA   ) (resid  86 and name HE1  )  5.25  3.45  0.79
 assign (resid  86 and name HA   ) (resid  89 and name HB*  )  3.57  1.77  0.54
 assign (resid  83 and name HA   ) (resid  86 and name HB2  )  6.50  4.70  0.98
 assign (resid  83 and name HA   ) (resid  86 and name HB1  )  5.01  3.21  0.75
 assign (resid  63 and name HB2  ) (resid  86 and name HG2  )  4.29  2.49  0.64
 assign (resid  86 and name HA   ) (resid  86 and name HD2  )  4.90  3.10  0.74
 assign (resid  86 and name HB2  ) (resid  86 and name HD2  )  3.44  1.64  0.52
 assign (resid  86 and name HB1  ) (resid  86 and name HD2  )  3.66  1.86  0.55
 assign (resid  86 and name HG1  ) (resid  86 and name HD1  )  2.72  0.92  0.41
 assign (resid  63 and name HB2  ) (resid  86 and name HD2  )  3.73  1.93  0.56
 assign (resid  86 and name HD2  ) (resid  87 and name HN   )  6.50  4.70  0.98
 assign (resid  86 and name HN   ) (resid  86 and name HE2  )  5.76  3.96  0.86
 assign (resid  86 and name HB2  ) (resid  86 and name HE2  )  4.26  2.46  0.64
 assign (resid  86 and name HB1  ) (resid  86 and name HE2  )  4.52  2.72  0.68
 assign (resid  86 and name HG2  ) (resid  86 and name HE2  )  4.15  2.35  0.62
 assign (resid  86 and name HG1  ) (resid  86 and name HE2  )  3.20  1.40  0.48
 assign (resid  86 and name HD1  ) (resid  86 and name HE2  )  2.83  1.03  0.42
 assign (resid  86 and name HE2  ) (resid  87 and name HN   )  5.52  3.72  0.83
 assign (resid  86 and name HB2  ) (resid  86 and name HE1  )  4.17  2.37  0.63
 assign (resid  86 and name HB1  ) (resid  86 and name HE1  )  4.62  2.82  0.69
 assign (resid  86 and name HG2  ) (resid  86 and name HE1  )  3.65  1.85  0.55
 assign (resid  86 and name HG1  ) (resid  86 and name HE1  )  5.00  3.20  0.75
 assign (resid  86 and name HD2  ) (resid  86 and name HE1  )  2.74  0.94  0.41
 assign (resid  49 and name HA   ) (resid  52 and name HG1  )  5.00  3.20  0.75
 assign (resid  49 and name HA   ) (resid  52 and name HN   )  3.99  2.19  0.60
 assign (resid  87 and name HA   ) (resid  90 and name HG1  )  3.97  2.17  0.60
 assign (resid  87 and name HA   ) (resid  90 and name HB2  )  3.67  1.87  0.55
 assign (resid  87 and name HB1  ) (resid  87 and name HD2* )  2.80  1.00  0.42
 assign (resid  84 and name HA   ) (resid  87 and name HB2  )  4.56  2.76  0.68
 assign (resid  87 and name HN   ) (resid  87 and name HB2  )  3.63  1.83  0.54
 assign (resid  87 and name HB2  ) (resid  88 and name HN   )  4.18  2.38  0.63
 assign (resid  87 and name HN   ) (resid  87 and name HG   )  3.59  1.79  0.54
 assign (resid  87 and name HB1  ) (resid  87 and name HG   )  2.70  0.90  0.41
 assign (resid  17 and name HB2  ) (resid  17 and name HG   )  2.75  0.95  0.41
 assign (resid  87 and name HN   ) (resid  87 and name HD1* )  4.16  2.36  0.62
 assign (resid  87 and name HA   ) (resid  87 and name HD1* )  3.24  1.44  0.49
 assign (resid   9 and name HG1  ) (resid  32 and name HD2* )  2.58  0.78  0.39
 assign (resid  32 and name HB1  ) (resid  32 and name HD2* )  2.93  1.13  0.44
 assign (resid  87 and name HB2  ) (resid  87 and name HD1* )  2.80  1.00  0.42
 assign (resid  88 and name HA   ) (resid  88 and name HG2  )  4.25  2.45  0.64
 assign (resid  68 and name HA   ) (resid  71 and name HG2  )  3.54  1.74  0.53
 assign (resid  88 and name HA   ) (resid  88 and name HE2  )  6.50  4.70  0.98
 assign (resid  88 and name HA   ) (resid  88 and name HE1  )  6.50  4.70  0.98
 assign (resid  88 and name HB2  ) (resid  88 and name HD2  )  3.14  1.34  0.47
 assign (resid  88 and name HB2  ) (resid  88 and name HD1  )  3.14  1.34  0.47
 assign (resid  85 and name HA   ) (resid  88 and name HB1  )  4.01  2.21  0.60
 assign (resid  88 and name HB1  ) (resid  89 and name HN   )  4.19  2.39  0.63
 assign (resid  88 and name HB2  ) (resid  89 and name HN   )  4.56  2.76  0.68
 assign (resid  88 and name HA   ) (resid  88 and name HG1  )  3.77  1.97  0.57
 assign (resid  88 and name HA   ) (resid  88 and name HD2  )  4.80  3.00  0.72
 assign (resid  88 and name HA   ) (resid  88 and name HD1  )  4.80  3.00  0.72
 assign (resid  88 and name HG2  ) (resid  88 and name HE2  )  4.19  2.39  0.63
 assign (resid  88 and name HG2  ) (resid  88 and name HE1  )  4.19  2.39  0.63
 assign (resid  88 and name HB2  ) (resid  88 and name HE2  )  5.03  3.23  0.75
 assign (resid  88 and name HB2  ) (resid  88 and name HE1  )  5.03  3.23  0.75
 assign (resid  90 and name HA   ) (resid  90 and name HG2  )  3.91  2.11  0.59
 assign (resid  51 and name HB2  ) (resid  52 and name HA   )  4.06  2.26  0.61
 assign (resid  90 and name HN   ) (resid  90 and name HB1  )  3.59  1.79  0.54
 assign (resid  90 and name HA   ) (resid  90 and name HG1  )  3.76  1.96  0.56
 assign (resid  90 and name HG1  ) (resid  91 and name HN   )  6.10  4.30  0.92
 assign (resid  92 and name HA   ) (resid  92 and name HB2  )  2.99  1.19  0.45
 assign (resid  92 and name HA   ) (resid  92 and name HD2* )  2.65  0.85  0.40
 assign (resid  92 and name HA   ) (resid  92 and name HD1* )  3.96  2.16  0.59
 assign (resid  92 and name HN   ) (resid  92 and name HB1  )  3.50  1.70  0.53
 assign (resid  92 and name HA   ) (resid  92 and name HG   )  4.17  2.37  0.63
 assign (resid  92 and name HG   ) (resid  93 and name HN   )  6.50  4.70  0.98
 assign (resid  92 and name HB1  ) (resid  92 and name HD2* )  3.30  1.50  0.50
 assign (resid  92 and name HB2  ) (resid  92 and name HD2* )  3.37  1.57  0.51
 assign (resid  92 and name HD2* ) (resid  93 and name HN   )  5.55  3.75  0.83
 assign (resid  92 and name HB2  ) (resid  92 and name HD1* )  2.91  1.11  0.44
 assign (resid  92 and name HB1  ) (resid  92 and name HD1* )  2.99  1.19  0.45
 assign (resid  92 and name HD1* ) (resid  93 and name HN   )  4.06  2.26  0.61
 assign (resid  93 and name HA   ) (resid  93 and name HG2  )  3.96  2.16  0.59
 assign (resid  93 and name HA   ) (resid  93 and name HG1  )  3.96  2.16  0.59
 assign (resid  93 and name HA   ) (resid  94 and name HN   )  3.36  1.56  0.50
 assign (resid   2 and name HB1  ) (resid   3 and name HD1  )  5.02  3.22  0.75
 assign (resid   3 and name HA   ) (resid   8 and name HG2* )  3.41  1.61  0.51
 assign (resid   3 and name HA   ) (resid   5 and name HN   )  4.52  2.72  0.68
 assign (resid   3 and name HB2  ) (resid   5 and name HN   )  5.94  4.14  0.89
 assign (resid   2 and name HA   ) (resid   3 and name HG2  )  5.21  3.41  0.78
 assign (resid   2 and name HA   ) (resid   3 and name HG1  )  5.21  3.41  0.78
 assign (resid   3 and name HB1  ) (resid   8 and name HG2* )  4.51  2.71  0.68
 assign (resid   3 and name HG2  ) (resid   8 and name HG2* )  6.11  4.31  0.92
 assign (resid   3 and name HG1  ) (resid   8 and name HG2* )  6.11  4.31  0.92
 assign (resid   2 and name HB2  ) (resid   3 and name HD2  )  4.10  2.30  0.62
 assign (resid   2 and name HB1  ) (resid   3 and name HD2  )  4.10  2.30  0.62
 assign (resid   2 and name HB2  ) (resid   3 and name HD1  )  5.02  3.22  0.75
 assign (resid   6 and name HA   ) (resid   9 and name HD1  )  4.86  3.06  0.73
 assign (resid   6 and name HA   ) (resid  32 and name HD2* )  3.24  1.44  0.49
 assign (resid   6 and name HA   ) (resid  10 and name HN   )  5.17  3.37  0.78
 assign (resid   6 and name HG1  ) (resid  39 and name HD*  )  5.02  3.22  0.75
 assign (resid   6 and name HA   ) (resid   7 and name HA   )  4.84  3.04  0.73
 assign (resid   5 and name HB1  ) (resid   6 and name HD1  )  5.00  3.20  0.75
 assign (resid   7 and name HB1  ) (resid  10 and name HN   )  6.04  4.24  0.91
 assign (resid   7 and name HA   ) (resid   9 and name HN   )  4.91  3.11  0.74
 assign (resid   7 and name HB1  ) (resid   9 and name HN   )  5.57  3.77  0.84
 assign (resid   7 and name HA   ) (resid  39 and name HE*  )  5.56  3.76  0.83
 assign (resid   7 and name HA   ) (resid  11 and name HB*  )  5.63  3.83  0.84
 assign (resid  47 and name HN   ) (resid  62 and name HB   )  5.07  3.27  0.76
 assign (resid   8 and name HA   ) (resid  12 and name HN   )  4.98  3.18  0.75
 assign (resid   5 and name HB2  ) (resid   8 and name HB   )  4.21  2.41  0.63
 assign (resid   8 and name HB   ) (resid   9 and name HB1  )  5.27  3.47  0.79
 assign (resid  58 and name HB1  ) (resid  62 and name HB   )  6.35  4.55  0.95
 assign (resid   9 and name HD1  ) (resid  32 and name HD2* )  4.27  2.47  0.64
 assign (resid   9 and name HA   ) (resid  28 and name HD2* )  3.50  1.70  0.53
 assign (resid   9 and name HG2  ) (resid  32 and name HD2* )  3.65  1.85  0.55
 assign (resid   4 and name HA   ) (resid   9 and name HD1  )  5.11  3.31  0.77
 assign (resid  10 and name HB2  ) (resid  39 and name HE*  )  4.70  2.90  0.70
 assign (resid  10 and name HB2  ) (resid  32 and name HD2* )  4.59  2.79  0.69
 assign (resid  10 and name HB1  ) (resid  32 and name HD1* )  5.06  3.26  0.76
 assign (resid   7 and name HA   ) (resid  10 and name HD*  )  4.33  2.53  0.65
 assign (resid   7 and name HD*  ) (resid  10 and name HB1  )  4.93  3.13  0.74
 assign (resid   9 and name HN   ) (resid  10 and name HB1  )  5.49  3.69  0.82
 assign (resid  10 and name HA   ) (resid  28 and name HD2* )  5.75  3.95  0.86
 assign (resid  10 and name HA   ) (resid  32 and name HD2* )  6.02  4.22  0.90
 assign (resid   9 and name HG2  ) (resid  10 and name HA   )  4.80  3.00  0.72
 assign (resid   9 and name HG1  ) (resid  10 and name HA   )  4.58  2.78  0.69
 assign (resid  10 and name HA   ) (resid  32 and name HG   )  5.26  3.46  0.79
 assign (resid  11 and name HA   ) (resid  14 and name HG2  )  4.05  2.25  0.61
 assign (resid  11 and name HA   ) (resid  14 and name HG1  )  3.95  2.15  0.59
 assign (resid  12 and name HA   ) (resid  13 and name HB*  )  5.28  3.48  0.79
 assign (resid  11 and name HB*  ) (resid  12 and name HA   )  4.17  2.37  0.63
 assign (resid  12 and name HA   ) (resid  13 and name HA   )  6.50  4.70  0.98
 assign (resid  13 and name HA   ) (resid  14 and name HA   )  6.50  4.70  0.98
 assign (resid   9 and name HA   ) (resid  12 and name HD1* )  4.82  3.02  0.72
 assign (resid  12 and name HD1* ) (resid  15 and name HB2  )  3.40  1.60  0.51
 assign (resid  10 and name HB2  ) (resid  13 and name HB*  )  5.47  3.67  0.82
 assign (resid  13 and name HB*  ) (resid  16 and name HB1  )  5.81  4.01  0.87
 assign (resid  44 and name HD*  ) (resid  82 and name HA   )  4.28  2.48  0.64
 assign (resid  83 and name HB1  ) (resid  87 and name HD2* )  4.42  2.62  0.66
 assign (resid  14 and name HN   ) (resid  15 and name HG1  )  6.50  4.70  0.98
 assign (resid  92 and name HN   ) (resid  93 and name HG2  )  5.31  3.51  0.80
 assign (resid  14 and name HN   ) (resid  15 and name HB2  )  5.61  3.81  0.84
 assign (resid  16 and name HA   ) (resid  18 and name HN   )  5.72  3.92  0.86
 assign (resid  16 and name HB1  ) (resid  21 and name HB1  )  4.00  2.20  0.60
 assign (resid  15 and name HB2  ) (resid  16 and name HA   )  5.62  3.82  0.84
 assign (resid  15 and name HB1  ) (resid  16 and name HA   )  6.36  4.56  0.95
 assign (resid  16 and name HA   ) (resid  17 and name HB2  )  6.10  4.30  0.92
 assign (resid  12 and name HD1* ) (resid  16 and name HA   )  5.95  4.15  0.89
 assign (resid  16 and name HB2  ) (resid  17 and name HD2* )  6.50  4.70  0.98
 assign (resid  16 and name HB2  ) (resid  28 and name HD1* )  6.50  4.70  0.98
 assign (resid  17 and name HB2  ) (resid  29 and name HE*  )  5.98  4.18  0.90
 assign (resid  17 and name HB1  ) (resid  19 and name HN   )  6.50  4.70  0.98
 assign (resid  17 and name HB2  ) (resid  19 and name HN   )  6.50  4.70  0.98
 assign (resid  20 and name HA   ) (resid  21 and name HA   )  6.08  4.28  0.91
 assign (resid  17 and name HD2* ) (resid  20 and name HA   )  5.60  3.80  0.84
 assign (resid  19 and name HN   ) (resid  20 and name HA   )  4.65  2.85  0.70
 assign (resid  21 and name HB2  ) (resid  24 and name HN   )  5.12  3.32  0.77
 assign (resid  16 and name HA   ) (resid  21 and name HB2  )  4.40  2.60  0.66
 assign (resid  16 and name HA   ) (resid  21 and name HB1  )  4.29  2.49  0.64
 assign (resid  16 and name HB2  ) (resid  21 and name HB1  )  4.50  2.70  0.68
 assign (resid  16 and name HB2  ) (resid  21 and name HB2  )  3.98  2.18  0.60
 assign (resid  21 and name HB1  ) (resid  24 and name HB2  )  4.39  2.59  0.66
 assign (resid  21 and name HB2  ) (resid  24 and name HB2  )  4.76  2.96  0.71
 assign (resid  21 and name HB1  ) (resid  24 and name HG1  )  6.03  4.23  0.90
 assign (resid  21 and name HB1  ) (resid  24 and name HB1  )  4.87  3.07  0.73
 assign (resid  21 and name HB2  ) (resid  24 and name HB1  )  5.96  4.16  0.89
 assign (resid  21 and name HB1  ) (resid  25 and name HB*  )  5.30  3.50  0.80
 assign (resid  17 and name HD2* ) (resid  22 and name HA   )  3.36  1.56  0.50
 assign (resid  17 and name HD2* ) (resid  22 and name HB*  )  3.19  1.39  0.48
 assign (resid  22 and name HB*  ) (resid  53 and name HD1* )  3.57  1.77  0.54
 assign (resid  22 and name HB*  ) (resid  23 and name HA   )  4.86  3.06  0.73
 assign (resid  23 and name HA   ) (resid  49 and name HD1* )  6.50  4.70  0.98
 assign (resid  23 and name HA   ) (resid  49 and name HD2* )  6.50  4.70  0.98
 assign (resid  23 and name HA   ) (resid  26 and name HD2* )  4.60  2.80  0.69
 assign (resid  23 and name HB2  ) (resid  26 and name HB1  )  6.50  4.70  0.98
 assign (resid  23 and name HB1  ) (resid  26 and name HB1  )  6.50  4.70  0.98
 assign (resid  21 and name HA   ) (resid  22 and name HA   )  5.40  3.60  0.81
 assign (resid  21 and name HN   ) (resid  22 and name HA   )  5.70  3.90  0.86
 assign (resid  22 and name HB*  ) (resid  26 and name HN   )  6.50  4.70  0.98
 assign (resid  26 and name HN   ) (resid  27 and name HB*  )  6.50  4.70  0.98
 assign (resid  23 and name HB2  ) (resid  26 and name HN   )  6.50  4.70  0.98
 assign (resid  23 and name HB1  ) (resid  26 and name HN   )  6.50  4.70  0.98
 assign (resid  23 and name HB2  ) (resid  26 and name HD2* )  6.50  4.70  0.98
 assign (resid  23 and name HB1  ) (resid  26 and name HD2* )  6.50  4.70  0.98
 assign (resid  16 and name HB2  ) (resid  24 and name HB1  )  6.50  4.70  0.98
 assign (resid  21 and name HB1  ) (resid  24 and name HG2  )  6.50  4.70  0.98
 assign (resid  25 and name HA   ) (resid  27 and name HN   )  4.97  3.17  0.75
 assign (resid  16 and name HD2  ) (resid  25 and name HA   )  4.61  2.81  0.69
 assign (resid  16 and name HN   ) (resid  25 and name HA   )  6.50  4.70  0.98
 assign (resid  13 and name HN   ) (resid  25 and name HA   )  5.00  3.20  0.75
 assign (resid  25 and name HB*  ) (resid  28 and name HN   )  5.48  3.68  0.82
 assign (resid  25 and name HB*  ) (resid  29 and name HE*  )  3.63  1.83  0.54
 assign (resid  16 and name HD2  ) (resid  25 and name HB*  )  4.93  3.13  0.74
 assign (resid  16 and name HB2  ) (resid  25 and name HA   )  4.68  2.88  0.70
 assign (resid  16 and name HB1  ) (resid  25 and name HA   )  4.52  2.72  0.68
 assign (resid  16 and name HB2  ) (resid  25 and name HB*  )  3.56  1.76  0.53
 assign (resid  16 and name HB1  ) (resid  25 and name HB*  )  3.48  1.68  0.52
 assign (resid  25 and name HB*  ) (resid  49 and name HA   )  5.87  4.07  0.88
 assign (resid  17 and name HG   ) (resid  25 and name HB*  )  3.26  1.46  0.49
 assign (resid  25 and name HA   ) (resid  49 and name HD2* )  4.36  2.56  0.65
 assign (resid  25 and name HA   ) (resid  28 and name HD1* )  3.54  1.74  0.53
 assign (resid  13 and name HB*  ) (resid  25 and name HA   )  3.54  1.74  0.53
 assign (resid  12 and name HG   ) (resid  25 and name HA   )  5.71  3.91  0.86
 assign (resid  25 and name HA   ) (resid  27 and name HB*  )  6.05  4.25  0.91
 assign (resid  25 and name HA   ) (resid  28 and name HG   )  4.07  2.27  0.61
 assign (resid  17 and name HD2* ) (resid  25 and name HB*  )  2.77  0.97  0.42
 assign (resid  25 and name HB*  ) (resid  28 and name HD1* )  3.79  1.99  0.57
 assign (resid  13 and name HB*  ) (resid  25 and name HB*  )  3.45  1.65  0.52
 assign (resid  26 and name HD1* ) (resid  50 and name HE*  )  3.44  1.64  0.52
 assign (resid  26 and name HD1* ) (resid  50 and name HD*  )  4.11  2.31  0.62
 assign (resid  26 and name HA   ) (resid  29 and name HD*  )  4.15  2.35  0.62
 assign (resid  26 and name HD1* ) (resid  30 and name HG2  )  4.14  2.34  0.62
 assign (resid  26 and name HG   ) (resid  30 and name HB2  )  6.50  4.70  0.98
 assign (resid  26 and name HB2  ) (resid  46 and name HD1* )  5.82  4.02  0.87
 assign (resid  26 and name HG   ) (resid  46 and name HD1* )  5.56  3.76  0.83
 assign (resid  26 and name HD1* ) (resid  46 and name HD1* )  3.04  1.24  0.46
 assign (resid  26 and name HD1* ) (resid  49 and name HB1  )  3.53  1.73  0.53
 assign (resid  26 and name HB2  ) (resid  49 and name HG   )  5.00  3.20  0.75
 assign (resid  13 and name HB*  ) (resid  28 and name HA   )  5.32  3.52  0.80
 assign (resid  27 and name HB*  ) (resid  28 and name HB2  )  4.86  3.06  0.73
 assign (resid  27 and name HB*  ) (resid  28 and name HB1  )  5.43  3.63  0.81
 assign (resid  27 and name HB*  ) (resid  28 and name HA   )  4.30  2.50  0.65
 assign (resid  26 and name HN   ) (resid  27 and name HA   )  6.50  4.70  0.98
 assign (resid  29 and name HB2  ) (resid  42 and name HG2* )  4.74  2.94  0.71
 assign (resid  29 and name HB2  ) (resid  33 and name HG2* )  4.86  3.06  0.73
 assign (resid  29 and name HB2  ) (resid  46 and name HD2* )  4.05  2.25  0.61
 assign (resid  29 and name HB2  ) (resid  46 and name HD1* )  3.73  1.93  0.56
 assign (resid  29 and name HB1  ) (resid  46 and name HB2  )  4.73  2.93  0.71
 assign (resid  13 and name HB*  ) (resid  29 and name HA   )  5.63  3.83  0.84
 assign (resid  29 and name HB1  ) (resid  32 and name HD1* )  4.75  2.95  0.71
 assign (resid  29 and name HB1  ) (resid  46 and name HB1  )  4.73  2.93  0.71
 assign (resid  30 and name HA   ) (resid  46 and name HD2* )  3.30  1.50  0.50
 assign (resid  26 and name HG   ) (resid  30 and name HG2  )  5.53  3.73  0.83
 assign (resid  30 and name HG2  ) (resid  62 and name HG2* )  6.03  4.23  0.90
 assign (resid  30 and name HG2  ) (resid  46 and name HD2* )  4.95  3.15  0.74
 assign (resid  30 and name HG1  ) (resid  33 and name HG2* )  5.47  3.67  0.82
 assign (resid  26 and name HD1* ) (resid  30 and name HG1  )  4.04  2.24  0.61
 assign (resid  30 and name HG2  ) (resid  33 and name HG2* )  4.96  3.16  0.74
 assign (resid   9 and name HE   ) (resid  32 and name HA   )  6.18  4.38  0.93
 assign (resid  31 and name HG2  ) (resid  35 and name HG2* )  4.22  2.42  0.63
 assign (resid  31 and name HA   ) (resid  35 and name HG2* )  4.75  2.95  0.71
 assign (resid  32 and name HB2  ) (resid  33 and name HG2* )  5.62  3.82  0.84
 assign (resid  32 and name HB1  ) (resid  33 and name HG2* )  4.64  2.84  0.70
 assign (resid  10 and name HA   ) (resid  32 and name HD1* )  3.40  1.60  0.51
 assign (resid  29 and name HD*  ) (resid  32 and name HB1  )  5.77  3.97  0.87
 assign (resid  29 and name HD*  ) (resid  32 and name HB2  )  5.48  3.68  0.82
 assign (resid  29 and name HD*  ) (resid  32 and name HD1* )  3.29  1.49  0.49
 assign (resid  42 and name HA   ) (resid  45 and name HD2  )  5.19  3.39  0.78
 assign (resid  33 and name HB   ) (resid  43 and name HE*  )  4.97  3.17  0.75
 assign (resid  37 and name HB2  ) (resid  43 and name HE*  )  5.47  3.67  0.82
 assign (resid  33 and name HG2* ) (resid  43 and name HE*  )  3.63  1.83  0.54
 assign (resid  33 and name HG1* ) (resid  43 and name HE*  )  3.31  1.51  0.50
 assign (resid  32 and name HA   ) (resid  36 and name HN   )  4.49  2.69  0.67
 assign (resid  34 and name HB1  ) (resid  36 and name HN   )  6.50  4.70  0.98
 assign (resid  34 and name HB2  ) (resid  36 and name HN   )  6.50  4.70  0.98
 assign (resid  33 and name HA   ) (resid  37 and name HA   )  3.62  1.82  0.54
 assign (resid  30 and name HA   ) (resid  33 and name HG2* )  3.61  1.81  0.54
 assign (resid  30 and name HA   ) (resid  33 and name HG1* )  4.27  2.47  0.64
 assign (resid  33 and name HG1* ) (resid  37 and name HA   )  4.03  2.23  0.60
 assign (resid  32 and name HB1  ) (resid  33 and name HA   )  6.50  4.70  0.98
 assign (resid  31 and name HB2  ) (resid  35 and name HG2* )  4.72  2.92  0.71
 assign (resid  34 and name HB2  ) (resid  35 and name HG2* )  4.95  3.15  0.74
 assign (resid  32 and name HA   ) (resid  35 and name HG2* )  4.15  2.35  0.62
 assign (resid  34 and name HB2  ) (resid  35 and name HA   )  5.16  3.36  0.77
 assign (resid  34 and name HG2  ) (resid  35 and name HA   )  5.55  3.75  0.83
 assign (resid  34 and name HG1  ) (resid  35 and name HA   )  5.04  3.24  0.76
 assign (resid  34 and name HN   ) (resid  35 and name HA   )  5.46  3.66  0.82
 assign (resid  32 and name HN   ) (resid  35 and name HG2* )  4.72  2.92  0.71
 assign (resid  34 and name HG2  ) (resid  35 and name HB   )  5.35  3.55  0.80
 assign (resid  34 and name HG2  ) (resid  35 and name HG2* )  4.00  2.20  0.60
 assign (resid  31 and name HG1  ) (resid  35 and name HG2* )  4.22  2.42  0.63
 assign (resid  34 and name HG1  ) (resid  35 and name HG2* )  3.60  1.80  0.54
 assign (resid  36 and name HA   ) (resid  37 and name HG2  )  4.76  2.96  0.71
 assign (resid  32 and name HB1  ) (resid  36 and name HB1  )  5.59  3.79  0.84
 assign (resid  32 and name HB1  ) (resid  36 and name HB2  )  5.04  3.24  0.76
 assign (resid  32 and name HD2* ) (resid  36 and name HB1  )  5.21  3.41  0.78
 assign (resid  32 and name HD2* ) (resid  36 and name HB2  )  4.22  2.42  0.63
 assign (resid  37 and name HB1  ) (resid  69 and name HG2* )  5.89  4.09  0.88
 assign (resid  33 and name HG1* ) (resid  37 and name HB1  )  4.94  3.14  0.74
 assign (resid  37 and name HB2  ) (resid  69 and name HG2* )  4.78  2.98  0.72
 assign (resid  38 and name HA   ) (resid  69 and name HG2* )  3.40  1.60  0.51
 assign (resid  36 and name HB1  ) (resid  39 and name HB1  )  5.13  3.33  0.77
 assign (resid  36 and name HB1  ) (resid  39 and name HB2  )  5.50  3.70  0.83
 assign (resid  36 and name HB2  ) (resid  39 and name HB2  )  5.39  3.59  0.81
 assign (resid  40 and name HG1* ) (resid  70 and name HB*  )  3.08  1.28  0.46
 assign (resid  40 and name HG1* ) (resid  70 and name HA   )  3.37  1.57  0.51
 assign (resid  40 and name HG2* ) (resid  70 and name HA   )  3.14  1.34  0.47
 assign (resid  40 and name HG1* ) (resid  41 and name HA1  )  4.46  2.66  0.67
 assign (resid  40 and name HG1* ) (resid  41 and name HA2  )  4.46  2.66  0.67
 assign (resid  39 and name HE*  ) (resid  41 and name HA1  )  5.07  3.27  0.76
 assign (resid  39 and name HE*  ) (resid  41 and name HA2  )  5.07  3.27  0.76
 assign (resid  10 and name HE*  ) (resid  42 and name HA   )  3.84  2.04  0.58
 assign (resid  39 and name HD*  ) (resid  42 and name HB   )  5.37  3.57  0.81
 assign (resid  41 and name HN   ) (resid  42 and name HB   )  6.03  4.23  0.90
 assign (resid  42 and name HB   ) (resid  43 and name HD*  )  6.21  4.41  0.93
 assign (resid  33 and name HG1* ) (resid  42 and name HB   )  5.40  3.60  0.81
 assign (resid  33 and name HG2* ) (resid  42 and name HB   )  4.57  2.77  0.69
 assign (resid  33 and name HG2* ) (resid  42 and name HG2* )  2.75  0.95  0.41
 assign (resid  42 and name HG2* ) (resid  46 and name HB1  )  4.69  2.89  0.70
 assign (resid  33 and name HB   ) (resid  42 and name HG2* )  6.50  4.70  0.98
 assign (resid  33 and name HG2* ) (resid  43 and name HA   )  4.25  2.45  0.64
 assign (resid  43 and name HA   ) (resid  46 and name HD2* )  4.48  2.68  0.67
 assign (resid  42 and name HG2* ) (resid  43 and name HA   )  3.96  2.16  0.59
 assign (resid  43 and name HA   ) (resid  82 and name HD2* )  4.66  2.86  0.70
 assign (resid  43 and name HA   ) (resid  62 and name HG2* )  3.33  1.53  0.50
 assign (resid  29 and name HB1  ) (resid  42 and name HG2* )  3.56  1.76  0.53
 assign (resid  32 and name HB2  ) (resid  42 and name HG2* )  3.65  1.85  0.55
 assign (resid  39 and name HB1  ) (resid  42 and name HG2* )  4.52  2.72  0.68
 assign (resid  42 and name HG2* ) (resid  46 and name HA   )  4.64  2.84  0.70
 assign (resid  30 and name HA   ) (resid  42 and name HG2* )  4.44  2.64  0.67
 assign (resid  43 and name HB2  ) (resid  82 and name HD1* )  4.36  2.56  0.65
 assign (resid  43 and name HA   ) (resid  63 and name HA   )  5.36  3.56  0.80
 assign (resid  29 and name HA   ) (resid  42 and name HG2* )  3.47  1.67  0.52
 assign (resid  42 and name HG2* ) (resid  42 and name HG1  )  3.90  2.10  0.59
 assign (resid  29 and name HD*  ) (resid  42 and name HG2* )  3.04  1.24  0.46
 assign (resid  44 and name HA   ) (resid  85 and name HB*  )  4.76  2.96  0.71
 assign (resid  44 and name HD*  ) (resid  45 and name HA   )  4.23  2.43  0.63
 assign (resid  29 and name HZ   ) (resid  45 and name HA   )  6.23  4.43  0.93
 assign (resid  29 and name HZ   ) (resid  45 and name HB2  )  5.13  3.33  0.77
 assign (resid  29 and name HZ   ) (resid  45 and name HB1  )  5.13  3.33  0.77
 assign (resid  17 and name HD1* ) (resid  45 and name HB2  )  6.44  4.64  0.97
 assign (resid  29 and name HD*  ) (resid  46 and name HA   )  4.51  2.71  0.68
 assign (resid  30 and name HN   ) (resid  46 and name HD2* )  4.68  2.88  0.70
 assign (resid  29 and name HD*  ) (resid  46 and name HD1* )  3.86  2.06  0.58
 assign (resid  46 and name HD1* ) (resid  50 and name HE*  )  3.85  2.05  0.58
 assign (resid  46 and name HD1* ) (resid  50 and name HD*  )  4.98  3.18  0.75
 assign (resid  29 and name HD*  ) (resid  46 and name HD2* )  4.48  2.68  0.67
 assign (resid  46 and name HD2* ) (resid  50 and name HE*  )  3.79  1.99  0.57
 assign (resid  46 and name HD2* ) (resid  50 and name HD*  )  6.50  4.70  0.98
 assign (resid  46 and name HG   ) (resid  50 and name HD*  )  5.71  3.91  0.86
 assign (resid  29 and name HA   ) (resid  46 and name HD1* )  5.09  3.29  0.76
 assign (resid  29 and name HB1  ) (resid  46 and name HA   )  4.98  3.18  0.75
 assign (resid  29 and name HB1  ) (resid  46 and name HD1* )  3.41  1.61  0.51
 assign (resid  30 and name HG1  ) (resid  46 and name HD1* )  3.99  2.19  0.60
 assign (resid  30 and name HG2  ) (resid  46 and name HD1* )  3.82  2.02  0.57
 assign (resid  26 and name HB1  ) (resid  46 and name HD1* )  5.39  3.59  0.81
 assign (resid  30 and name HB1  ) (resid  46 and name HD1* )  5.98  4.18  0.90
 assign (resid  26 and name HA   ) (resid  46 and name HD1* )  3.91  2.11  0.59
 assign (resid  30 and name HA   ) (resid  46 and name HD1* )  4.24  2.44  0.64
 assign (resid  26 and name HA   ) (resid  46 and name HA   )  5.36  3.56  0.80
 assign (resid  45 and name HA   ) (resid  46 and name HA   )  5.79  3.99  0.87
 assign (resid  27 and name HA   ) (resid  46 and name HD1* )  6.12  4.32  0.92
 assign (resid  29 and name HB1  ) (resid  46 and name HD2* )  4.06  2.26  0.61
 assign (resid  30 and name HG1  ) (resid  46 and name HD2* )  4.43  2.63  0.66
 assign (resid  30 and name HB2  ) (resid  46 and name HD2* )  4.20  2.40  0.63
 assign (resid  30 and name HB1  ) (resid  46 and name HD2* )  5.19  3.39  0.78
 assign (resid  46 and name HA   ) (resid  49 and name HD2* )  4.33  2.53  0.65
 assign (resid  46 and name HA   ) (resid  62 and name HG2* )  4.80  3.00  0.72
 assign (resid  42 and name HG2* ) (resid  46 and name HB2  )  4.69  2.89  0.70
 assign (resid  46 and name HG   ) (resid  62 and name HG2* )  4.01  2.21  0.60
 assign (resid  46 and name HD1* ) (resid  62 and name HG2* )  3.76  1.96  0.56
 assign (resid  46 and name HD1* ) (resid  49 and name HD2* )  3.57  1.77  0.54
 assign (resid  47 and name HA1  ) (resid  59 and name HB*  )  4.08  2.28  0.61
 assign (resid  47 and name HA2  ) (resid  59 and name HB*  )  3.97  2.17  0.60
 assign (resid  47 and name HA2  ) (resid  59 and name HA   )  3.92  2.12  0.59
 assign (resid  47 and name HA2  ) (resid  62 and name HB   )  5.04  3.24  0.76
 assign (resid  47 and name HA1  ) (resid  62 and name HB   )  5.31  3.51  0.80
 assign (resid  47 and name HA2  ) (resid  50 and name HE*  )  5.43  3.63  0.81
 assign (resid  47 and name HA2  ) (resid  63 and name HE*  )  5.72  3.92  0.86
 assign (resid  47 and name HA2  ) (resid  50 and name HD*  )  4.66  2.86  0.70
 assign (resid  47 and name HA1  ) (resid  63 and name HE*  )  5.14  3.34  0.77
 assign (resid  47 and name HA1  ) (resid  50 and name HD*  )  4.59  2.79  0.69
 assign (resid  17 and name HD1* ) (resid  48 and name HB2  )  6.07  4.27  0.91
 assign (resid  26 and name HD1* ) (resid  49 and name HB2  )  4.80  3.00  0.72
 assign (resid  46 and name HD1* ) (resid  49 and name HB2  )  4.48  2.68  0.67
 assign (resid  44 and name HE*  ) (resid  48 and name HE2  )  4.28  2.48  0.64
 assign (resid  44 and name HE*  ) (resid  48 and name HE1  )  4.28  2.48  0.64
 assign (resid  29 and name HD*  ) (resid  49 and name HB2  )  6.50  4.70  0.98
 assign (resid  29 and name HE*  ) (resid  49 and name HB2  )  6.50  4.70  0.98
 assign (resid  29 and name HD*  ) (resid  49 and name HG   )  6.50  4.70  0.98
 assign (resid  29 and name HE*  ) (resid  49 and name HG   )  6.50  4.70  0.98
 assign (resid  49 and name HA   ) (resid  51 and name HN   )  4.97  3.17  0.75
 assign (resid  78 and name HA   ) (resid  80 and name HN   )  5.26  3.46  0.79
 assign (resid  53 and name HB1  ) (resid  55 and name HN   )  5.55  3.75  0.83
 assign (resid  50 and name HA   ) (resid  53 and name HG   )  3.74  1.94  0.56
 assign (resid  50 and name HA   ) (resid  53 and name HB2  )  4.38  2.58  0.66
 assign (resid  50 and name HB1  ) (resid  51 and name HG2  )  6.22  4.42  0.93
 assign (resid  50 and name HB2  ) (resid  51 and name HG2  )  5.05  3.25  0.76
 assign (resid  50 and name HB2  ) (resid  58 and name HB1  )  5.58  3.78  0.84
 assign (resid  50 and name HB2  ) (resid  59 and name HA   )  4.49  2.69  0.67
 assign (resid  50 and name HB1  ) (resid  51 and name HA   )  4.94  3.14  0.74
 assign (resid  50 and name HA   ) (resid  59 and name HA   )  5.94  4.14  0.89
 assign (resid  50 and name HA   ) (resid  53 and name HN   )  4.30  2.50  0.65
 assign (resid  50 and name HA   ) (resid  54 and name HN   )  6.11  4.31  0.92
 assign (resid  50 and name HB2  ) (resid  59 and name HB*  )  3.88  2.08  0.58
 assign (resid  50 and name HA   ) (resid  55 and name HG1  )  4.55  2.75  0.68
 assign (resid  50 and name HA   ) (resid  55 and name HB2  )  4.34  2.54  0.65
 assign (resid  50 and name HA   ) (resid  53 and name HD1* )  3.71  1.91  0.56
 assign (resid  50 and name HA   ) (resid  53 and name HD2* )  4.85  3.05  0.73
 assign (resid  51 and name HA   ) (resid  59 and name HB*  )  3.86  2.06  0.58
 assign (resid  51 and name HA   ) (resid  56 and name HG2* )  4.75  2.95  0.71
 assign (resid  51 and name HB2  ) (resid  59 and name HB*  )  4.86  3.06  0.73
 assign (resid  49 and name HD1* ) (resid  52 and name HB2  )  3.75  1.95  0.56
 assign (resid  51 and name HA   ) (resid  56 and name HA   )  4.11  2.31  0.62
 assign (resid  51 and name HA   ) (resid  54 and name HA   )  4.22  2.42  0.63
 assign (resid  51 and name HA   ) (resid  54 and name HN   )  4.34  2.54  0.65
 assign (resid  49 and name HD1* ) (resid  52 and name HD2  )  3.66  1.86  0.55
 assign (resid  49 and name HD1* ) (resid  52 and name HD1  )  3.66  1.86  0.55
 assign (resid  49 and name HD1* ) (resid  52 and name HG2  )  4.93  3.13  0.74
 assign (resid  49 and name HD1* ) (resid  52 and name HB1  )  3.88  2.08  0.58
 assign (resid  53 and name HN   ) (resid  54 and name HA   )  5.07  3.27  0.76
 assign (resid  55 and name HB2  ) (resid  55 and name HE   )  4.84  3.04  0.73
 assign (resid  55 and name HB2  ) (resid  58 and name HB1  )  4.34  2.54  0.65
 assign (resid  53 and name HB1  ) (resid  55 and name HG1  )  5.77  3.97  0.87
 assign (resid  53 and name HG   ) (resid  55 and name HG1  )  6.35  4.55  0.95
 assign (resid  53 and name HB1  ) (resid  55 and name HG2  )  5.32  3.52  0.80
 assign (resid  53 and name HG   ) (resid  55 and name HG2  )  5.92  4.12  0.89
 assign (resid  53 and name HB1  ) (resid  55 and name HD1  )  4.04  2.24  0.61
 assign (resid  53 and name HB1  ) (resid  55 and name HD2  )  5.02  3.22  0.75
 assign (resid  53 and name HD1* ) (resid  55 and name HD2  )  5.18  3.38  0.78
 assign (resid  53 and name HD1* ) (resid  55 and name HD1  )  5.50  3.70  0.83
 assign (resid  26 and name HD2* ) (resid  55 and name HB1  )  5.51  3.71  0.83
 assign (resid  50 and name HA   ) (resid  55 and name HD1  )  6.05  4.25  0.91
 assign (resid  53 and name HA   ) (resid  55 and name HD1  )  6.38  4.58  0.96
 assign (resid  54 and name HA   ) (resid  55 and name HD2  )  5.09  3.29  0.76
 assign (resid  50 and name HD*  ) (resid  55 and name HD2  )  5.26  3.46  0.79
 assign (resid  50 and name HD*  ) (resid  55 and name HD1  )  4.86  3.06  0.73
 assign (resid  50 and name HE*  ) (resid  55 and name HD1  )  6.45  4.65  0.97
 assign (resid  51 and name HG1  ) (resid  56 and name HA   )  5.78  3.98  0.87
 assign (resid  56 and name HB   ) (resid  57 and name HA   )  4.42  2.62  0.66
 assign (resid  56 and name HB   ) (resid  60 and name HD1* )  6.50  4.70  0.98
 assign (resid  56 and name HB   ) (resid  89 and name HB*  )  5.98  4.18  0.90
 assign (resid  56 and name HB   ) (resid  92 and name HB2  )  5.56  3.76  0.83
 assign (resid  57 and name HA   ) (resid  60 and name HG2* )  4.86  3.06  0.73
 assign (resid  55 and name HB1  ) (resid  58 and name HB2  )  4.88  3.08  0.73
 assign (resid  58 and name HB2  ) (resid  59 and name HB*  )  4.83  3.03  0.72
 assign (resid  50 and name HE*  ) (resid  58 and name HB2  )  6.50  4.70  0.98
 assign (resid  50 and name HD*  ) (resid  58 and name HB2  )  5.82  4.02  0.87
 assign (resid  50 and name HD*  ) (resid  58 and name HB1  )  5.82  4.02  0.87
 assign (resid  50 and name HE*  ) (resid  59 and name HA   )  5.97  4.17  0.90
 assign (resid  59 and name HA   ) (resid  63 and name HE*  )  6.46  4.66  0.97
 assign (resid  50 and name HD*  ) (resid  59 and name HA   )  3.85  2.05  0.58
 assign (resid  59 and name HB*  ) (resid  63 and name HE*  )  4.62  2.82  0.69
 assign (resid  50 and name HD*  ) (resid  59 and name HB*  )  3.89  2.09  0.58
 assign (resid  60 and name HA   ) (resid  63 and name HD*  )  4.15  2.35  0.62
 assign (resid  60 and name HA   ) (resid  64 and name HN   )  5.04  3.24  0.76
 assign (resid  47 and name HN   ) (resid  59 and name HA   )  5.06  3.26  0.76
 assign (resid  51 and name HN   ) (resid  59 and name HA   )  5.54  3.74  0.83
 assign (resid  50 and name HN   ) (resid  59 and name HA   )  6.50  4.70  0.98
 assign (resid  47 and name HA1  ) (resid  59 and name HA   )  4.13  2.33  0.62
 assign (resid  50 and name HB1  ) (resid  59 and name HA   )  4.85  3.05  0.73
 assign (resid  50 and name HB1  ) (resid  59 and name HB*  )  3.54  1.74  0.53
 assign (resid  51 and name HG1  ) (resid  59 and name HB*  )  3.40  1.60  0.51
 assign (resid  51 and name HB1  ) (resid  59 and name HB*  )  5.00  3.20  0.75
 assign (resid  51 and name HG2  ) (resid  59 and name HB*  )  3.25  1.45  0.49
 assign (resid  59 and name HB*  ) (resid  62 and name HB   )  4.46  2.66  0.67
 assign (resid  60 and name HA   ) (resid  61 and name HA   )  5.05  3.25  0.76
 assign (resid  60 and name HG2* ) (resid  90 and name HA   )  5.28  3.48  0.79
 assign (resid  60 and name HG2* ) (resid  90 and name HG2  )  4.03  2.23  0.60
 assign (resid  60 and name HG2* ) (resid  64 and name HB*  )  3.90  2.10  0.59
 assign (resid  60 and name HG2* ) (resid  86 and name HD2  )  4.29  2.49  0.64
 assign (resid  56 and name HG2* ) (resid  59 and name HB*  )  3.63  1.83  0.54
 assign (resid  59 and name HB*  ) (resid  60 and name HG11 )  5.27  3.47  0.79
 assign (resid  59 and name HB*  ) (resid  60 and name HD1* )  4.43  2.63  0.66
 assign (resid  60 and name HD1* ) (resid  90 and name HG1  )  4.31  2.51  0.65
 assign (resid  60 and name HD1* ) (resid  90 and name HG2  )  3.92  2.12  0.59
 assign (resid  60 and name HG12 ) (resid  89 and name HB*  )  3.99  2.19  0.60
 assign (resid  60 and name HD1* ) (resid  86 and name HE2  )  5.69  3.89  0.85
 assign (resid  57 and name HA   ) (resid  60 and name HD1* )  4.29  2.49  0.64
 assign (resid  57 and name HA   ) (resid  60 and name HG12 )  6.50  4.70  0.98
 assign (resid  43 and name HD*  ) (resid  62 and name HA   )  5.22  3.42  0.78
 assign (resid  43 and name HE*  ) (resid  62 and name HA   )  5.99  4.19  0.90
 assign (resid  43 and name HD*  ) (resid  62 and name HG2* )  3.48  1.68  0.52
 assign (resid  43 and name HE*  ) (resid  62 and name HG2* )  4.05  2.25  0.61
 assign (resid  50 and name HE*  ) (resid  62 and name HG2* )  4.48  2.68  0.67
 assign (resid  62 and name HG2* ) (resid  63 and name HD*  )  4.83  3.03  0.72
 assign (resid  50 and name HD*  ) (resid  62 and name HG2* )  4.45  2.65  0.67
 assign (resid  59 and name HA   ) (resid  62 and name HG2* )  4.25  2.45  0.64
 assign (resid  47 and name HA1  ) (resid  62 and name HG2* )  4.00  2.20  0.60
 assign (resid  43 and name HB1  ) (resid  62 and name HG2* )  4.29  2.49  0.64
 assign (resid  43 and name HB2  ) (resid  62 and name HG2* )  4.16  2.36  0.62
 assign (resid  60 and name HG2* ) (resid  61 and name HA   )  4.00  2.20  0.60
 assign (resid  33 and name HG2* ) (resid  62 and name HA   )  6.50  4.70  0.98
 assign (resid  46 and name HD2* ) (resid  62 and name HA   )  6.50  4.70  0.98
 assign (resid  60 and name HB   ) (resid  61 and name HB1  )  6.50  4.70  0.98
 assign (resid  61 and name HB1  ) (resid  64 and name HB*  )  5.09  3.29  0.76
 assign (resid  46 and name HD2* ) (resid  62 and name HG2* )  3.10  1.30  0.47
 assign (resid  33 and name HG2* ) (resid  62 and name HG2* )  3.78  1.98  0.57
 assign (resid  63 and name HA   ) (resid  64 and name HB*  )  5.17  3.37  0.78
 assign (resid  62 and name HG2* ) (resid  63 and name HA   )  4.67  2.87  0.70
 assign (resid  63 and name HA   ) (resid  82 and name HB1  )  4.88  3.08  0.73
 assign (resid  63 and name HA   ) (resid  82 and name HD2* )  3.31  1.51  0.50
 assign (resid  63 and name HB1  ) (resid  86 and name HB1  )  4.33  2.53  0.65
 assign (resid  63 and name HB1  ) (resid  86 and name HB2  )  4.62  2.82  0.69
 assign (resid  63 and name HB1  ) (resid  86 and name HD2  )  4.02  2.22  0.60
 assign (resid  63 and name HB1  ) (resid  82 and name HB1  )  4.82  3.02  0.72
 assign (resid  63 and name HB1  ) (resid  67 and name HD1* )  4.36  2.56  0.65
 assign (resid  63 and name HB2  ) (resid  86 and name HB1  )  4.62  2.82  0.69
 assign (resid  63 and name HB2  ) (resid  86 and name HB2  )  4.66  2.86  0.70
 assign (resid  63 and name HB2  ) (resid  82 and name HD2* )  5.21  3.41  0.78
 assign (resid  62 and name HB   ) (resid  63 and name HA   )  4.27  2.47  0.64
 assign (resid  63 and name HB1  ) (resid  86 and name HN   )  4.75  2.95  0.71
 assign (resid  64 and name HA   ) (resid  86 and name HE2  )  6.50  4.70  0.98
 assign (resid  63 and name HB2  ) (resid  64 and name HA   )  4.82  3.02  0.72
 assign (resid  64 and name HB*  ) (resid  86 and name HE2  )  4.25  2.45  0.64
 assign (resid  63 and name HB2  ) (resid  64 and name HB*  )  4.82  3.02  0.72
 assign (resid  64 and name HB*  ) (resid  86 and name HE1  )  5.14  3.34  0.77
 assign (resid  64 and name HA   ) (resid  67 and name HD1* )  3.11  1.31  0.47
 assign (resid  64 and name HB*  ) (resid  67 and name HB   )  4.27  2.47  0.64
 assign (resid  64 and name HB*  ) (resid  67 and name HD1* )  3.28  1.48  0.49
 assign (resid  64 and name HA   ) (resid  67 and name HG11 )  4.27  2.47  0.64
 assign (resid  65 and name HA   ) (resid  67 and name HD1* )  6.27  4.47  0.94
 assign (resid  17 and name HD1* ) (resid  18 and name HA   )  6.04  4.24  0.91
 assign (resid  64 and name HB*  ) (resid  65 and name HB2  )  4.67  2.87  0.70
 assign (resid  62 and name HG2* ) (resid  65 and name HB2  )  5.29  3.49  0.79
 assign (resid  65 and name HB2  ) (resid  69 and name HG2* )  6.50  4.70  0.98
 assign (resid  64 and name HB*  ) (resid  65 and name HB1  )  5.36  3.56  0.80
 assign (resid  65 and name HB1  ) (resid  82 and name HD2* )  6.50  4.70  0.98
 assign (resid  65 and name HB1  ) (resid  69 and name HG2* )  4.28  2.48  0.64
 assign (resid  33 and name HG1* ) (resid  65 and name HB1  )  5.11  3.31  0.77
 assign (resid  46 and name HD2* ) (resid  65 and name HB1  )  6.50  4.70  0.98
 assign (resid  65 and name HB1  ) (resid  82 and name HD1* )  6.50  4.70  0.98
 assign (resid  64 and name HB*  ) (resid  65 and name HG2  )  4.43  2.63  0.66
 assign (resid  33 and name HG1* ) (resid  65 and name HG2  )  5.48  3.68  0.82
 assign (resid  66 and name HA1  ) (resid  82 and name HD1* )  3.84  2.04  0.58
 assign (resid  40 and name HG2* ) (resid  66 and name HA1  )  6.50  4.70  0.98
 assign (resid  43 and name HB2  ) (resid  66 and name HA1  )  4.53  2.73  0.68
 assign (resid  43 and name HB2  ) (resid  66 and name HA2  )  5.03  3.23  0.75
 assign (resid  66 and name HA2  ) (resid  70 and name HB*  )  5.05  3.25  0.76
 assign (resid  66 and name HA2  ) (resid  82 and name HD2* )  5.55  3.75  0.83
 assign (resid  66 and name HA2  ) (resid  69 and name HG1* )  6.50  4.70  0.98
 assign (resid  66 and name HA2  ) (resid  82 and name HD1* )  3.86  2.06  0.58
 assign (resid  67 and name HA   ) (resid  79 and name HB2  )  4.24  2.44  0.64
 assign (resid  67 and name HA   ) (resid  82 and name HB1  )  4.65  2.85  0.70
 assign (resid  67 and name HA   ) (resid  79 and name HD1* )  3.37  1.57  0.51
 assign (resid  66 and name HA2  ) (resid  67 and name HA   )  6.50  4.70  0.98
 assign (resid  67 and name HA   ) (resid  83 and name HG1  )  6.50  4.70  0.98
 assign (resid  67 and name HA   ) (resid  79 and name HA   )  4.55  2.75  0.68
 assign (resid  43 and name HD*  ) (resid  66 and name HA1  )  5.18  3.38  0.78
 assign (resid  43 and name HN   ) (resid  66 and name HA1  )  6.23  4.43  0.93
 assign (resid  43 and name HE*  ) (resid  66 and name HA1  )  5.07  3.27  0.76
 assign (resid  43 and name HD*  ) (resid  65 and name HB2  )  5.06  3.26  0.76
 assign (resid  43 and name HD*  ) (resid  65 and name HB1  )  4.96  3.16  0.74
 assign (resid  67 and name HA   ) (resid  71 and name HN   )  5.02  3.22  0.75
 assign (resid  43 and name HD*  ) (resid  66 and name HA2  )  5.26  3.46  0.79
 assign (resid  67 and name HD1* ) (resid  86 and name HD2  )  3.70  1.90  0.56
 assign (resid  67 and name HD1* ) (resid  86 and name HD1  )  3.34  1.54  0.50
 assign (resid  67 and name HD1* ) (resid  82 and name HB1  )  3.60  1.80  0.54
 assign (resid  67 and name HG2* ) (resid  79 and name HD1* )  2.74  0.94  0.41
 assign (resid  67 and name HG2* ) (resid  79 and name HG   )  4.19  2.39  0.63
 assign (resid  67 and name HG2* ) (resid  83 and name HG2  )  3.78  1.98  0.57
 assign (resid  67 and name HG2* ) (resid  83 and name HG1  )  3.87  2.07  0.58
 assign (resid  67 and name HD1* ) (resid  83 and name HG1  )  3.93  2.13  0.59
 assign (resid  67 and name HG12 ) (resid  83 and name HG2  )  5.62  3.82  0.84
 assign (resid  67 and name HG12 ) (resid  83 and name HA   )  4.88  3.08  0.73
 assign (resid  64 and name HA   ) (resid  67 and name HG12 )  6.50  4.70  0.98
 assign (resid  67 and name HG2* ) (resid  68 and name HA   )  3.51  1.71  0.53
 assign (resid  67 and name HG12 ) (resid  79 and name HD1* )  4.68  2.88  0.70
 assign (resid  67 and name HG11 ) (resid  82 and name HD2* )  5.93  4.13  0.89
 assign (resid  67 and name HG2* ) (resid  83 and name HE21 )  4.79  2.99  0.72
 assign (resid  67 and name HD1* ) (resid  83 and name HE21 )  5.52  3.72  0.83
 assign (resid  67 and name HD1* ) (resid  83 and name HE22 )  5.52  3.72  0.83
 assign (resid  40 and name HB   ) (resid  43 and name HN   )  6.50  4.70  0.98
 assign (resid  68 and name HN   ) (resid  69 and name HB   )  6.50  4.70  0.98
 assign (resid  43 and name HE*  ) (resid  69 and name HB   )  5.34  3.54  0.80
 assign (resid  43 and name HE*  ) (resid  69 and name HG2* )  3.19  1.39  0.48
 assign (resid  43 and name HE*  ) (resid  69 and name HG1* )  4.96  3.16  0.74
 assign (resid  66 and name HA2  ) (resid  69 and name HG2* )  3.31  1.51  0.50
 assign (resid  68 and name HB2  ) (resid  69 and name HG2* )  3.54  1.74  0.53
 assign (resid  69 and name HA   ) (resid  73 and name HB1  )  5.63  3.83  0.84
 assign (resid  69 and name HA   ) (resid  73 and name HG2  )  4.99  3.19  0.75
 assign (resid  40 and name HB   ) (resid  70 and name HA   )  4.43  2.63  0.66
 assign (resid  69 and name HB   ) (resid  70 and name HA   )  5.01  3.21  0.75
 assign (resid  70 and name HA   ) (resid  78 and name HB1  )  5.37  3.57  0.81
 assign (resid  40 and name HG1* ) (resid  69 and name HA   )  6.50  4.70  0.98
 assign (resid  67 and name HG2* ) (resid  69 and name HA   )  6.50  4.70  0.98
 assign (resid  70 and name HB*  ) (resid  79 and name HB2  )  2.88  1.08  0.43
 assign (resid  70 and name HB*  ) (resid  79 and name HB1  )  3.56  1.76  0.53
 assign (resid  70 and name HB*  ) (resid  78 and name HB1  )  3.83  2.03  0.57
 assign (resid  40 and name HG2* ) (resid  70 and name HB*  )  2.84  1.04  0.43
 assign (resid  70 and name HB*  ) (resid  82 and name HD1* )  3.23  1.43  0.48
 assign (resid  71 and name HA   ) (resid  79 and name HD2* )  3.72  1.92  0.56
 assign (resid  70 and name HB*  ) (resid  71 and name HB2  )  5.32  3.52  0.80
 assign (resid   9 and name HD2  ) (resid  28 and name HD2* )  4.66  2.86  0.70
 assign (resid  71 and name HG1  ) (resid  79 and name HD2* )  4.25  2.45  0.64
 assign (resid  71 and name HG1  ) (resid  73 and name HN   )  5.61  3.81  0.84
 assign (resid  72 and name HN   ) (resid  73 and name HB2  )  5.96  4.16  0.89
 assign (resid  72 and name HN   ) (resid  73 and name HB1  )  6.44  4.64  0.97
 assign (resid  70 and name HA   ) (resid  73 and name HB1  )  6.29  4.49  0.94
 assign (resid  73 and name HB1  ) (resid  74 and name HA1  )  6.50  4.70  0.98
 assign (resid  73 and name HB2  ) (resid  74 and name HA1  )  5.81  4.01  0.87
 assign (resid  69 and name HG2* ) (resid  73 and name HB1  )  5.51  3.71  0.83
 assign (resid  69 and name HG1* ) (resid  73 and name HB1  )  5.27  3.47  0.79
 assign (resid  70 and name HB*  ) (resid  73 and name HB2  )  5.52  3.72  0.83
 assign (resid  40 and name HG2* ) (resid  73 and name HB2  )  4.35  2.55  0.65
 assign (resid  69 and name HG2* ) (resid  73 and name HG2  )  4.56  2.76  0.68
 assign (resid  69 and name HG2* ) (resid  73 and name HG1  )  4.11  2.31  0.62
 assign (resid  70 and name HB*  ) (resid  74 and name HA1  )  4.51  2.71  0.68
 assign (resid  40 and name HG2* ) (resid  74 and name HA1  )  4.16  2.36  0.62
 assign (resid  40 and name HG1* ) (resid  74 and name HA1  )  4.43  2.63  0.66
 assign (resid  40 and name HG1* ) (resid  74 and name HA2  )  5.44  3.64  0.82
 assign (resid  73 and name HN   ) (resid  74 and name HA1  )  5.14  3.34  0.77
 assign (resid  74 and name HN   ) (resid  75 and name HG2* )  5.60  3.80  0.84
 assign (resid  75 and name HA   ) (resid  76 and name HB2  )  4.84  3.04  0.73
 assign (resid  77 and name HB1  ) (resid  81 and name HN   )  6.08  4.28  0.91
 assign (resid  75 and name HN   ) (resid  78 and name HB1  )  5.19  3.39  0.78
 assign (resid  40 and name HB   ) (resid  78 and name HB1  )  6.50  4.70  0.98
 assign (resid  78 and name HB1  ) (resid  79 and name HB1  )  6.50  4.70  0.98
 assign (resid  78 and name HB1  ) (resid  82 and name HG   )  6.50  4.70  0.98
 assign (resid  40 and name HG2* ) (resid  78 and name HB1  )  4.62  2.82  0.69
 assign (resid  40 and name HB   ) (resid  78 and name HB2  )  6.50  4.70  0.98
 assign (resid  78 and name HB2  ) (resid  79 and name HB1  )  6.50  4.70  0.98
 assign (resid  78 and name HB2  ) (resid  79 and name HB2  )  5.38  3.58  0.81
 assign (resid  70 and name HB*  ) (resid  78 and name HB2  )  4.05  2.25  0.61
 assign (resid  78 and name HB2  ) (resid  82 and name HD1* )  6.16  4.36  0.92
 assign (resid  76 and name HA   ) (resid  79 and name HD2* )  3.52  1.72  0.53
 assign (resid  79 and name HD1* ) (resid  83 and name HA   )  4.59  2.79  0.69
 assign (resid  79 and name HG   ) (resid  80 and name HA   )  5.14  3.34  0.77
 assign (resid  17 and name HD1* ) (resid  29 and name HE*  )  3.30  1.50  0.50
 assign (resid  17 and name HD1* ) (resid  29 and name HZ   )  3.88  2.08  0.58
 assign (resid  82 and name HB1  ) (resid  86 and name HD2  )  5.05  3.25  0.76
 assign (resid  82 and name HB1  ) (resid  86 and name HD1  )  5.61  3.81  0.84
 assign (resid  79 and name HD1* ) (resid  82 and name HB2  )  4.97  3.17  0.75
 assign (resid  40 and name HG1* ) (resid  82 and name HD2* )  3.54  1.74  0.53
 assign (resid  43 and name HB1  ) (resid  82 and name HD2* )  3.45  1.65  0.52
 assign (resid  63 and name HB1  ) (resid  82 and name HD2* )  4.46  2.66  0.67
 assign (resid  40 and name HA   ) (resid  82 and name HD2* )  4.94  3.14  0.74
 assign (resid  43 and name HD*  ) (resid  82 and name HD1* )  5.83  4.03  0.87
 assign (resid  43 and name HN   ) (resid  82 and name HD1* )  5.62  3.82  0.84
 assign (resid  68 and name HN   ) (resid  82 and name HD1* )  6.02  4.22  0.90
 assign (resid  80 and name HA   ) (resid  83 and name HG2  )  5.48  3.68  0.82
 assign (resid  79 and name HG   ) (resid  83 and name HG2  )  5.87  4.07  0.88
 assign (resid  79 and name HG   ) (resid  83 and name HG1  )  4.68  2.88  0.70
 assign (resid  15 and name HA   ) (resid  18 and name HG2  )  4.64  2.84  0.70
 assign (resid  67 and name HG12 ) (resid  83 and name HB2  )  4.95  3.15  0.74
 assign (resid  67 and name HD1* ) (resid  83 and name HB2  )  5.24  3.44  0.79
 assign (resid  79 and name HD1* ) (resid  83 and name HG2  )  3.99  2.19  0.60
 assign (resid  67 and name HD1* ) (resid  83 and name HG2  )  3.55  1.75  0.53
 assign (resid  79 and name HD1* ) (resid  83 and name HG1  )  3.63  1.83  0.54
 assign (resid  67 and name HG12 ) (resid  83 and name HG1  )  3.68  1.88  0.55
 assign (resid  84 and name HA   ) (resid  87 and name HD2* )  3.48  1.68  0.52
 assign (resid  84 and name HA   ) (resid  85 and name HB*  )  5.31  3.51  0.80
 assign (resid  84 and name HB1  ) (resid  85 and name HB*  )  4.41  2.61  0.66
 assign (resid  84 and name HB1  ) (resid  87 and name HD2* )  4.84  3.04  0.73
 assign (resid  84 and name HB2  ) (resid  85 and name HB*  )  5.14  3.34  0.77
 assign (resid  84 and name HB2  ) (resid  87 and name HD2* )  5.66  3.86  0.85
 assign (resid  85 and name HA   ) (resid  88 and name HG1  )  3.75  1.95  0.56
 assign (resid  82 and name HD2* ) (resid  85 and name HB*  )  3.64  1.84  0.55
 assign (resid  85 and name HB*  ) (resid  89 and name HB*  )  4.24  2.44  0.64
 assign (resid  84 and name HB1  ) (resid  85 and name HA   )  6.02  4.22  0.90
 assign (resid  44 and name HD*  ) (resid  85 and name HB*  )  3.69  1.89  0.55
 assign (resid  63 and name HE*  ) (resid  85 and name HB*  )  5.14  3.34  0.77
 assign (resid  63 and name HD*  ) (resid  85 and name HB*  )  4.81  3.01  0.72
 assign (resid  44 and name HE*  ) (resid  85 and name HA   )  4.99  3.19  0.75
 assign (resid  82 and name HN   ) (resid  85 and name HB*  )  4.63  2.83  0.69
 assign (resid  63 and name HD*  ) (resid  86 and name HA   )  4.12  2.32  0.62
 assign (resid  63 and name HB1  ) (resid  86 and name HA   )  4.79  2.99  0.72
 assign (resid  60 and name HD1* ) (resid  86 and name HB1  )  4.90  3.10  0.74
 assign (resid  60 and name HD1* ) (resid  86 and name HB2  )  4.69  2.89  0.70
 assign (resid  60 and name HG2* ) (resid  86 and name HA   )  4.58  2.78  0.69
 assign (resid  60 and name HD1* ) (resid  86 and name HA   )  4.35  2.55  0.65
 assign (resid  85 and name HA   ) (resid  88 and name HG2  )  5.02  3.22  0.75
 assign (resid  89 and name HA   ) (resid  92 and name HG   )  3.50  1.70  0.53
 assign (resid  86 and name HA   ) (resid  89 and name HA   )  5.45  3.65  0.82
 assign (resid  89 and name HA   ) (resid  92 and name HD1* )  3.52  1.72  0.53
 assign (resid  85 and name HB*  ) (resid  89 and name HA   )  6.01  4.21  0.90
 assign (resid  60 and name HG11 ) (resid  89 and name HB*  )  4.02  2.22  0.60
 assign (resid  60 and name HD1* ) (resid  89 and name HB*  )  3.43  1.63  0.51
 assign (resid  89 and name HB*  ) (resid  90 and name HG2  )  4.84  3.04  0.73
 assign (resid  60 and name HG11 ) (resid  90 and name HG2  )  4.20  2.40  0.63
 assign (resid  60 and name HG2* ) (resid  90 and name HG1  )  4.29  2.49  0.64
 assign (resid  87 and name HD1* ) (resid  90 and name HG1  )  6.50  4.70  0.98
 assign (resid  87 and name HD1* ) (resid  90 and name HB1  )  6.18  4.38  0.93
 assign (resid  51 and name HB2  ) (resid  92 and name HD2* )  6.50  4.70  0.98
 assign (resid  60 and name HD1* ) (resid  90 and name HB1  )  5.33  3.53  0.80
 assign (resid  87 and name HB2  ) (resid  90 and name HB2  )  5.16  3.36  0.77
 assign (resid  87 and name HD1* ) (resid  90 and name HB2  )  5.00  3.20  0.75
 assign (resid  60 and name HD1* ) (resid  90 and name HB2  )  5.06  3.26  0.76
 assign (resid   3 and name HB2  ) (resid   8 and name HG2* )  5.00  3.20  0.75
 assign (resid   4 and name HA   ) (resid   9 and name HE   )  5.37  3.57  0.81
 assign (resid   4 and name HA   ) (resid   9 and name HD2  )  4.59  2.79  0.69
 assign (resid   5 and name HB1  ) (resid   6 and name HD2  )  3.90  2.10  0.59
 assign (resid   7 and name HB2  ) (resid  39 and name HE*  )  5.38  3.58  0.81
 assign (resid   8 and name HA   ) (resid  12 and name HD2* )  5.92  4.12  0.89
 assign (resid   5 and name HB2  ) (resid   8 and name HG2* )  4.37  2.57  0.66
 assign (resid   8 and name HG2* ) (resid  12 and name HB2  )  4.10  2.30  0.62
 assign (resid   9 and name HB1  ) (resid  32 and name HD1* )  5.25  3.45  0.79
 assign (resid   9 and name HB2  ) (resid  32 and name HD1* )  4.67  2.87  0.70
 assign (resid   6 and name HA   ) (resid   9 and name HB1  )  5.15  3.35  0.77
 assign (resid   5 and name HN   ) (resid   9 and name HB1  )  6.50  4.70  0.98
 assign (resid   9 and name HB1  ) (resid  13 and name HN   )  6.50  4.70  0.98
 assign (resid   9 and name HA   ) (resid  13 and name HN   )  4.76  2.96  0.71
 assign (resid  10 and name HB1  ) (resid  11 and name HB*  )  5.19  3.39  0.78
 assign (resid  11 and name HB*  ) (resid  13 and name HN   )  4.73  2.93  0.71
 assign (resid   7 and name HD*  ) (resid  11 and name HB*  )  3.91  2.11  0.59
 assign (resid  10 and name HD*  ) (resid  11 and name HB*  )  4.04  2.24  0.61
 assign (resid  10 and name HD*  ) (resid  11 and name HA   )  4.10  2.30  0.62
 assign (resid  11 and name HA   ) (resid  15 and name HN   )  4.82  3.02  0.72
 assign (resid  11 and name HA   ) (resid  13 and name HN   )  4.94  3.14  0.74
 assign (resid  11 and name HB*  ) (resid  15 and name HN   )  4.92  3.12  0.74
 assign (resid  11 and name HB*  ) (resid  12 and name HB2  )  4.36  2.56  0.65
 assign (resid  11 and name HB*  ) (resid  14 and name HB2  )  4.69  2.89  0.70
 assign (resid  11 and name HB*  ) (resid  15 and name HG1  )  5.00  3.20  0.75
 assign (resid  12 and name HA   ) (resid  16 and name HN   )  4.84  3.04  0.73
 assign (resid  12 and name HG   ) (resid  16 and name HD2  )  4.13  2.33  0.62
 assign (resid  12 and name HD1* ) (resid  16 and name HD2  )  4.14  2.34  0.62
 assign (resid   9 and name HA   ) (resid  12 and name HD2* )  3.72  1.92  0.56
 assign (resid   8 and name HG2* ) (resid  12 and name HD2* )  3.91  2.11  0.59
 assign (resid  13 and name HA   ) (resid  28 and name HD1* )  3.25  1.45  0.49
 assign (resid  13 and name HA   ) (resid  28 and name HD2* )  4.97  3.17  0.75
 assign (resid  13 and name HA   ) (resid  28 and name HB2  )  4.94  3.14  0.74
 assign (resid  13 and name HA   ) (resid  25 and name HB*  )  3.64  1.84  0.55
 assign (resid  12 and name HG   ) (resid  13 and name HA   )  4.48  2.68  0.67
 assign (resid  12 and name HB1  ) (resid  13 and name HA   )  4.59  2.79  0.69
 assign (resid  13 and name HA   ) (resid  17 and name HG   )  5.01  3.21  0.75
 assign (resid  13 and name HB*  ) (resid  28 and name HD2* )  4.14  2.34  0.62
 assign (resid  13 and name HB*  ) (resid  17 and name HD1* )  3.86  2.06  0.58
 assign (resid  13 and name HB*  ) (resid  28 and name HB2  )  3.57  1.77  0.54
 assign (resid  13 and name HB*  ) (resid  28 and name HB1  )  3.46  1.66  0.52
 assign (resid  13 and name HB*  ) (resid  14 and name HA   )  4.47  2.67  0.67
 assign (resid   9 and name HB2  ) (resid  13 and name HB*  )  5.32  3.52  0.80
 assign (resid  13 and name HB*  ) (resid  14 and name HB2  )  5.74  3.94  0.86
 assign (resid  13 and name HB*  ) (resid  15 and name HB2  )  6.28  4.48  0.94
 assign (resid  13 and name HA   ) (resid  16 and name HD2  )  3.80  2.00  0.57
 assign (resid  13 and name HB*  ) (resid  29 and name HE*  )  3.62  1.82  0.54
 assign (resid  13 and name HB*  ) (resid  16 and name HD2  )  5.12  3.32  0.77
 assign (resid  13 and name HB*  ) (resid  17 and name HN   )  4.56  2.76  0.68
 assign (resid  13 and name HB*  ) (resid  16 and name HN   )  4.99  3.19  0.75
 assign (resid  14 and name HG2  ) (resid  29 and name HE*  )  4.77  2.97  0.72
 assign (resid  10 and name HD*  ) (resid  14 and name HG1  )  4.84  3.04  0.73
 assign (resid  14 and name HG1  ) (resid  29 and name HE*  )  5.52  3.72  0.83
 assign (resid  10 and name HE*  ) (resid  14 and name HG1  )  4.40  2.60  0.66
 assign (resid  16 and name HA   ) (resid  25 and name HB*  )  4.58  2.78  0.69
 assign (resid  15 and name HA   ) (resid  16 and name HA   )  5.13  3.33  0.77
 assign (resid  17 and name HB1  ) (resid  18 and name HA   )  4.92  3.12  0.74
 assign (resid  17 and name HB2  ) (resid  18 and name HA   )  5.23  3.43  0.78
 assign (resid  17 and name HD2* ) (resid  29 and name HE*  )  3.81  2.01  0.57
 assign (resid  17 and name HD2* ) (resid  29 and name HZ   )  5.27  3.47  0.79
 assign (resid  17 and name HD2* ) (resid  49 and name HB2  )  3.99  2.19  0.60
 assign (resid  17 and name HB1  ) (resid  22 and name HA   )  4.89  3.09  0.73
 assign (resid  21 and name HA   ) (resid  22 and name HB*  )  4.49  2.69  0.67
 assign (resid  24 and name HG2  ) (resid  27 and name HB*  )  5.70  3.90  0.86
 assign (resid  22 and name HA   ) (resid  25 and name HA   )  5.14  3.34  0.77
 assign (resid  25 and name HA   ) (resid  28 and name HA   )  6.46  4.66  0.97
 assign (resid  26 and name HD1* ) (resid  29 and name HB1  )  4.92  3.12  0.74
 assign (resid  26 and name HD1* ) (resid  29 and name HB2  )  5.28  3.48  0.79
 assign (resid  26 and name HG   ) (resid  30 and name HG1  )  5.31  3.51  0.80
 assign (resid  26 and name HD1* ) (resid  53 and name HB2  )  6.24  4.44  0.94
 assign (resid  25 and name HB*  ) (resid  26 and name HD1* )  4.77  2.97  0.72
 assign (resid  26 and name HD1* ) (resid  46 and name HG   )  4.83  3.03  0.72
 assign (resid  26 and name HD1* ) (resid  49 and name HA   )  5.68  3.88  0.85
 assign (resid  23 and name HA   ) (resid  26 and name HD1* )  5.70  3.90  0.86
 assign (resid  26 and name HD2* ) (resid  50 and name HD*  )  5.08  3.28  0.76
 assign (resid  13 and name HB*  ) (resid  28 and name HG   )  5.41  3.61  0.81
 assign (resid  13 and name HB*  ) (resid  28 and name HD1* )  3.25  1.45  0.49
 assign (resid  28 and name HD1* ) (resid  32 and name HD1* )  5.57  3.77  0.84
 assign (resid  28 and name HD1* ) (resid  49 and name HD2* )  5.97  4.17  0.90
 assign (resid  12 and name HG   ) (resid  28 and name HD1* )  3.38  1.58  0.51
 assign (resid  12 and name HA   ) (resid  28 and name HD1* )  4.87  3.07  0.73
 assign (resid  16 and name HD2  ) (resid  28 and name HD1* )  3.37  1.57  0.51
 assign (resid  28 and name HD1* ) (resid  29 and name HD*  )  6.50  4.70  0.98
 assign (resid  16 and name HD2  ) (resid  28 and name HD2* )  4.09  2.29  0.61
 assign (resid  25 and name HA   ) (resid  28 and name HD2* )  4.46  2.66  0.67
 assign (resid   9 and name HD1  ) (resid  28 and name HD2* )  5.53  3.73  0.83
 assign (resid  29 and name HA   ) (resid  46 and name HD2* )  4.85  3.05  0.73
 assign (resid  29 and name HA   ) (resid  33 and name HG2* )  4.99  3.19  0.75
 assign (resid  32 and name HA   ) (resid  33 and name HG2* )  5.70  3.90  0.86
 assign (resid  33 and name HG2* ) (resid  34 and name HA   )  6.24  4.44  0.94
 assign (resid  32 and name HB1  ) (resid  42 and name HG1  )  6.13  4.33  0.92
 assign (resid  10 and name HB2  ) (resid  32 and name HD1* )  4.04  2.24  0.61
 assign (resid  13 and name HB*  ) (resid  32 and name HD1* )  5.05  3.25  0.76
 assign (resid  32 and name HD2* ) (resid  39 and name HD*  )  3.94  2.14  0.59
 assign (resid  29 and name HD*  ) (resid  32 and name HD2* )  5.01  3.21  0.75
 assign (resid   9 and name HE   ) (resid  32 and name HD2* )  4.26  2.46  0.64
 assign (resid  10 and name HN   ) (resid  32 and name HD1* )  3.84  2.04  0.58
 assign (resid  33 and name HB   ) (resid  34 and name HA   )  5.98  4.18  0.90
 assign (resid  32 and name HA   ) (resid  33 and name HA   )  6.50  4.70  0.98
 assign (resid  33 and name HA   ) (resid  34 and name HA   )  6.50  4.70  0.98
 assign (resid  33 and name HG2* ) (resid  37 and name HA   )  4.82  3.02  0.72
 assign (resid  32 and name HN   ) (resid  33 and name HG2* )  4.80  3.00  0.72
 assign (resid  33 and name HG1* ) (resid  62 and name HG2* )  4.31  2.51  0.65
 assign (resid  33 and name HG1* ) (resid  34 and name HB1  )  4.07  2.27  0.61
 assign (resid  31 and name HB1  ) (resid  35 and name HG2* )  5.00  3.20  0.75
 assign (resid  37 and name HA   ) (resid  69 and name HG2* )  5.00  3.20  0.75
 assign (resid  39 and name HA   ) (resid  40 and name HB   )  4.47  2.67  0.67
 assign (resid  39 and name HA   ) (resid  40 and name HG2* )  4.58  2.78  0.69
 assign (resid  39 and name HA   ) (resid  40 and name HG1* )  5.43  3.63  0.81
 assign (resid  40 and name HB   ) (resid  69 and name HG2* )  4.27  2.47  0.64
 assign (resid  40 and name HB   ) (resid  70 and name HB*  )  4.49  2.69  0.67
 assign (resid  40 and name HG1* ) (resid  69 and name HG2* )  3.74  1.94  0.56
 assign (resid  40 and name HG1* ) (resid  82 and name HG   )  4.24  2.44  0.64
 assign (resid  40 and name HG1* ) (resid  78 and name HB1  )  3.54  1.74  0.53
 assign (resid  40 and name HG1* ) (resid  78 and name HB2  )  3.96  2.16  0.59
 assign (resid  40 and name HA   ) (resid  43 and name HE*  )  3.83  2.03  0.57
 assign (resid  40 and name HG2* ) (resid  78 and name HB2  )  4.81  3.01  0.72
 assign (resid  40 and name HG2* ) (resid  73 and name HG2  )  4.44  2.64  0.67
 assign (resid  40 and name HG2* ) (resid  73 and name HB1  )  4.34  2.54  0.65
 assign (resid  29 and name HN   ) (resid  42 and name HG2* )  4.92  3.12  0.74
 assign (resid  10 and name HE*  ) (resid  42 and name HG2* )  4.85  3.05  0.73
 assign (resid  42 and name HG2* ) (resid  46 and name HD1* )  3.84  2.04  0.58
 assign (resid  42 and name HG2* ) (resid  62 and name HG2* )  4.22  2.42  0.63
 assign (resid  32 and name HB1  ) (resid  42 and name HG2* )  3.46  1.66  0.52
 assign (resid  44 and name HA   ) (resid  63 and name HA   )  4.76  2.96  0.71
 assign (resid  46 and name HD1* ) (resid  49 and name HB1  )  3.98  2.18  0.60
 assign (resid  42 and name HG2* ) (resid  46 and name HD2* )  3.65  1.85  0.55
 assign (resid  26 and name HA   ) (resid  49 and name HD2* )  3.31  1.51  0.50
 assign (resid  86 and name HN   ) (resid  87 and name HA   )  5.34  3.54  0.80
 assign (resid  22 and name HB*  ) (resid  49 and name HA   )  4.85  3.05  0.73
 assign (resid  26 and name HN   ) (resid  49 and name HD1* )  4.91  3.11  0.74
 assign (resid  49 and name HD1* ) (resid  52 and name HN   )  4.55  2.75  0.68
 assign (resid  29 and name HD*  ) (resid  49 and name HD2* )  3.38  1.58  0.51
 assign (resid  29 and name HE*  ) (resid  49 and name HD1* )  4.63  2.83  0.69
 assign (resid  22 and name HA   ) (resid  49 and name HD1* )  4.01  2.21  0.60
 assign (resid  29 and name HB2  ) (resid  49 and name HD2* )  5.29  3.49  0.79
 assign (resid  26 and name HD1* ) (resid  49 and name HD1* )  4.41  2.61  0.66
 assign (resid  46 and name HD1* ) (resid  49 and name HD1* )  5.21  3.41  0.78
 assign (resid  22 and name HB*  ) (resid  49 and name HD1* )  3.30  1.50  0.50
 assign (resid  25 and name HB*  ) (resid  49 and name HD1* )  3.71  1.91  0.56
 assign (resid  26 and name HB2  ) (resid  49 and name HD2* )  3.35  1.55  0.50
 assign (resid  22 and name HB*  ) (resid  49 and name HD2* )  3.35  1.55  0.50
 assign (resid  25 and name HB*  ) (resid  49 and name HD2* )  3.34  1.54  0.50
 assign (resid  50 and name HB2  ) (resid  58 and name HB2  )  4.92  3.12  0.74
 assign (resid  50 and name HB1  ) (resid  58 and name HB2  )  5.33  3.53  0.80
 assign (resid  52 and name HB1  ) (resid  53 and name HA   )  5.13  3.33  0.77
 assign (resid  53 and name HA   ) (resid  55 and name HN   )  4.92  3.12  0.74
 assign (resid  22 and name HB*  ) (resid  53 and name HD2* )  3.32  1.52  0.50
 assign (resid  52 and name HG1  ) (resid  53 and name HD2* )  5.50  3.70  0.83
 assign (resid  53 and name HB1  ) (resid  54 and name HA   )  6.36  4.56  0.95
 assign (resid  52 and name HA   ) (resid  54 and name HA   )  5.34  3.54  0.80
 assign (resid  26 and name HD2* ) (resid  55 and name HG2  )  5.06  3.26  0.76
 assign (resid  53 and name HD2* ) (resid  55 and name HG2  )  5.44  3.64  0.82
 assign (resid  51 and name HG2  ) (resid  56 and name HA   )  4.43  2.63  0.66
 assign (resid  56 and name HG2* ) (resid  92 and name HD1* )  3.40  1.60  0.51
 assign (resid  56 and name HG2* ) (resid  60 and name HD1* )  3.30  1.50  0.50
 assign (resid  56 and name HG2* ) (resid  89 and name HB*  )  3.25  1.45  0.49
 assign (resid  56 and name HG2* ) (resid  92 and name HB2  )  3.37  1.57  0.51
 assign (resid  56 and name HG2* ) (resid  92 and name HB1  )  4.46  2.66  0.67
 assign (resid  56 and name HG2* ) (resid  92 and name HG   )  4.78  2.98  0.72
 assign (resid  51 and name HG2  ) (resid  56 and name HG2* )  3.81  2.01  0.57
 assign (resid  56 and name HG2* ) (resid  60 and name HG12 )  4.04  2.24  0.61
 assign (resid  51 and name HB1  ) (resid  56 and name HG2* )  5.93  4.13  0.89
 assign (resid  51 and name HG1  ) (resid  56 and name HG2* )  5.57  3.77  0.84
 assign (resid  56 and name HG2* ) (resid  89 and name HA   )  4.05  2.25  0.61
 assign (resid  56 and name HG2* ) (resid  57 and name HA   )  4.18  2.38  0.63
 assign (resid  56 and name HB   ) (resid  59 and name HB*  )  5.01  3.21  0.75
 assign (resid  52 and name HN   ) (resid  59 and name HB*  )  5.74  3.94  0.86
 assign (resid  56 and name HN   ) (resid  59 and name HB*  )  5.98  4.18  0.90
 assign (resid  49 and name HN   ) (resid  59 and name HB*  )  5.53  3.73  0.83
 assign (resid  59 and name HB*  ) (resid  61 and name HN   )  5.81  4.01  0.87
 assign (resid  60 and name HG2* ) (resid  61 and name HB2  )  4.89  3.09  0.73
 assign (resid  60 and name HA   ) (resid  86 and name HD2  )  4.80  3.00  0.72
 assign (resid  59 and name HB*  ) (resid  60 and name HA   )  3.91  2.11  0.59
 assign (resid  60 and name HA   ) (resid  86 and name HG2  )  5.36  3.56  0.80
 assign (resid  67 and name HD1* ) (resid  83 and name HA   )  3.25  1.45  0.49
 assign (resid  63 and name HB2  ) (resid  67 and name HD1* )  4.85  3.05  0.73
 assign (resid  60 and name HD1* ) (resid  86 and name HG2  )  5.27  3.47  0.79
 assign (resid  60 and name HD1* ) (resid  88 and name HG1  )  5.73  3.93  0.86
 assign (resid  67 and name HD1* ) (resid  82 and name HD2* )  4.54  2.74  0.68
 assign (resid  67 and name HD1* ) (resid  86 and name HB2  )  4.71  2.91  0.71
 assign (resid  67 and name HD1* ) (resid  82 and name HN   )  5.13  3.33  0.77
 assign (resid  47 and name HA2  ) (resid  62 and name HG2* )  4.15  2.35  0.62
 assign (resid  64 and name HA   ) (resid  68 and name HG1  )  5.50  3.70  0.83
 assign (resid  64 and name HB*  ) (resid  68 and name HG1  )  6.22  4.42  0.93
 assign (resid  64 and name HA   ) (resid  68 and name HN   )  5.24  3.44  0.79
 assign (resid  33 and name HG2* ) (resid  65 and name HB2  )  5.85  4.05  0.88
 assign (resid  65 and name HA   ) (resid  67 and name HN   )  5.30  3.50  0.80
 assign (resid  64 and name HB*  ) (resid  65 and name HG1  )  4.75  2.95  0.71
 assign (resid  65 and name HN   ) (resid  66 and name HA2  )  5.38  3.58  0.81
 assign (resid  67 and name HG2* ) (resid  68 and name HB1  )  4.74  2.94  0.71
 assign (resid  67 and name HG2* ) (resid  71 and name HG2  )  3.68  1.88  0.55
 assign (resid  67 and name HG2* ) (resid  70 and name HB*  )  3.67  1.87  0.55
 assign (resid  60 and name HG2* ) (resid  67 and name HD1* )  5.20  3.40  0.78
 assign (resid  67 and name HD1* ) (resid  80 and name HA   )  5.81  4.01  0.87
 assign (resid  67 and name HD1* ) (resid  79 and name HA   )  4.75  2.95  0.71
 assign (resid  67 and name HB   ) (resid  68 and name HG1  )  5.50  3.70  0.83
 assign (resid  71 and name HG2  ) (resid  72 and name HG2  )  5.65  3.85  0.85
 assign (resid  67 and name HG2* ) (resid  68 and name HG1  )  4.51  2.71  0.68
 assign (resid  64 and name HB*  ) (resid  68 and name HG2  )  5.23  3.43  0.78
 assign (resid  71 and name HG2  ) (resid  72 and name HG1  )  5.65  3.85  0.85
 assign (resid  67 and name HB   ) (resid  68 and name HG2  )  4.04  2.24  0.61
 assign (resid  68 and name HG2  ) (resid  69 and name HG2* )  6.50  4.70  0.98
 assign (resid  67 and name HG2* ) (resid  68 and name HG2  )  4.75  2.95  0.71
 assign (resid  66 and name HN   ) (resid  69 and name HG2* )  4.44  2.64  0.67
 assign (resid  69 and name HG2* ) (resid  71 and name HN   )  4.90  3.10  0.74
 assign (resid  43 and name HD*  ) (resid  69 and name HG2* )  4.24  2.44  0.64
 assign (resid  69 and name HG2* ) (resid  70 and name HB*  )  3.64  1.84  0.55
 assign (resid  68 and name HG1  ) (resid  69 and name HG2* )  6.50  4.70  0.98
 assign (resid  69 and name HG2* ) (resid  73 and name HB2  )  4.26  2.46  0.64
 assign (resid  66 and name HA1  ) (resid  69 and name HG2* )  4.30  2.50  0.65
 assign (resid  69 and name HG2* ) (resid  82 and name HD1* )  3.79  1.99  0.57
 assign (resid  69 and name HG2* ) (resid  70 and name HA   )  3.69  1.89  0.55
 assign (resid  68 and name HA   ) (resid  69 and name HG2* )  5.12  3.32  0.77
 assign (resid  65 and name HA   ) (resid  69 and name HG2* )  4.72  2.92  0.71
 assign (resid  70 and name HB*  ) (resid  71 and name HG2  )  4.11  2.31  0.62
 assign (resid  67 and name HG11 ) (resid  70 and name HB*  )  4.54  2.74  0.68
 assign (resid  70 and name HB*  ) (resid  82 and name HB2  )  4.94  3.14  0.74
 assign (resid  70 and name HB*  ) (resid  82 and name HG   )  5.19  3.39  0.78
 assign (resid  68 and name HB2  ) (resid  70 and name HB*  )  6.32  4.52  0.95
 assign (resid  70 and name HB*  ) (resid  72 and name HB2  )  6.50  4.70  0.98
 assign (resid  68 and name HG1  ) (resid  70 and name HB*  )  6.50  4.70  0.98
 assign (resid  70 and name HB*  ) (resid  83 and name HG2  )  6.50  4.70  0.98
 assign (resid  71 and name HB2  ) (resid  79 and name HD2* )  3.81  2.01  0.57
 assign (resid  67 and name HG2* ) (resid  71 and name HD2  )  4.39  2.59  0.66
 assign (resid  67 and name HG2* ) (resid  71 and name HD1  )  4.39  2.59  0.66
 assign (resid  71 and name HB2  ) (resid  72 and name HA   )  4.67  2.87  0.70
 assign (resid  71 and name HG2  ) (resid  72 and name HA   )  5.60  3.80  0.84
 assign (resid  69 and name HG2* ) (resid  72 and name HB2  )  5.25  3.45  0.79
 assign (resid  40 and name HG2* ) (resid  73 and name HA   )  5.88  4.08  0.88
 assign (resid  69 and name HG1* ) (resid  73 and name HA   )  6.30  4.50  0.95
 assign (resid  69 and name HG1* ) (resid  73 and name HG1  )  5.11  3.31  0.77
 assign (resid  74 and name HA1  ) (resid  78 and name HB1  )  5.06  3.26  0.76
 assign (resid  74 and name HA1  ) (resid  78 and name HB2  )  5.14  3.34  0.77
 assign (resid  75 and name HB   ) (resid  77 and name HN   )  4.14  2.34  0.62
 assign (resid  75 and name HG2* ) (resid  77 and name HN   )  4.53  2.73  0.68
 assign (resid  75 and name HB   ) (resid  77 and name HB1  )  4.88  3.08  0.73
 assign (resid  75 and name HB   ) (resid  76 and name HB2  )  6.50  4.70  0.98
 assign (resid  75 and name HB   ) (resid  76 and name HB1  )  5.24  3.44  0.79
 assign (resid  75 and name HG2* ) (resid  77 and name HB2  )  5.08  3.28  0.76
 assign (resid  75 and name HG2* ) (resid  78 and name HB2  )  4.91  3.11  0.74
 assign (resid  74 and name HA2  ) (resid  75 and name HG2* )  3.94  2.14  0.59
 assign (resid  74 and name HA1  ) (resid  75 and name HG2* )  4.17  2.37  0.63
 assign (resid  75 and name HG2* ) (resid  78 and name HN   )  4.82  3.02  0.72
 assign (resid  75 and name HG2* ) (resid  76 and name HB2  )  6.39  4.59  0.96
 assign (resid  75 and name HG2* ) (resid  76 and name HB1  )  6.50  4.70  0.98
 assign (resid  76 and name HB2  ) (resid  79 and name HB1  )  5.19  3.39  0.78
 assign (resid  76 and name HB1  ) (resid  79 and name HB1  )  5.69  3.89  0.85
 assign (resid  76 and name HB2  ) (resid  79 and name HD2* )  5.73  3.93  0.86
 assign (resid  76 and name HB1  ) (resid  79 and name HD2* )  6.50  4.70  0.98
 assign (resid  67 and name HG12 ) (resid  79 and name HA   )  4.19  2.39  0.63
 assign (resid  71 and name HG2  ) (resid  79 and name HD2* )  4.04  2.24  0.61
 assign (resid  70 and name HB*  ) (resid  79 and name HD2* )  4.22  2.42  0.63
 assign (resid  70 and name HB*  ) (resid  79 and name HD1* )  3.48  1.68  0.52
 assign (resid  79 and name HD1* ) (resid  83 and name HB2  )  5.00  3.20  0.75
 assign (resid  56 and name HB   ) (resid  92 and name HD1* )  4.26  2.46  0.64
 assign (resid  80 and name HA   ) (resid  83 and name HG1  )  4.85  3.05  0.73
 assign (resid  79 and name HD1* ) (resid  80 and name HA   )  4.75  2.95  0.71
 assign (resid  14 and name HA   ) (resid  29 and name HZ   )  5.00  3.20  0.75
 assign (resid  63 and name HD*  ) (resid  82 and name HA   )  5.28  3.48  0.79
 assign (resid  78 and name HA   ) (resid  81 and name HG2  )  4.74  2.94  0.71
 assign (resid  78 and name HA   ) (resid  81 and name HG1  )  4.74  2.94  0.71
 assign (resid  64 and name HB*  ) (resid  82 and name HD1* )  6.50  4.70  0.98
 assign (resid  82 and name HD1* ) (resid  86 and name HD2  )  6.50  4.70  0.98
 assign (resid  78 and name HB1  ) (resid  82 and name HD1* )  4.31  2.51  0.65
 assign (resid  43 and name HB1  ) (resid  82 and name HD1* )  4.26  2.46  0.64
 assign (resid  40 and name HG2* ) (resid  82 and name HD1* )  4.00  2.20  0.60
 assign (resid  40 and name HA   ) (resid  82 and name HD1* )  4.27  2.47  0.64
 assign (resid  79 and name HA   ) (resid  82 and name HD1* )  4.47  2.67  0.67
 assign (resid  63 and name HA   ) (resid  82 and name HD1* )  5.03  3.23  0.75
 assign (resid  44 and name HD*  ) (resid  82 and name HG   )  5.57  3.77  0.84
 assign (resid  66 and name HN   ) (resid  82 and name HD2* )  4.45  2.65  0.67
 assign (resid  67 and name HN   ) (resid  82 and name HD2* )  4.39  2.59  0.66
 assign (resid  44 and name HN   ) (resid  82 and name HD2* )  3.75  1.95  0.56
 assign (resid  66 and name HA1  ) (resid  82 and name HD2* )  3.99  2.19  0.60
 assign (resid  43 and name HB2  ) (resid  82 and name HD2* )  3.69  1.89  0.55
 assign (resid  15 and name HA   ) (resid  18 and name HE2  )  5.68  3.88  0.85
 assign (resid  15 and name HA   ) (resid  18 and name HE1  )  5.68  3.88  0.85
 assign (resid  82 and name HN   ) (resid  84 and name HB2  )  5.62  3.82  0.84
 assign (resid  84 and name HA   ) (resid  86 and name HN   )  4.51  2.71  0.68
 assign (resid  83 and name HB1  ) (resid  84 and name HA   )  4.44  2.64  0.67
 assign (resid  84 and name HB2  ) (resid  87 and name HB1  )  6.06  4.26  0.91
 assign (resid  83 and name HB2  ) (resid  84 and name HB2  )  4.88  3.08  0.73
 assign (resid  83 and name HB1  ) (resid  84 and name HB2  )  4.95  3.15  0.74
 assign (resid  70 and name HA   ) (resid  74 and name HA2  )  4.83  3.03  0.72
 assign (resid  60 and name HG2* ) (resid  86 and name HG1  )  4.27  2.47  0.64
 assign (resid  86 and name HG1  ) (resid  87 and name HD2* )  4.40  2.60  0.66
 assign (resid  67 and name HD1* ) (resid  86 and name HG1  )  4.14  2.34  0.62
 assign (resid  60 and name HG2* ) (resid  86 and name HE1  )  3.43  1.63  0.51
 assign (resid  67 and name HD1* ) (resid  86 and name HE1  )  3.92  2.12  0.59
 assign (resid  60 and name HD1* ) (resid  87 and name HA   )  4.44  2.64  0.67
 assign (resid  12 and name HB1  ) (resid  28 and name HD1* )  3.94  2.14  0.59
 assign (resid  88 and name HA   ) (resid  91 and name HN   )  5.00  3.20  0.75
 assign (resid  87 and name HD1* ) (resid  88 and name HG2  )  5.08  3.28  0.76
 assign (resid  87 and name HD1* ) (resid  88 and name HG1  )  4.54  2.74  0.68
 assign (resid  85 and name HB*  ) (resid  88 and name HG1  )  4.61  2.81  0.69
 assign (resid  85 and name HB*  ) (resid  88 and name HB1  )  5.45  3.65  0.82
 assign (resid  60 and name HG2* ) (resid  86 and name HE2  )  3.93  2.13  0.59
 assign (resid  67 and name HD1* ) (resid  86 and name HE2  )  3.82  2.02  0.57
 assign (resid  86 and name HE2  ) (resid  87 and name HD2* )  6.14  4.34  0.92
 assign (resid  64 and name HA   ) (resid  86 and name HE1  )  4.83  3.03  0.72
 assign (resid  64 and name HN   ) (resid  86 and name HE2  )  5.53  3.73  0.83
 assign (resid  64 and name HN   ) (resid  86 and name HE1  )  5.28  3.48  0.79
 assign (resid  64 and name HA   ) (resid  86 and name HD2  )  4.83  3.03  0.72
 assign (resid  64 and name HN   ) (resid  86 and name HD2  )  4.89  3.09  0.73
 assign (resid  10 and name HA   ) (resid  14 and name HG1  )  5.12  3.32  0.77
 assign (resid  89 and name HB*  ) (resid  90 and name HA   )  4.65  2.85  0.70
 assign (resid  26 and name HD2* ) (resid  46 and name HD1* )  3.56  1.76  0.53
 assign (resid  26 and name HD1* ) (resid  49 and name HD2* )  3.09  1.29  0.46
 assign (resid  26 and name HD2* ) (resid  49 and name HD1* )  5.00  3.20  0.75
 assign (resid  26 and name HD2* ) (resid  49 and name HD2* )  3.50  1.70  0.53
 assign (resid  26 and name HD1* ) (resid  49 and name HG   )  4.36  2.56  0.65
 assign (resid  22 and name HB*  ) (resid  49 and name HG   )  5.00  3.20  0.75
 assign (resid  44 and name HA   ) (resid  63 and name HE*  )  4.49  2.69  0.67
 assign (resid  33 and name HB   ) (resid  46 and name HD2* )  6.04  4.24  0.91
 assign (resid  43 and name HB2  ) (resid  63 and name HA   )  4.29  2.49  0.64
 assign (resid  63 and name HB1  ) (resid  66 and name HA1  )  6.00  4.20  0.90
 assign (resid  43 and name HB1  ) (resid  63 and name HB2  )  6.07  4.27  0.91
 assign (resid  63 and name HA   ) (resid  86 and name HA   )  6.50  4.70  0.98
 assign (resid  60 and name HG2* ) (resid  86 and name HG2  )  4.63  2.83  0.69
 assign (resid  67 and name HD1* ) (resid  86 and name HG2  )  4.83  3.03  0.72
 assign (resid  85 and name HB*  ) (resid  86 and name HG2  )  5.36  3.56  0.80
 assign (resid  17 and name HD1* ) (resid  25 and name HB*  )  3.18  1.38  0.48
 assign (resid  17 and name HD1* ) (resid  22 and name HB*  )  5.00  3.20  0.75
 assign (resid  14 and name HA   ) (resid  17 and name HD1* )  3.35  1.55  0.50
 assign (resid  44 and name HD*  ) (resid  82 and name HD2* )  3.60  1.80  0.54
 assign (resid  44 and name HE*  ) (resid  82 and name HD2* )  4.92  3.12  0.74
 assign (resid  63 and name HD*  ) (resid  82 and name HD2* )  3.85  2.05  0.58
 assign (resid  43 and name HE*  ) (resid  82 and name HD2* )  5.90  4.10  0.89
 assign (resid  82 and name HD2* ) (resid  86 and name HN   )  5.32  3.52  0.80
 assign (resid   3 and name HA   ) (resid   5 and name HB2  )  5.29  3.49  0.79
 assign (resid   3 and name HA   ) (resid   8 and name HB   )  4.07  2.27  0.61
 assign (resid   3 and name HB2  ) (resid   4 and name HA   )  5.05  3.25  0.76
 assign (resid   3 and name HB2  ) (resid   8 and name HB   )  5.32  3.52  0.80
 assign (resid   9 and name HA   ) (resid  12 and name HG   )  4.91  3.11  0.74
 assign (resid   8 and name HG2* ) (resid   9 and name HA   )  4.18  2.38  0.63
 assign (resid   9 and name HA   ) (resid  28 and name HD1* )  3.77  1.97  0.57
 assign (resid   6 and name HA   ) (resid   9 and name HD2  )  4.33  2.53  0.65
 assign (resid   8 and name HB   ) (resid   9 and name HD2  )  5.19  3.39  0.78
 assign (resid  12 and name HD1* ) (resid  15 and name HG1  )  3.76  1.96  0.56
 assign (resid  12 and name HD2* ) (resid  16 and name HD2  )  4.59  2.79  0.69
 assign (resid  14 and name HG2  ) (resid  17 and name HD1* )  4.91  3.11  0.74
 assign (resid  13 and name HB*  ) (resid  14 and name HG2  )  4.85  3.05  0.73
 assign (resid  11 and name HB*  ) (resid  15 and name HB2  )  5.79  3.99  0.87
 assign (resid  17 and name HA   ) (resid  25 and name HB*  )  3.89  2.09  0.58
 assign (resid  17 and name HG   ) (resid  29 and name HE*  )  5.29  3.49  0.79
 assign (resid  87 and name HG   ) (resid  88 and name HG2  )  4.54  2.74  0.68
 assign (resid  16 and name HN   ) (resid  21 and name HB1  )  5.69  3.89  0.85
 assign (resid  26 and name HB1  ) (resid  27 and name HB*  )  4.07  2.27  0.61
 assign (resid  22 and name HB*  ) (resid  53 and name HG   )  4.30  2.50  0.65
 assign (resid  17 and name HB1  ) (resid  22 and name HB*  )  4.38  2.58  0.66
 assign (resid  27 and name HB*  ) (resid  28 and name HG   )  4.08  2.28  0.61
 assign (resid  21 and name HB2  ) (resid  25 and name HB*  )  5.00  3.20  0.75
 assign (resid  25 and name HB*  ) (resid  49 and name HB2  )  4.36  2.56  0.65
 assign (resid  13 and name HA   ) (resid  28 and name HB1  )  5.61  3.81  0.84
 assign (resid  25 and name HB*  ) (resid  28 and name HB2  )  4.57  2.77  0.69
 assign (resid  33 and name HG1* ) (resid  34 and name HA   )  3.99  2.19  0.60
 assign (resid  36 and name HA   ) (resid  37 and name HG1  )  4.76  2.96  0.71
 assign (resid  39 and name HA   ) (resid  41 and name HN   )  4.80  3.00  0.72
 assign (resid  39 and name HA   ) (resid  40 and name HA   )  4.60  2.80  0.69
 assign (resid  40 and name HB   ) (resid  74 and name HA1  )  5.23  3.43  0.78
 assign (resid  40 and name HG2* ) (resid  74 and name HA2  )  4.54  2.74  0.68
 assign (resid  40 and name HG2* ) (resid  43 and name HE*  )  5.24  3.44  0.79
 assign (resid  40 and name HB   ) (resid  70 and name HN   )  5.89  4.09  0.88
 assign (resid  41 and name HA1  ) (resid  43 and name HN   )  5.31  3.51  0.80
 assign (resid  32 and name HB1  ) (resid  42 and name HB   )  5.78  3.98  0.87
 assign (resid  39 and name HB1  ) (resid  42 and name HB   )  4.69  2.89  0.70
 assign (resid  32 and name HA   ) (resid  42 and name HG2* )  5.23  3.43  0.78
 assign (resid  42 and name HB   ) (resid  43 and name HA   )  5.21  3.41  0.78
 assign (resid  43 and name HA   ) (resid  46 and name HD1* )  5.36  3.56  0.80
 assign (resid  44 and name HA   ) (resid  48 and name HD1  )  5.27  3.47  0.79
 assign (resid  17 and name HD1* ) (resid  45 and name HB1  )  6.44  4.64  0.97
 assign (resid  47 and name HA1  ) (resid  60 and name HD1* )  5.81  4.01  0.87
 assign (resid  46 and name HD1* ) (resid  47 and name HA1  )  5.68  3.88  0.85
 assign (resid  48 and name HB2  ) (resid  49 and name HB2  )  4.83  3.03  0.72
 assign (resid  22 and name HB*  ) (resid  49 and name HB2  )  5.33  3.53  0.80
 assign (resid  22 and name HB*  ) (resid  53 and name HB1  )  5.70  3.90  0.86
 assign (resid  49 and name HD2* ) (resid  52 and name HB2  )  5.55  3.75  0.83
 assign (resid  46 and name HA   ) (resid  49 and name HD1* )  5.74  3.94  0.86
 assign (resid  60 and name HA   ) (resid  86 and name HA   )  4.50  2.70  0.68
 assign (resid  63 and name HE*  ) (resid  89 and name HB*  )  4.69  2.89  0.70
 assign (resid  50 and name HB1  ) (resid  55 and name HB1  )  5.61  3.81  0.84
 assign (resid  50 and name HA   ) (resid  55 and name HB1  )  4.52  2.72  0.68
 assign (resid  50 and name HA   ) (resid  56 and name HA   )  6.24  4.44  0.94
 assign (resid  26 and name HD1* ) (resid  50 and name HA   )  4.80  3.00  0.72
 assign (resid  26 and name HD2* ) (resid  52 and name HB2  )  6.50  4.70  0.98
 assign (resid  51 and name HB1  ) (resid  92 and name HD2* )  5.77  3.97  0.87
 assign (resid  14 and name HA   ) (resid  17 and name HG   )  4.60  2.80  0.69
 assign (resid  84 and name HA   ) (resid  87 and name HG   )  4.90  3.10  0.74
 assign (resid  52 and name HA   ) (resid  53 and name HA   )  5.19  3.39  0.78
 assign (resid  49 and name HA   ) (resid  53 and name HD2* )  5.24  3.44  0.79
 assign (resid  52 and name HA   ) (resid  53 and name HD2* )  5.55  3.75  0.83
 assign (resid  22 and name HA   ) (resid  53 and name HD2* )  4.83  3.03  0.72
 assign (resid  52 and name HB2  ) (resid  53 and name HD2* )  4.15  2.35  0.62
 assign (resid  50 and name HD*  ) (resid  53 and name HD1* )  4.31  2.51  0.65
 assign (resid  26 and name HN   ) (resid  53 and name HD1* )  6.50  4.70  0.98
 assign (resid  53 and name HD1* ) (resid  55 and name HN   )  6.50  4.70  0.98
 assign (resid  54 and name HA   ) (resid  55 and name HG2  )  5.04  3.24  0.76
 assign (resid  54 and name HA   ) (resid  55 and name HB2  )  5.69  3.89  0.85
 assign (resid  50 and name HE*  ) (resid  58 and name HA   )  5.51  3.71  0.83
 assign (resid  51 and name HG2  ) (resid  59 and name HA   )  5.82  4.02  0.87
 assign (resid  58 and name HB1  ) (resid  59 and name HA   )  6.07  4.27  0.91
 assign (resid  50 and name HB1  ) (resid  58 and name HB1  )  5.68  3.88  0.85
 assign (resid  60 and name HG2* ) (resid  63 and name HB2  )  5.50  3.70  0.83
 assign (resid  66 and name HA2  ) (resid  67 and name HG11 )  5.97  4.17  0.90
 assign (resid  65 and name HB2  ) (resid  66 and name HA1  )  6.01  4.21  0.90
 assign (resid  66 and name HA1  ) (resid  68 and name HG1  )  6.50  4.70  0.98
 assign (resid  65 and name HB2  ) (resid  66 and name HA2  )  5.64  3.84  0.85
 assign (resid  66 and name HA2  ) (resid  68 and name HG1  )  6.17  4.37  0.93
 assign (resid  67 and name HB   ) (resid  82 and name HB1  )  4.90  3.10  0.74
 assign (resid  67 and name HD1* ) (resid  85 and name HN   )  5.92  4.12  0.89
 assign (resid  67 and name HD1* ) (resid  87 and name HN   )  6.30  4.50  0.95
 assign (resid  72 and name HN   ) (resid  73 and name HA   )  5.56  3.76  0.83
 assign (resid  78 and name HB1  ) (resid  79 and name HA   )  6.46  4.66  0.97
 assign (resid  79 and name HG   ) (resid  82 and name HB2  )  6.33  4.53  0.95
 assign (resid  79 and name HG   ) (resid  83 and name HB1  )  6.50  4.70  0.98
 assign (resid  76 and name HA   ) (resid  79 and name HG   )  5.30  3.50  0.80
 assign (resid  67 and name HN   ) (resid  79 and name HD1* )  5.19  3.39  0.78
 assign (resid  40 and name HB   ) (resid  82 and name HD1* )  4.70  2.90  0.70
 assign (resid  79 and name HB2  ) (resid  83 and name HG1  )  5.60  3.80  0.84
 assign (resid  82 and name HB1  ) (resid  83 and name HG1  )  5.95  4.15  0.89
 assign (resid  86 and name HA   ) (resid  87 and name HA   )  4.97  3.17  0.75
 assign (resid  88 and name HG1  ) (resid  89 and name HA   )  5.51  3.71  0.83
 assign (resid  48 and name HA   ) (resid  49 and name HA   )  5.17  3.37  0.78
 assign (resid  87 and name HD1* ) (resid  88 and name HA   )  4.40  2.60  0.66
 assign (resid  86 and name HN   ) (resid  88 and name HG1  )  5.16  3.36  0.77
 assign (resid  88 and name HN   ) (resid  90 and name HB2  )  5.64  3.84  0.85
 assign (resid  60 and name HD1* ) (resid  90 and name HA   )  3.70  1.90  0.56
 assign (resid  87 and name HA   ) (resid  90 and name HG2  )  4.98  3.18  0.75
 assign (resid  87 and name HB2  ) (resid  88 and name HA   )  5.10  3.30  0.77
 assign (resid  56 and name HB   ) (resid  92 and name HB1  )  5.04  3.24  0.76
 assign (resid  90 and name HA   ) (resid  92 and name HB2  )  4.74  2.94  0.71
 assign (resid  93 and name HA   ) (resid  94 and name HB2  )  6.22  4.42  0.93
 assign (resid  93 and name HA   ) (resid  94 and name HB1  )  6.22  4.42  0.93
 assign (resid   5 and name HA   ) (resid   6 and name HG1  )  5.00  3.20  0.75
 assign (resid   5 and name HA   ) (resid   6 and name HG2  )  4.65  2.85  0.70
 assign (resid  60 and name HA   ) (resid  86 and name HB2  )  6.16  4.36  0.92
 assign (resid  60 and name HG2* ) (resid  86 and name HB1  )  3.89  2.09  0.58
 assign (resid  60 and name HG2* ) (resid  86 and name HB2  )  4.70  2.90  0.70
 assign (resid  83 and name HA   ) (resid  86 and name HG2  )  4.17  2.37  0.63
 assign (resid  15 and name HA   ) (resid  18 and name HG1  )  4.64  2.84  0.70
 assign (resid  83 and name HA   ) (resid  86 and name HD1  )  3.37  1.57  0.51
 assign (resid  83 and name HG1  ) (resid  86 and name HD1  )  5.90  4.10  0.89
 assign (resid  50 and name HA   ) (resid  59 and name HB*  )  4.81  3.01  0.72
 assign (resid  14 and name HG1  ) (resid  29 and name HZ   )  4.87  3.07  0.73
 assign (resid  16 and name HB1  ) (resid  21 and name HB2  )  4.47  2.67  0.67
 assign (resid  12 and name HB1  ) (resid  16 and name HD2  )  4.62  2.82  0.69
 assign (resid  17 and name HD1* ) (resid  52 and name HB2  )  6.50  4.70  0.98
 assign (resid  26 and name HB1  ) (resid  49 and name HD2* )  3.85  2.05  0.58
 assign (resid  32 and name HD1* ) (resid  42 and name HG1  )  4.62  2.82  0.69
 assign (resid  29 and name HA   ) (resid  32 and name HD1* )  3.46  1.66  0.52
 assign (resid  10 and name HD*  ) (resid  32 and name HD1* )  3.27  1.47  0.49
 assign (resid   6 and name HA   ) (resid  32 and name HD1* )  4.72  2.92  0.71
 assign (resid   9 and name HD1  ) (resid  32 and name HD1* )  5.75  3.95  0.86
 assign (resid  32 and name HD1* ) (resid  36 and name HB2  )  6.00  4.20  0.90
 assign (resid  32 and name HD1* ) (resid  36 and name HB1  )  5.87  4.07  0.88
 assign (resid  36 and name HB2  ) (resid  39 and name HB1  )  5.61  3.81  0.84
 assign (resid  38 and name HA   ) (resid  69 and name HB   )  5.01  3.21  0.75
 assign (resid  38 and name HA   ) (resid  73 and name HG2  )  4.70  2.90  0.70
 assign (resid  38 and name HA   ) (resid  73 and name HG1  )  4.70  2.90  0.70
 assign (resid  39 and name HB2  ) (resid  42 and name HG1  )  6.50  4.70  0.98
 assign (resid  48 and name HD2  ) (resid  85 and name HB*  )  4.55  2.75  0.68
 assign (resid  48 and name HD1  ) (resid  85 and name HB*  )  4.43  2.63  0.66
 assign (resid  26 and name HD2* ) (resid  49 and name HG   )  4.00  2.20  0.60
 assign (resid  49 and name HG   ) (resid  53 and name HD2* )  4.00  2.20  0.60
 assign (resid   4 and name HN   ) (resid   5 and name HB2  )  4.83  3.03  0.72
 assign (resid  49 and name HG   ) (resid  53 and name HD1* )  3.93  2.13  0.59
 assign (resid  49 and name HD1* ) (resid  53 and name HG   )  4.77  2.97  0.72
 assign (resid  50 and name HB2  ) (resid  55 and name HB2  )  5.51  3.71  0.83
 assign (resid  50 and name HB1  ) (resid  55 and name HB2  )  4.84  3.04  0.73
 assign (resid  60 and name HG12 ) (resid  90 and name HG2  )  6.50  4.70  0.98
 assign (resid  67 and name HD1* ) (resid  83 and name HN   )  3.99  2.19  0.60
 assign (resid  67 and name HG2* ) (resid  83 and name HN   )  5.01  3.21  0.75
 assign (resid  67 and name HG2* ) (resid  71 and name HB1  )  4.20  2.40  0.63
 assign (resid  67 and name HG2* ) (resid  79 and name HB2  )  5.00  3.20  0.75
 assign (resid  65 and name HA   ) (resid  68 and name HG2  )  4.18  2.38  0.63
 assign (resid  65 and name HA   ) (resid  68 and name HG1  )  4.07  2.27  0.61
 assign (resid  70 and name HB*  ) (resid  79 and name HA   )  3.36  1.56  0.50
 assign (resid  70 and name HB*  ) (resid  78 and name HA   )  4.90  3.10  0.74
 assign (resid  70 and name HB*  ) (resid  76 and name HA   )  4.75  2.95  0.71
 assign (resid  69 and name HB   ) (resid  73 and name HG1  )  4.81  3.01  0.72
 assign (resid  69 and name HA   ) (resid  73 and name HG1  )  6.28  4.48  0.94
 assign (resid  67 and name HG12 ) (resid  79 and name HB2  )  6.50  4.70  0.98
 assign (resid  67 and name HA   ) (resid  79 and name HD2* )  5.13  3.33  0.77
 assign (resid  79 and name HD2* ) (resid  83 and name HE21 )  4.21  2.41  0.63
 assign (resid  76 and name HE21 ) (resid  79 and name HD2* )  4.59  2.79  0.69
 assign (resid  80 and name HA   ) (resid  83 and name HE22 )  5.35  3.55  0.80
 assign (resid  67 and name HG12 ) (resid  82 and name HB2  )  3.95  2.15  0.59
 assign (resid  67 and name HG12 ) (resid  82 and name HB1  )  4.03  2.23  0.60
 assign (resid  44 and name HA   ) (resid  82 and name HD1* )  5.86  4.06  0.88
 assign (resid  64 and name HA   ) (resid  82 and name HD1* )  6.50  4.70  0.98
 assign (resid  44 and name HA   ) (resid  82 and name HD2* )  3.24  1.44  0.49
 assign (resid  63 and name HE*  ) (resid  82 and name HD2* )  4.09  2.29  0.61
 assign (resid  84 and name HA   ) (resid  87 and name HD1* )  3.68  1.88  0.55
 assign (resid  88 and name HG2  ) (resid  89 and name HA   )  5.27  3.47  0.79
 assign (resid   6 and name HA   ) (resid   9 and name HG2  )  4.77  2.97  0.72
 assign (resid  56 and name HG2* ) (resid  90 and name HA   )  3.97  2.17  0.60
 assign (resid  89 and name HB*  ) (resid  90 and name HG1  )  5.25  3.45  0.79
 assign (resid  86 and name HG1  ) (resid  90 and name HG1  )  5.81  4.01  0.87
 assign (resid  87 and name HB1  ) (resid  90 and name HG1  )  6.23  4.43  0.93
 assign (resid  16 and name HA   ) (resid  16 and name HD2  )  6.38  4.58  0.96
 assign (resid  29 and name HD*  ) (resid  29 and name HZ   )  4.25  2.45  0.64
 assign (resid  39 and name HA   ) (resid  39 and name HD*  )  3.82  2.02  0.57
 assign (resid   7 and name HD*  ) (resid  10 and name HD*  )  4.78  2.98  0.72
 assign (resid   7 and name HD*  ) (resid   8 and name HA   )  6.14  4.34  0.92
 assign (resid   7 and name HE*  ) (resid  10 and name HE*  )  5.31  3.51  0.80
 assign (resid   7 and name HE*  ) (resid  11 and name HB*  )  6.50  4.70  0.98
 assign (resid  10 and name HE*  ) (resid  45 and name HD2  )  3.91  2.11  0.59
 assign (resid  10 and name HE*  ) (resid  39 and name HE*  )  4.65  2.85  0.70
 assign (resid  10 and name HD*  ) (resid  42 and name HA   )  4.20  2.40  0.63
 assign (resid  10 and name HA   ) (resid  10 and name HE*  )  5.10  3.30  0.77
 assign (resid  10 and name HD*  ) (resid  32 and name HD2* )  4.90  3.10  0.74
 assign (resid  10 and name HD*  ) (resid  13 and name HB*  )  5.54  3.74  0.83
 assign (resid   7 and name HE*  ) (resid  10 and name HD*  )  5.62  3.82  0.84
 assign (resid  10 and name HE*  ) (resid  14 and name HG2  )  5.31  3.51  0.80
 assign (resid  10 and name HE*  ) (resid  32 and name HD1* )  5.17  3.37  0.78
 assign (resid  16 and name HD2  ) (resid  28 and name HG   )  6.50  4.70  0.98
 assign (resid  16 and name HA   ) (resid  19 and name HD2  )  6.44  4.64  0.97
 assign (resid  18 and name HB2  ) (resid  19 and name HD2  )  5.11  3.31  0.77
 assign (resid  18 and name HB1  ) (resid  19 and name HD2  )  5.11  3.31  0.77
 assign (resid  10 and name HA   ) (resid  29 and name HD*  )  4.89  3.09  0.73
 assign (resid  29 and name HD*  ) (resid  49 and name HB1  )  4.99  3.19  0.75
 assign (resid  25 and name HB*  ) (resid  29 and name HD*  )  5.78  3.98  0.87
 assign (resid  26 and name HD1* ) (resid  29 and name HD*  )  5.12  3.32  0.77
 assign (resid  13 and name HB*  ) (resid  29 and name HD*  )  4.46  2.66  0.67
 assign (resid  14 and name HE21 ) (resid  29 and name HZ   )  5.92  4.12  0.89
 assign (resid  14 and name HE22 ) (resid  29 and name HZ   )  5.92  4.12  0.89
 assign (resid  10 and name HA   ) (resid  29 and name HZ   )  6.00  4.20  0.90
 assign (resid  14 and name HB2  ) (resid  29 and name HZ   )  6.40  4.60  0.96
 assign (resid  14 and name HB1  ) (resid  29 and name HZ   )  6.50  4.70  0.98
 assign (resid  14 and name HG2  ) (resid  29 and name HZ   )  4.45  2.65  0.67
 assign (resid  25 and name HB*  ) (resid  29 and name HZ   )  6.29  4.49  0.94
 assign (resid  13 and name HB*  ) (resid  29 and name HZ   )  4.34  2.54  0.65
 assign (resid  39 and name HD*  ) (resid  40 and name HB   )  5.37  3.57  0.81
 assign (resid  32 and name HB1  ) (resid  39 and name HD*  )  4.87  3.07  0.73
 assign (resid  10 and name HB2  ) (resid  39 and name HD*  )  6.02  4.22  0.90
 assign (resid  39 and name HD*  ) (resid  42 and name HA   )  5.33  3.53  0.80
 assign (resid  39 and name HD*  ) (resid  40 and name HA   )  5.73  3.93  0.86
 assign (resid  39 and name HD*  ) (resid  42 and name HG2* )  5.13  3.33  0.77
 assign (resid  32 and name HD1* ) (resid  39 and name HD*  )  4.29  2.49  0.64
 assign (resid  39 and name HD*  ) (resid  40 and name HG1* )  5.39  3.59  0.81
 assign (resid  39 and name HD*  ) (resid  42 and name HG1  )  4.54  2.74  0.68
 assign (resid  10 and name HD*  ) (resid  39 and name HE*  )  4.09  2.29  0.61
 assign (resid  39 and name HA   ) (resid  39 and name HE*  )  5.82  4.02  0.87
 assign (resid  10 and name HB1  ) (resid  39 and name HE*  )  5.33  3.53  0.80
 assign (resid   9 and name HD1  ) (resid  39 and name HE*  )  6.41  4.61  0.96
 assign (resid   6 and name HG1  ) (resid  39 and name HE*  )  5.59  3.79  0.84
 assign (resid  32 and name HD1* ) (resid  39 and name HE*  )  5.71  3.91  0.86
 assign (resid  39 and name HE*  ) (resid  40 and name HG1* )  5.79  3.99  0.87
 assign (resid  33 and name HG1* ) (resid  43 and name HD*  )  5.57  3.77  0.84
 assign (resid  40 and name HG2* ) (resid  43 and name HD*  )  6.14  4.34  0.92
 assign (resid  33 and name HG2* ) (resid  43 and name HD*  )  5.38  3.58  0.81
 assign (resid  37 and name HA   ) (resid  43 and name HE*  )  4.92  3.12  0.74
 assign (resid  44 and name HD*  ) (resid  63 and name HA   )  5.62  3.82  0.84
 assign (resid  44 and name HD*  ) (resid  63 and name HD*  )  5.81  4.01  0.87
 assign (resid  44 and name HD*  ) (resid  63 and name HE*  )  6.22  4.42  0.93
 assign (resid  43 and name HE*  ) (resid  65 and name HE22 )  5.44  3.64  0.82
 assign (resid  39 and name HN   ) (resid  43 and name HE*  )  6.50  4.70  0.98
 assign (resid  43 and name HE*  ) (resid  65 and name HN   )  6.50  4.70  0.98
 assign (resid  43 and name HE*  ) (resid  66 and name HA2  )  5.25  3.45  0.79
 assign (resid  43 and name HE*  ) (resid  65 and name HB1  )  4.28  2.48  0.64
 assign (resid  44 and name HD*  ) (resid  81 and name HB1  )  4.76  2.96  0.71
 assign (resid  44 and name HD*  ) (resid  81 and name HB2  )  5.16  3.36  0.77
 assign (resid  44 and name HE*  ) (resid  81 and name HA   )  5.45  3.65  0.82
 assign (resid  44 and name HE*  ) (resid  81 and name HB1  )  4.43  2.63  0.66
 assign (resid  44 and name HE*  ) (resid  81 and name HB2  )  5.16  3.36  0.77
 assign (resid  44 and name HE*  ) (resid  48 and name HD1  )  6.50  4.70  0.98
 assign (resid  44 and name HE*  ) (resid  48 and name HD2  )  6.50  4.70  0.98
 assign (resid  44 and name HE*  ) (resid  82 and name HB1  )  6.50  4.70  0.98
 assign (resid  44 and name HE*  ) (resid  48 and name HG1  )  5.21  3.41  0.78
 assign (resid  44 and name HE*  ) (resid  85 and name HB*  )  3.31  1.51  0.50
 assign (resid  44 and name HE*  ) (resid  48 and name HG2  )  4.75  2.95  0.71
 assign (resid  10 and name HD*  ) (resid  45 and name HD2  )  5.50  3.70  0.83
 assign (resid  44 and name HE*  ) (resid  82 and name HN   )  6.50  4.70  0.98
 assign (resid  44 and name HE*  ) (resid  84 and name HN   )  6.50  4.70  0.98
 assign (resid  44 and name HD*  ) (resid  45 and name HD2  )  5.62  3.82  0.84
 assign (resid  29 and name HD*  ) (resid  50 and name HD*  )  6.48  4.68  0.97
 assign (resid  26 and name HG   ) (resid  50 and name HD*  )  6.50  4.70  0.98
 assign (resid  63 and name HE*  ) (resid  86 and name HA   )  5.00  3.20  0.75
 assign (resid  30 and name HG2  ) (resid  50 and name HE*  )  6.50  4.70  0.98
 assign (resid  50 and name HE*  ) (resid  55 and name HB1  )  6.50  4.70  0.98
 assign (resid  26 and name HG   ) (resid  50 and name HE*  )  4.25  2.45  0.64
 assign (resid  46 and name HG   ) (resid  50 and name HE*  )  4.09  2.29  0.61
 assign (resid  26 and name HD2* ) (resid  50 and name HE*  )  4.08  2.28  0.61
 assign (resid  48 and name HG2  ) (resid  63 and name HE*  )  4.46  2.66  0.67
 assign (resid  50 and name HE*  ) (resid  55 and name HA   )  6.41  4.61  0.96
 assign (resid  10 and name HD*  ) (resid  14 and name HG2  )  5.97  4.17  0.90
 assign (resid  10 and name HE*  ) (resid  29 and name HA   )  6.34  4.54  0.95
 assign (resid   7 and name HD*  ) (resid  10 and name HE*  )  6.50  4.70  0.98
 assign (resid  40 and name HA   ) (resid  43 and name HD*  )  4.42  2.62  0.66
 assign (resid  45 and name HN   ) (resid  63 and name HE*  )  5.85  4.05  0.88
 assign (resid  44 and name HE*  ) (resid  45 and name HE1  )  4.56  2.76  0.68
 assign (resid  44 and name HD*  ) (resid  45 and name HE1  )  4.59  2.79  0.69
 assign (resid  45 and name HA   ) (resid  45 and name HE1  )  6.31  4.51  0.95
 assign (resid  16 and name HE1  ) (resid  25 and name HN   )  6.50  4.70  0.98
 assign (resid  16 and name HA   ) (resid  16 and name HE1  )  5.75  3.95  0.86
 assign (resid  16 and name HE1  ) (resid  24 and name HD1  )  6.50  4.70  0.98
 assign (resid  16 and name HE1  ) (resid  24 and name HD2  )  6.04  4.24  0.91
 assign (resid  16 and name HE1  ) (resid  24 and name HB2  )  4.88  3.08  0.73
 assign (resid  16 and name HE1  ) (resid  24 and name HG1  )  5.01  3.21  0.75
 assign (resid  12 and name HD2* ) (resid  16 and name HE1  )  4.97  3.17  0.75
 assign (resid  12 and name HD1* ) (resid  16 and name HE1  )  4.38  2.58  0.66
 assign (resid  63 and name HD*  ) (resid  86 and name HB2  )  6.07  4.27  0.91
 assign (resid  60 and name HG2* ) (resid  63 and name HD*  )  4.98  3.18  0.75
 assign (resid  48 and name HN   ) (resid  63 and name HD*  )  6.50  4.70  0.98
 assign (resid  63 and name HD*  ) (resid  89 and name HN   )  6.50  4.70  0.98
 assign (resid  43 and name HD*  ) (resid  50 and name HE*  )  6.50  4.70  0.98
 assign (resid  50 and name HE*  ) (resid  58 and name HN   )  6.50  4.70  0.98
 assign (resid  63 and name HE*  ) (resid  86 and name HN   )  6.50  4.70  0.98
 assign (resid  47 and name HN   ) (resid  63 and name HE*  )  6.14  4.34  0.92
 assign (resid  50 and name HE*  ) (resid  58 and name HB1  )  4.75  2.95  0.71
 assign (resid   1 and name HA   ) (resid   1 and name HG*  )  3.60  1.80  0.54
 assign (resid   1 and name HA   ) (resid   2 and name HB*  )  6.50  4.70  0.98
 assign (resid   1 and name HB*  ) (resid   2 and name HN   )  3.38  1.58  0.51
 assign (resid   1 and name HG*  ) (resid   2 and name HN   )  4.97  3.17  0.75
 assign (resid   2 and name HN   ) (resid   2 and name HB*  )  3.03  1.23  0.45
 assign (resid   2 and name HA   ) (resid   3 and name HG*  )  4.46  2.66  0.67
 assign (resid   2 and name HB*  ) (resid   3 and name HD2  )  3.46  1.66  0.52
 assign (resid   2 and name HB*  ) (resid   3 and name HD1  )  4.32  2.52  0.65
 assign (resid   2 and name HB*  ) (resid   4 and name HN   )  4.72  2.92  0.71
 assign (resid   2 and name HB*  ) (resid   5 and name HN   )  6.27  4.47  0.94
 assign (resid   3 and name HG*  ) (resid   4 and name HN   )  3.77  1.97  0.57
 assign (resid   3 and name HG*  ) (resid   8 and name HG2* )  5.25  3.45  0.79
 assign (resid   4 and name HN   ) (resid   4 and name HB*  )  3.11  1.31  0.47
 assign (resid   4 and name HN   ) (resid   4 and name HG*  )  3.09  1.29  0.46
 assign (resid   4 and name HA   ) (resid   4 and name HG*  )  3.08  1.28  0.46
 assign (resid   4 and name HB*  ) (resid   4 and name HG*  )  2.25  0.45  0.34
 assign (resid   4 and name HG*  ) (resid   5 and name HN   )  4.20  2.40  0.63
 assign (resid   5 and name HN   ) (resid   6 and name HD*  )  4.68  2.88  0.70
 assign (resid   5 and name HA   ) (resid   6 and name HB*  )  5.06  3.26  0.76
 assign (resid   6 and name HB*  ) (resid   7 and name HN   )  3.52  1.72  0.53
 assign (resid   6 and name HB*  ) (resid   7 and name HA   )  5.72  3.92  0.86
 assign (resid   6 and name HB*  ) (resid   8 and name HN   )  5.29  3.49  0.79
 assign (resid   6 and name HB*  ) (resid  32 and name HD1* )  4.43  2.63  0.66
 assign (resid   6 and name HB*  ) (resid  32 and name HD2* )  3.47  1.67  0.52
 assign (resid   6 and name HB*  ) (resid  39 and name HD*  )  4.73  2.93  0.71
 assign (resid   6 and name HB*  ) (resid  39 and name HE*  )  4.88  3.08  0.73
 assign (resid   6 and name HD*  ) (resid   7 and name HB2  )  5.46  3.66  0.82
 assign (resid  10 and name HD*  ) (resid  14 and name HE*  )  5.31  3.51  0.80
 assign (resid  10 and name HE*  ) (resid  14 and name HE*  )  4.79  2.99  0.72
 assign (resid  11 and name HA   ) (resid  14 and name HE*  )  6.27  4.47  0.94
 assign (resid  14 and name HN   ) (resid  14 and name HE*  )  5.16  3.36  0.77
 assign (resid  14 and name HE*  ) (resid  29 and name HZ   )  5.16  3.36  0.77
 assign (resid  14 and name HE*  ) (resid  45 and name HD2  )  5.67  3.87  0.85
 assign (resid  14 and name HE*  ) (resid  45 and name HE1  )  4.94  3.14  0.74
 assign (resid  15 and name HA   ) (resid  18 and name HG*  )  3.80  2.00  0.57
 assign (resid  15 and name HA   ) (resid  18 and name HD*  )  3.96  2.16  0.59
 assign (resid  15 and name HA   ) (resid  18 and name HE*  )  4.88  3.08  0.73
 assign (resid  15 and name HG2  ) (resid  18 and name HD*  )  5.50  3.70  0.83
 assign (resid  16 and name HA   ) (resid  19 and name HB*  )  3.50  1.70  0.53
 assign (resid  17 and name HB2  ) (resid  18 and name HG*  )  3.88  2.08  0.58
 assign (resid  17 and name HD1* ) (resid  52 and name HD*  )  4.72  2.92  0.71
 assign (resid  18 and name HN   ) (resid  18 and name HB*  )  2.68  0.88  0.40
 assign (resid  18 and name HN   ) (resid  18 and name HG*  )  3.04  1.24  0.46
 assign (resid  18 and name HN   ) (resid  18 and name HD*  )  4.57  2.77  0.69
 assign (resid  18 and name HN   ) (resid  18 and name HE*  )  5.54  3.74  0.83
 assign (resid  18 and name HA   ) (resid  18 and name HG*  )  3.35  1.55  0.50
 assign (resid  18 and name HA   ) (resid  18 and name HD*  )  5.04  3.24  0.76
 assign (resid  18 and name HA   ) (resid  18 and name HE*  )  6.25  4.45  0.94
 assign (resid  18 and name HB*  ) (resid  18 and name HD*  )  2.85  1.05  0.43
 assign (resid  18 and name HB*  ) (resid  18 and name HE*  )  4.33  2.53  0.65
 assign (resid  18 and name HB*  ) (resid  19 and name HN   )  4.19  2.39  0.63
 assign (resid  18 and name HB*  ) (resid  19 and name HD2  )  4.40  2.60  0.66
 assign (resid  18 and name HG*  ) (resid  18 and name HD*  )  2.33  0.53  0.35
 assign (resid  18 and name HG*  ) (resid  18 and name HE*  )  3.33  1.53  0.50
 assign (resid  18 and name HG*  ) (resid  19 and name HN   )  4.43  2.63  0.66
 assign (resid  18 and name HG*  ) (resid  19 and name HD2  )  5.61  3.81  0.84
 assign (resid  18 and name HG*  ) (resid  20 and name HN   )  5.71  3.91  0.86
 assign (resid  18 and name HD*  ) (resid  19 and name HD2  )  5.26  3.46  0.79
 assign (resid  19 and name HN   ) (resid  19 and name HB*  )  3.13  1.33  0.47
 assign (resid  19 and name HN   ) (resid  20 and name HB*  )  5.45  3.65  0.82
 assign (resid  19 and name HB*  ) (resid  20 and name HN   )  3.64  1.84  0.55
 assign (resid  19 and name HB*  ) (resid  21 and name HN   )  4.02  2.22  0.60
 assign (resid  19 and name HB*  ) (resid  21 and name HD21 )  6.04  4.24  0.91
 assign (resid  19 and name HB*  ) (resid  21 and name HD22 )  6.00  4.20  0.90
 assign (resid  20 and name HN   ) (resid  20 and name HB*  )  3.06  1.26  0.46
 assign (resid  20 and name HB*  ) (resid  21 and name HN   )  3.94  2.14  0.59
 assign (resid  21 and name HA   ) (resid  23 and name HB*  )  5.00  3.20  0.75
 assign (resid  22 and name HB*  ) (resid  23 and name HB*  )  5.11  3.31  0.77
 assign (resid  23 and name HN   ) (resid  23 and name HB*  )  3.26  1.46  0.49
 assign (resid  23 and name HB*  ) (resid  24 and name HN   )  3.75  1.95  0.56
 assign (resid  29 and name HB1  ) (resid  46 and name HB*  )  4.03  2.23  0.60
 assign (resid  29 and name HD*  ) (resid  45 and name HB*  )  5.61  3.81  0.84
 assign (resid  29 and name HD*  ) (resid  46 and name HB*  )  5.33  3.53  0.80
 assign (resid  29 and name HE*  ) (resid  45 and name HB*  )  4.57  2.77  0.69
 assign (resid  29 and name HE*  ) (resid  52 and name HD*  )  6.27  4.47  0.94
 assign (resid  29 and name HZ   ) (resid  45 and name HB*  )  4.27  2.47  0.64
 assign (resid  31 and name HN   ) (resid  31 and name HG*  )  4.65  2.85  0.70
 assign (resid  31 and name HA   ) (resid  31 and name HG*  )  3.21  1.41  0.48
 assign (resid  31 and name HG*  ) (resid  32 and name HN   )  5.00  3.20  0.75
 assign (resid  31 and name HG*  ) (resid  35 and name HG2* )  3.56  1.76  0.53
 assign (resid  34 and name HA   ) (resid  37 and name HD*  )  6.28  4.48  0.94
 assign (resid  35 and name HN   ) (resid  37 and name HD*  )  5.89  4.09  0.88
 assign (resid  35 and name HA   ) (resid  37 and name HD*  )  5.19  3.39  0.78
 assign (resid  38 and name HN   ) (resid  38 and name HB*  )  3.61  1.81  0.54
 assign (resid  38 and name HB*  ) (resid  39 and name HN   )  3.97  2.17  0.60
 assign (resid  38 and name HB*  ) (resid  39 and name HA   )  5.44  3.64  0.82
 assign (resid  39 and name HD*  ) (resid  41 and name HA*  )  5.07  3.27  0.76
 assign (resid  39 and name HE*  ) (resid  41 and name HA*  )  4.42  2.62  0.66
 assign (resid  40 and name HN   ) (resid  41 and name HA*  )  5.25  3.45  0.79
 assign (resid  40 and name HG1* ) (resid  41 and name HA*  )  3.92  2.12  0.59
 assign (resid  41 and name HA*  ) (resid  43 and name HN   )  4.44  2.64  0.67
 assign (resid  41 and name HA*  ) (resid  44 and name HN   )  6.27  4.47  0.94
 assign (resid  41 and name HA*  ) (resid  45 and name HN   )  5.18  3.38  0.78
 assign (resid  42 and name HA   ) (resid  45 and name HB*  )  4.89  3.09  0.73
 assign (resid  42 and name HG2* ) (resid  46 and name HB*  )  4.05  2.25  0.61
 assign (resid  43 and name HN   ) (resid  44 and name HB*  )  5.62  3.82  0.84
 assign (resid  43 and name HN   ) (resid  46 and name HB*  )  5.09  3.29  0.76
 assign (resid  44 and name HN   ) (resid  44 and name HB*  )  3.38  1.58  0.51
 assign (resid  44 and name HB*  ) (resid  45 and name HA   )  5.29  3.49  0.79
 assign (resid  44 and name HB*  ) (resid  45 and name HD2  )  6.27  4.47  0.94
 assign (resid  44 and name HB*  ) (resid  47 and name HN   )  6.21  4.41  0.93
 assign (resid  44 and name HB*  ) (resid  48 and name HG2  )  5.08  3.28  0.76
 assign (resid  44 and name HB*  ) (resid  82 and name HG   )  5.14  3.34  0.77
 assign (resid  44 and name HB*  ) (resid  82 and name HD2* )  3.78  1.98  0.57
 assign (resid  44 and name HD*  ) (resid  81 and name HG*  )  5.15  3.35  0.77
 assign (resid  44 and name HE*  ) (resid  48 and name HE*  )  3.76  1.96  0.56
 assign (resid  44 and name HE*  ) (resid  81 and name HG*  )  4.33  2.53  0.65
 assign (resid  45 and name HN   ) (resid  45 and name HB*  )  3.00  1.20  0.45
 assign (resid  45 and name HN   ) (resid  46 and name HB*  )  4.59  2.79  0.69
 assign (resid  45 and name HB*  ) (resid  46 and name HN   )  3.50  1.70  0.53
 assign (resid  45 and name HB*  ) (resid  49 and name HN   )  5.49  3.69  0.82
 assign (resid  45 and name HB*  ) (resid  49 and name HD2* )  6.27  4.47  0.94
 assign (resid  46 and name HB*  ) (resid  46 and name HD1* )  2.98  1.18  0.45
 assign (resid  46 and name HB*  ) (resid  46 and name HD2* )  2.57  0.77  0.39
 assign (resid  46 and name HB*  ) (resid  47 and name HN   )  3.41  1.61  0.51
 assign (resid  46 and name HB*  ) (resid  47 and name HA2  )  5.67  3.87  0.85
 assign (resid  46 and name HB*  ) (resid  62 and name HG2* )  3.26  1.46  0.49
 assign (resid  48 and name HN   ) (resid  48 and name HE*  )  5.62  3.82  0.84
 assign (resid  48 and name HA   ) (resid  48 and name HE*  )  4.06  2.26  0.61
 assign (resid  48 and name HB2  ) (resid  48 and name HE*  )  6.27  4.47  0.94
 assign (resid  48 and name HB1  ) (resid  48 and name HE*  )  4.75  2.95  0.71
 assign (resid  48 and name HG2  ) (resid  48 and name HE*  )  3.56  1.76  0.53
 assign (resid  48 and name HG1  ) (resid  48 and name HE*  )  3.10  1.30  0.47
 assign (resid  48 and name HE*  ) (resid  85 and name HA   )  4.74  2.94  0.71
 assign (resid  48 and name HE*  ) (resid  85 and name HB*  )  3.65  1.85  0.55
 assign (resid  49 and name HA   ) (resid  52 and name HD*  )  4.05  2.25  0.61
 assign (resid  49 and name HD1* ) (resid  52 and name HD*  )  3.20  1.40  0.48
 assign (resid  52 and name HN   ) (resid  52 and name HD*  )  4.54  2.74  0.68
 assign (resid  52 and name HA   ) (resid  52 and name HD*  )  3.93  2.13  0.59
 assign (resid  52 and name HD*  ) (resid  53 and name HN   )  5.36  3.56  0.80
 assign (resid  52 and name HD*  ) (resid  53 and name HD2* )  4.93  3.13  0.74
 assign (resid  53 and name HN   ) (resid  54 and name HB*  )  5.49  3.69  0.82
 assign (resid  53 and name HA   ) (resid  54 and name HB*  )  4.98  3.18  0.75
 assign (resid  54 and name HN   ) (resid  54 and name HB*  )  3.18  1.38  0.48
 assign (resid  54 and name HB*  ) (resid  55 and name HN   )  4.06  2.26  0.61
 assign (resid  56 and name HN   ) (resid  57 and name HB*  )  5.22  3.42  0.78
 assign (resid  56 and name HG2* ) (resid  93 and name HG*  )  6.10  4.30  0.92
 assign (resid  57 and name HN   ) (resid  57 and name HB*  )  3.02  1.22  0.45
 assign (resid  57 and name HN   ) (resid  93 and name HG*  )  5.91  4.11  0.89
 assign (resid  57 and name HB*  ) (resid  58 and name HB2  )  5.74  3.94  0.86
 assign (resid  57 and name HB*  ) (resid  59 and name HN   )  5.39  3.59  0.81
 assign (resid  57 and name HB*  ) (resid  60 and name HN   )  5.59  3.79  0.84
 assign (resid  57 and name HB*  ) (resid  60 and name HG12 )  6.05  4.25  0.91
 assign (resid  60 and name HG12 ) (resid  93 and name HG*  )  6.06  4.26  0.91
 assign (resid  67 and name HG2* ) (resid  71 and name HD*  )  3.84  2.04  0.58
 assign (resid  68 and name HA   ) (resid  71 and name HD*  )  4.74  2.94  0.71
 assign (resid  68 and name HA   ) (resid  72 and name HG*  )  4.41  2.61  0.66
 assign (resid  69 and name HA   ) (resid  72 and name HG*  )  4.92  3.12  0.74
 assign (resid  70 and name HB*  ) (resid  72 and name HG*  )  6.27  4.47  0.94
 assign (resid  71 and name HN   ) (resid  71 and name HD*  )  4.36  2.56  0.65
 assign (resid  71 and name HA   ) (resid  71 and name HD*  )  4.89  3.09  0.73
 assign (resid  71 and name HB2  ) (resid  71 and name HD*  )  3.31  1.51  0.50
 assign (resid  71 and name HB1  ) (resid  71 and name HD*  )  2.92  1.12  0.44
 assign (resid  71 and name HB1  ) (resid  76 and name HE*  )  6.27  4.47  0.94
 assign (resid  71 and name HG2  ) (resid  72 and name HG*  )  4.92  3.12  0.74
 assign (resid  71 and name HD*  ) (resid  72 and name HN   )  4.77  2.97  0.72
 assign (resid  71 and name HD*  ) (resid  72 and name HG*  )  5.29  3.49  0.79
 assign (resid  71 and name HD*  ) (resid  79 and name HD2* )  3.89  2.09  0.58
 assign (resid  72 and name HA   ) (resid  72 and name HG*  )  3.15  1.35  0.47
 assign (resid  72 and name HB1  ) (resid  72 and name HG*  )  2.52  0.72  0.38
 assign (resid  72 and name HG*  ) (resid  73 and name HN   )  4.35  2.55  0.65
 assign (resid  76 and name HN   ) (resid  76 and name HG*  )  4.54  2.74  0.68
 assign (resid  76 and name HA   ) (resid  76 and name HG*  )  3.17  1.37  0.48
 assign (resid  76 and name HA   ) (resid  76 and name HE*  )  4.56  2.76  0.68
 assign (resid  76 and name HB1  ) (resid  76 and name HG*  )  2.56  0.76  0.38
 assign (resid  76 and name HG*  ) (resid  76 and name HE*  )  3.17  1.37  0.48
 assign (resid  76 and name HG*  ) (resid  77 and name HN   )  4.89  3.09  0.73
 assign (resid  76 and name HG*  ) (resid  79 and name HD2* )  4.44  2.64  0.67
 assign (resid  76 and name HG*  ) (resid  80 and name HN   )  4.40  2.60  0.66
 assign (resid  76 and name HG*  ) (resid  80 and name HB*  )  4.74  2.94  0.71
 assign (resid  76 and name HE*  ) (resid  79 and name HB1  )  6.27  4.47  0.94
 assign (resid  76 and name HE*  ) (resid  79 and name HG   )  6.27  4.47  0.94
 assign (resid  76 and name HE*  ) (resid  79 and name HD2* )  3.81  2.01  0.57
 assign (resid  77 and name HN   ) (resid  77 and name HD*  )  5.00  3.20  0.75
 assign (resid  77 and name HA   ) (resid  77 and name HD*  )  4.59  2.79  0.69
 assign (resid  77 and name HA   ) (resid  77 and name HE*  )  6.27  4.47  0.94
 assign (resid  77 and name HA   ) (resid  80 and name HB*  )  3.07  1.27  0.46
 assign (resid  77 and name HB2  ) (resid  77 and name HD*  )  2.90  1.10  0.44
 assign (resid  77 and name HB2  ) (resid  77 and name HE*  )  4.60  2.80  0.69
 assign (resid  77 and name HB1  ) (resid  77 and name HD*  )  2.53  0.73  0.38
 assign (resid  77 and name HG2  ) (resid  80 and name HB*  )  5.18  3.38  0.78
 assign (resid  77 and name HG2  ) (resid  81 and name HG*  )  4.23  2.43  0.63
 assign (resid  77 and name HG1  ) (resid  81 and name HG*  )  4.51  2.71  0.68
 assign (resid  77 and name HD*  ) (resid  78 and name HN   )  5.24  3.44  0.79
 assign (resid  78 and name HA   ) (resid  81 and name HG*  )  4.05  2.25  0.61
 assign (resid  79 and name HN   ) (resid  80 and name HB*  )  4.83  3.03  0.72
 assign (resid  79 and name HG   ) (resid  80 and name HB*  )  5.70  3.90  0.86
 assign (resid  79 and name HD1* ) (resid  80 and name HB*  )  6.27  4.47  0.94
 assign (resid  79 and name HD2* ) (resid  80 and name HB*  )  6.27  4.47  0.94
 assign (resid  80 and name HN   ) (resid  80 and name HB*  )  2.75  0.95  0.41
 assign (resid  80 and name HA   ) (resid  80 and name HB*  )  2.63  0.83  0.39
 assign (resid  80 and name HB*  ) (resid  81 and name HN   )  2.92  1.12  0.44
 assign (resid  80 and name HB*  ) (resid  81 and name HB2  )  4.70  2.90  0.70
 assign (resid  80 and name HB*  ) (resid  81 and name HG*  )  4.02  2.22  0.60
 assign (resid  80 and name HB*  ) (resid  83 and name HE21 )  5.00  3.20  0.75
 assign (resid  80 and name HB*  ) (resid  83 and name HE22 )  5.94  4.14  0.89
 assign (resid  81 and name HN   ) (resid  81 and name HG*  )  3.00  1.20  0.45
 assign (resid  81 and name HA   ) (resid  81 and name HG*  )  3.06  1.26  0.46
 assign (resid  81 and name HG*  ) (resid  82 and name HN   )  4.75  2.95  0.71
 assign (resid  85 and name HA   ) (resid  88 and name HD*  )  4.63  2.83  0.69
 assign (resid  88 and name HN   ) (resid  88 and name HD*  )  4.34  2.54  0.65
 assign (resid  88 and name HA   ) (resid  88 and name HD*  )  4.19  2.39  0.63
 assign (resid  88 and name HG2  ) (resid  88 and name HD*  )  2.51  0.71  0.38
 assign (resid  88 and name HG2  ) (resid  88 and name HE*  )  3.62  1.82  0.54
 assign (resid  88 and name HG1  ) (resid  88 and name HE*  )  3.72  1.92  0.56
 assign (resid  88 and name HD*  ) (resid  89 and name HN   )  5.00  3.20  0.75
 assign (resid  88 and name HD*  ) (resid  89 and name HA   )  4.60  2.80  0.69
 assign (resid  88 and name HE*  ) (resid  89 and name HN   )  5.20  3.40  0.78
 assign (resid  90 and name HN   ) (resid  91 and name HA*  )  5.13  3.33  0.77
 assign (resid  91 and name HA*  ) (resid  92 and name HA   )  4.61  2.81  0.69
 assign (resid  91 and name HA*  ) (resid  92 and name HG   )  4.84  3.04  0.73
 assign (resid  91 and name HA*  ) (resid  92 and name HD2* )  5.40  3.60  0.81
 assign (resid  91 and name HA*  ) (resid  93 and name HN   )  5.01  3.21  0.75
 assign (resid  93 and name HN   ) (resid  93 and name HB*  )  3.15  1.35  0.47
 assign (resid  93 and name HN   ) (resid  93 and name HG*  )  3.39  1.59  0.51
 assign (resid  93 and name HN   ) (resid  94 and name HB*  )  5.09  3.29  0.76
 assign (resid  93 and name HA   ) (resid  93 and name HG*  )  3.34  1.54  0.50
 assign (resid  93 and name HA   ) (resid  94 and name HB*  )  5.35  3.55  0.80
 assign (resid  93 and name HB*  ) (resid  93 and name HG*  )  2.21  0.41  0.33
 assign (resid  93 and name HB*  ) (resid  94 and name HN   )  3.75  1.95  0.56
 assign (resid  93 and name HG*  ) (resid  94 and name HN   )  4.74  2.94  0.71
 assign (resid  93 and name HG*  ) (resid  94 and name HA   )  6.50  4.70  0.98
 assign (resid  94 and name HA   ) (resid  94 and name HB*  )  2.63  0.83  0.39
 assign (resid  94 and name HB*  ) (resid  95 and name HN   )  4.15  2.35  0.62
 assign (resid   6 and name O    ) (resid  10 and name HN   )  2.00  0.20  0.30
 assign (resid   6 and name O    ) (resid  10 and name N    )  3.00  1.20  0.45
 assign (resid   7 and name O    ) (resid  11 and name HN   )  2.00  0.20  0.30
 assign (resid   7 and name O    ) (resid  11 and name N    )  3.00  1.20  0.45
 assign (resid   9 and name O    ) (resid  13 and name HN   )  2.00  0.20  0.30
 assign (resid   9 and name O    ) (resid  13 and name N    )  3.00  1.20  0.45
 assign (resid  11 and name O    ) (resid  15 and name HN   )  2.00  0.20  0.30
 assign (resid  11 and name O    ) (resid  15 and name N    )  3.00  1.20  0.45
 assign (resid  12 and name O    ) (resid  16 and name HN   )  2.00  0.20  0.30
 assign (resid  12 and name O    ) (resid  16 and name N    )  3.00  1.20  0.45
 assign (resid  13 and name O    ) (resid  17 and name HN   )  2.00  0.20  0.30
 assign (resid  13 and name O    ) (resid  17 and name N    )  3.00  1.20  0.45
 assign (resid  21 and name O    ) (resid  25 and name HN   )  2.00  0.20  0.30
 assign (resid  21 and name O    ) (resid  25 and name N    )  3.00  1.20  0.45
 assign (resid  22 and name O    ) (resid  26 and name HN   )  2.00  0.20  0.30
 assign (resid  22 and name O    ) (resid  26 and name N    )  3.00  1.20  0.45
 assign (resid  24 and name O    ) (resid  28 and name HN   )  2.00  0.20  0.30
 assign (resid  24 and name O    ) (resid  28 and name N    )  3.00  1.20  0.45
 assign (resid  26 and name O    ) (resid  30 and name HN   )  2.00  0.20  0.30
 assign (resid  26 and name O    ) (resid  30 and name N    )  3.00  1.20  0.45
 assign (resid  27 and name O    ) (resid  31 and name HN   )  2.00  0.20  0.30
 assign (resid  27 and name O    ) (resid  31 and name N    )  3.00  1.20  0.45
 assign (resid  28 and name O    ) (resid  32 and name HN   )  2.00  0.20  0.30
 assign (resid  28 and name O    ) (resid  32 and name N    )  3.00  1.20  0.45
 assign (resid  29 and name O    ) (resid  33 and name HN   )  2.00  0.20  0.30
 assign (resid  29 and name O    ) (resid  33 and name N    )  3.00  1.20  0.45
 assign (resid  30 and name O    ) (resid  34 and name HN   )  2.00  0.20  0.30
 assign (resid  30 and name O    ) (resid  34 and name N    )  3.00  1.20  0.45
 assign (resid  31 and name O    ) (resid  35 and name HN   )  2.00  0.20  0.30
 assign (resid  31 and name O    ) (resid  35 and name N    )  3.00  1.20  0.45
 assign (resid  42 and name O    ) (resid  46 and name HN   )  2.00  0.20  0.30
 assign (resid  42 and name O    ) (resid  46 and name N    )  3.00  1.20  0.45
 assign (resid  43 and name O    ) (resid  47 and name HN   )  2.00  0.20  0.30
 assign (resid  43 and name O    ) (resid  47 and name N    )  3.00  1.20  0.45
 assign (resid  44 and name O    ) (resid  48 and name HN   )  2.00  0.20  0.30
 assign (resid  44 and name O    ) (resid  48 and name N    )  3.00  1.20  0.45
 assign (resid  45 and name O    ) (resid  49 and name HN   )  2.00  0.20  0.30
 assign (resid  45 and name O    ) (resid  49 and name N    )  3.00  1.20  0.45
 assign (resid  46 and name O    ) (resid  50 and name HN   )  2.00  0.20  0.30
 assign (resid  46 and name O    ) (resid  50 and name N    )  3.00  1.20  0.45
 assign (resid  55 and name O    ) (resid  59 and name HN   )  2.00  0.20  0.30
 assign (resid  55 and name O    ) (resid  59 and name N    )  3.00  1.20  0.45
 assign (resid  56 and name O    ) (resid  60 and name HN   )  2.00  0.20  0.30
 assign (resid  56 and name O    ) (resid  60 and name N    )  3.00  1.20  0.45
 assign (resid  58 and name O    ) (resid  62 and name HN   )  2.00  0.20  0.30
 assign (resid  58 and name O    ) (resid  62 and name N    )  3.00  1.20  0.45
 assign (resid  59 and name O    ) (resid  63 and name HN   )  2.00  0.20  0.30
 assign (resid  59 and name O    ) (resid  63 and name N    )  3.00  1.20  0.45
 assign (resid  60 and name O    ) (resid  64 and name HN   )  2.00  0.20  0.30
 assign (resid  60 and name O    ) (resid  64 and name N    )  3.00  1.20  0.45
 assign (resid  61 and name O    ) (resid  65 and name HN   )  2.00  0.20  0.30
 assign (resid  61 and name O    ) (resid  65 and name N    )  3.00  1.20  0.45
 assign (resid  62 and name O    ) (resid  66 and name HN   )  2.00  0.20  0.30
 assign (resid  62 and name O    ) (resid  66 and name N    )  3.00  1.20  0.45
 assign (resid  63 and name O    ) (resid  67 and name HN   )  2.00  0.20  0.30
 assign (resid  63 and name O    ) (resid  67 and name N    )  3.00  1.20  0.45
 assign (resid  67 and name O    ) (resid  71 and name HN   )  2.00  0.20  0.30
 assign (resid  67 and name O    ) (resid  71 and name N    )  3.00  1.20  0.45
 assign (resid  69 and name O    ) (resid  73 and name HN   )  2.00  0.20  0.30
 assign (resid  69 and name O    ) (resid  73 and name N    )  3.00  1.20  0.45
 assign (resid  76 and name O    ) (resid  80 and name HN   )  2.00  0.20  0.30
 assign (resid  76 and name O    ) (resid  80 and name N    )  3.00  1.20  0.45
 assign (resid  77 and name O    ) (resid  81 and name HN   )  2.00  0.20  0.30
 assign (resid  77 and name O    ) (resid  81 and name N    )  3.00  1.20  0.45
 assign (resid  78 and name O    ) (resid  82 and name HN   )  2.00  0.20  0.30
 assign (resid  78 and name O    ) (resid  82 and name N    )  3.00  1.20  0.45
 assign (resid  79 and name O    ) (resid  83 and name HN   )  2.00  0.20  0.30
 assign (resid  79 and name O    ) (resid  83 and name N    )  3.00  1.20  0.45
 assign (resid  80 and name O    ) (resid  84 and name HN   )  2.00  0.20  0.30
 assign (resid  80 and name O    ) (resid  84 and name N    )  3.00  1.20  0.45
 assign (resid  81 and name O    ) (resid  85 and name HN   )  2.00  0.20  0.30
 assign (resid  81 and name O    ) (resid  85 and name N    )  3.00  1.20  0.45
 assign (resid  82 and name O    ) (resid  86 and name HN   )  2.00  0.20  0.30
 assign (resid  82 and name O    ) (resid  86 and name N    )  3.00  1.20  0.45
 assign (resid  83 and name O    ) (resid  87 and name HN   )  2.00  0.20  0.30
 assign (resid  83 and name O    ) (resid  87 and name N    )  3.00  1.20  0.45
 assign (resid  84 and name O    ) (resid  88 and name HN   )  2.00  0.20  0.30
 assign (resid  84 and name O    ) (resid  88 and name N    )  3.00  1.20  0.45
 assign (resid  85 and name O    ) (resid  89 and name HN   )  2.00  0.20  0.30
 assign (resid  85 and name O    ) (resid  89 and name N    )  3.00  1.20  0.45
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid   7  and name N   )
       ( resid   7  and name HN  )-15.3460  2.5000
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid   8  and name N   )
       ( resid   8  and name HN  ) -7.3040  2.5000
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid   9  and name N   )
       ( resid   9  and name HN  )  0.6920  2.5000
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  12  and name N   )
       ( resid  12  and name HN  ) -4.4000  2.5000
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  13  and name N   )
       ( resid  13  and name HN  ) -1.1120  2.5000
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  14  and name N   )
       ( resid  14  and name HN  )-11.6320  2.5000
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  16  and name N   )
       ( resid  16  and name HN  ) -2.9240  2.5000
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  17  and name N   )
       ( resid  17  and name HN  ) -4.0880  2.5000
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  19  and name N   )
       ( resid  19  and name HN  ) -0.7340  2.5000
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  20  and name N   )
       ( resid  20  and name HN  ) 11.4800  2.5000
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  22  and name N   )
       ( resid  22  and name HN  ) -8.3740  2.5000
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  23  and name N   )
       ( resid  23  and name HN  )  3.7960  2.5000
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  24  and name N   )
       ( resid  24  and name HN  )  9.4700  2.5000
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  25  and name N   )
       ( resid  25  and name HN  ) -6.4080  2.5000
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  26  and name N   )
       ( resid  26  and name HN  )  6.8860  2.5000
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  27  and name N   )
       ( resid  27  and name HN  )  6.8840  2.5000
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  28  and name N   )
       ( resid  28  and name HN  )  4.5100  2.5000
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  29  and name N   )
       ( resid  29  and name HN  ) -4.6440  2.5000
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  30  and name N   )
       ( resid  30  and name HN  )  5.2300  2.5000
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  31  and name N   )
       ( resid  31  and name HN  ) 11.1320  2.5000
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  33  and name N   )
       ( resid  33  and name HN  ) -2.3500  2.5000
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  34  and name N   )
       ( resid  34  and name HN  )  5.0580  2.5000
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  35  and name N   )
       ( resid  35  and name HN  )  7.2640  2.5000
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  36  and name N   )
       ( resid  36  and name HN  )-12.8980  2.5000
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  38  and name N   )
       ( resid  38  and name HN  )-15.3760  2.5000
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  39  and name N   )
       ( resid  39  and name HN  )  7.0780  2.5000
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  40  and name N   )
       ( resid  40  and name HN  ) -4.9140  2.5000
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  41  and name N   )
       ( resid  41  and name HN  )-24.3360  2.5000
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  42  and name N   )
       ( resid  42  and name HN  )-12.2280  2.5000
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  43  and name N   )
       ( resid  43  and name HN  ) -6.3340  2.5000
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  44  and name N   )
       ( resid  44  and name HN  ) -8.9420  2.5000
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  45  and name N   )
       ( resid  45  and name HN  )-17.5020  2.5000
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  47  and name N   )
       ( resid  47  and name HN  ) -0.1400  2.5000
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  49  and name N   )
       ( resid  49  and name HN  )-14.2160  2.5000
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  50  and name N   )
       ( resid  50  and name HN  ) -5.5040  2.5000
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  53  and name N   )
       ( resid  53  and name HN  ) -5.2240  2.5000
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  54  and name N   )
       ( resid  54  and name HN  ) 18.8220  2.5000
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  55  and name N   )
       ( resid  55  and name HN  )  4.7400  2.5000
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  56  and name N   )
       ( resid  56  and name HN  )-11.8200  2.5000
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  57  and name N   )
       ( resid  57  and name HN  )  4.8320  2.5000
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  58  and name N   )
       ( resid  58  and name HN  )  1.6360  2.5000
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  59  and name N   )
       ( resid  59  and name HN  )-12.4620  2.5000
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  60  and name N   )
       ( resid  60  and name HN  ) -6.2700  2.5000
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  63  and name N   )
       ( resid  63  and name HN  )-13.1560  2.5000
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  64  and name N   )
       ( resid  64  and name HN  ) -1.6640  2.5000
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  66  and name N   )
       ( resid  66  and name HN  ) -8.9060  2.5000
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  67  and name N   )
       ( resid  67  and name HN  ) -5.1380  2.5000
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  68  and name N   )
       ( resid  68  and name HN  )  6.7640  2.5000
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  69  and name N   )
       ( resid  69  and name HN  ) -2.9960  2.5000
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  70  and name N   )
       ( resid  70  and name HN  ) -9.7380  2.5000
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  71  and name N   )
       ( resid  71  and name HN  )  4.3460  2.5000
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  73  and name N   )
       ( resid  73  and name HN  ) -7.2380  2.5000
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  74  and name N   )
       ( resid  74  and name HN  ) -3.8520  2.5000
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  75  and name N   )
       ( resid  75  and name HN  ) 10.6660  2.5000
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  78  and name N   )
       ( resid  78  and name HN  )-15.2800  2.5000
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  79  and name N   )
       ( resid  79  and name HN  ) -5.4920  2.5000
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  80  and name N   )
       ( resid  80  and name HN  ) -8.2460  2.5000
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  83  and name N   )
       ( resid  83  and name HN  ) -3.9340  2.5000
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  85  and name N   )
       ( resid  85  and name HN  )-21.4680  2.5000
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  86  and name N   )
       ( resid  86  and name HN  ) -9.8980  2.5000
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  87  and name N   )
       ( resid  87  and name HN  ) -5.9800  2.5000
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  88  and name N   )
       ( resid  88  and name HN  )-19.2080  2.5000
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  89  and name N   )
       ( resid  89  and name HN  )-17.3960  2.5000
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  90  and name N   )
       ( resid  90  and name HN  ) -1.2280  2.5000
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  91  and name N   )
       ( resid  91  and name HN  ) -9.0500  2.5000

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLU   1           1H       GLU   1 -12.198  -0.579  20.023
    2    H2   GLU   1           2H       GLU   1 -13.072   0.281  18.862
    3    H3   GLU   1           3H       GLU   1 -11.757   1.005  19.632
    4    HA   GLU   1           HA       GLU   1 -11.285   0.310  17.367
    5    HB2  GLU   1           2HB      GLU   1  -9.111  -0.786  17.841
    6    HB3  GLU   1           3HB      GLU   1  -9.413   0.574  18.907
    7    HG2  GLU   1           2HG      GLU   1  -9.700  -2.357  19.680
    8    HG3  GLU   1           3HG      GLU   1  -8.319  -1.334  20.054
    9    H    ASP   2           H        ASP   2 -12.294  -0.924  15.958
   10    HA   ASP   2           HA       ASP   2 -12.533  -3.857  16.363
   11    HB2  ASP   2           2HB      ASP   2 -14.171  -2.039  14.510
   12    HB3  ASP   2           3HB      ASP   2 -14.357  -3.787  14.649
   13    HA   PRO   3           HA       PRO   3  -9.636  -4.146  12.892
   14    HB2  PRO   3           2HB      PRO   3 -10.171  -6.687  12.014
   15    HB3  PRO   3           3HB      PRO   3  -9.283  -6.356  13.508
   16    HG2  PRO   3           2HG      PRO   3 -12.207  -7.023  13.153
   17    HG3  PRO   3           3HG      PRO   3 -11.037  -7.692  14.313
   18    HD2  PRO   3           2HD      PRO   3 -12.798  -5.750  15.012
   19    HD3  PRO   3           3HD      PRO   3 -11.165  -5.829  15.712
   20    H    GLU   4           H        GLU   4 -12.869  -3.606  12.513
   21    HA   GLU   4           HA       GLU   4 -12.895  -3.782   9.598
   22    HB2  GLU   4           2HB      GLU   4 -15.003  -2.790  11.561
   23    HB3  GLU   4           3HB      GLU   4 -15.241  -2.972   9.820
   24    HG2  GLU   4           2HG      GLU   4 -14.879  -5.406  10.007
   25    HG3  GLU   4           3HG      GLU   4 -14.570  -5.242  11.734
   26    H    ASP   5           H        ASP   5 -12.382  -1.455  12.155
   27    HA   ASP   5           HA       ASP   5 -12.602   0.955  10.696
   28    HB2  ASP   5           2HB      ASP   5 -10.836   0.274  13.093
   29    HB3  ASP   5           3HB      ASP   5 -11.045   1.906  12.466
   30    HA   PRO   6           HA       PRO   6  -9.436   0.618   7.651
   31    HB2  PRO   6           2HB      PRO   6  -8.579   3.279   7.440
   32    HB3  PRO   6           3HB      PRO   6 -10.030   2.615   6.680
   33    HG2  PRO   6           2HG      PRO   6  -9.769   4.094   9.302
   34    HG3  PRO   6           3HG      PRO   6 -10.973   4.316   8.010
   35    HD2  PRO   6           2HD      PRO   6 -11.612   2.949  10.203
   36    HD3  PRO   6           3HD      PRO   6 -12.148   2.354   8.613
   37    H    PHE   7           H        PHE   7  -8.288   2.855  10.240
   38    HA   PHE   7           HA       PHE   7  -5.544   2.300   9.885
   39    HB2  PHE   7           2HB      PHE   7  -6.407   4.351  11.000
   40    HB3  PHE   7           3HB      PHE   7  -6.924   3.384  12.374
   41    HD1  PHE   7           HD1      PHE   7  -3.881   4.335  10.404
   42    HD2  PHE   7           HD2      PHE   7  -5.393   3.001  14.182
   43    HE1  PHE   7           HE1      PHE   7  -1.653   4.621  11.405
   44    HE2  PHE   7           HE2      PHE   7  -3.159   3.299  15.172
   45    HZ   PHE   7           HZ       PHE   7  -1.289   4.104  13.784
   46    H    THR   8           H        THR   8  -8.000   0.740  11.914
   47    HA   THR   8           HA       THR   8  -6.206  -0.608  13.673
   48    HB   THR   8           HB       THR   8  -9.061  -1.471  13.013
   49    HG1  THR   8           HG1      THR   8  -9.716  -0.019  14.544
   50   HG21  THR   8          3HG2      THR   8  -7.775  -3.122  14.360
   51   HG22  THR   8          1HG2      THR   8  -9.045  -2.371  15.328
   52   HG23  THR   8          2HG2      THR   8  -7.366  -1.858  15.522
   53    H    ARG   9           H        ARG   9  -7.949  -1.645  10.735
   54    HA   ARG   9           HA       ARG   9  -6.907  -4.336  10.714
   55    HB2  ARG   9           2HB      ARG   9  -8.128  -4.606   8.636
   56    HB3  ARG   9           3HB      ARG   9  -9.130  -3.765   9.809
   57    HG2  ARG   9           2HG      ARG   9  -8.367  -1.590   8.628
   58    HG3  ARG   9           3HG      ARG   9  -7.808  -2.651   7.334
   59    HD2  ARG   9           2HD      ARG   9 -10.647  -2.328   8.352
   60    HD3  ARG   9           3HD      ARG   9 -10.016  -1.850   6.773
   61    HE   ARG   9           HE       ARG   9  -9.881  -4.684   7.469
   62   HH11  ARG   9          1HH1      ARG   9 -11.504  -2.203   5.592
   63   HH12  ARG   9          2HH1      ARG   9 -12.415  -3.354   4.665
   64   HH21  ARG   9          1HH2      ARG   9 -11.060  -6.146   6.264
   65   HH22  ARG   9          2HH2      ARG   9 -12.157  -5.575   5.045
   66    H    TYR  10           H        TYR  10  -6.005  -1.289   9.279
   67    HA   TYR  10           HA       TYR  10  -3.998  -2.132   7.474
   68    HB2  TYR  10           2HB      TYR  10  -4.614   0.110   7.215
   69    HB3  TYR  10           3HB      TYR  10  -4.684   0.410   8.940
   70    HD1  TYR  10           HD2      TYR  10  -2.318   0.077   6.053
   71    HD2  TYR  10           HD1      TYR  10  -2.823   1.377  10.101
   72    HE1  TYR  10           HE2      TYR  10  -0.156   1.235   5.961
   73    HE2  TYR  10           HE1      TYR  10  -0.661   2.526   9.998
   74    HH   TYR  10           HH       TYR  10   1.421   2.415   8.727
   75    H    ALA  11           H        ALA  11  -3.828  -1.096  10.863
   76    HA   ALA  11           HA       ALA  11  -1.096  -1.610  11.341
   77    HB1  ALA  11           3HB      ALA  11  -2.467  -0.125  12.756
   78    HB2  ALA  11           1HB      ALA  11  -1.698  -1.385  13.724
   79    HB3  ALA  11           2HB      ALA  11  -3.409  -1.509  13.308
   80    H    LEU  12           H        LEU  12  -4.007  -3.582  11.625
   81    HA   LEU  12           HA       LEU  12  -2.854  -5.865  12.875
   82    HB2  LEU  12           2HB      LEU  12  -5.276  -5.373  12.948
   83    HB3  LEU  12           3HB      LEU  12  -5.384  -5.604  11.212
   84    HG   LEU  12           HG       LEU  12  -4.773  -8.019  11.516
   85   HD11  LEU  12          1HD1      LEU  12  -4.942  -7.420  14.487
   86   HD12  LEU  12          2HD1      LEU  12  -3.497  -7.899  13.593
   87   HD13  LEU  12          3HD1      LEU  12  -4.836  -9.030  13.767
   88   HD21  LEU  12          3HD2      LEU  12  -7.132  -7.384  11.346
   89   HD22  LEU  12          1HD2      LEU  12  -7.207  -7.118  13.092
   90   HD23  LEU  12          2HD2      LEU  12  -6.930  -8.739  12.453
   91    H    ALA  13           H        ALA  13  -3.339  -4.857   9.532
   92    HA   ALA  13           HA       ALA  13  -2.564  -7.249   8.230
   93    HB1  ALA  13           3HB      ALA  13  -2.381  -4.395   7.221
   94    HB2  ALA  13           1HB      ALA  13  -3.774  -5.465   7.062
   95    HB3  ALA  13           2HB      ALA  13  -2.269  -5.853   6.228
   96    H    GLN  14           H        GLN  14  -0.763  -4.402   9.353
   97    HA   GLN  14           HA       GLN  14   1.818  -5.178   8.524
   98    HB2  GLN  14           2HB      GLN  14   1.023  -3.534  10.964
   99    HB3  GLN  14           3HB      GLN  14   2.648  -3.624  10.286
  100    HG2  GLN  14           2HG      GLN  14   1.789  -2.606   8.175
  101    HG3  GLN  14           3HG      GLN  14   0.198  -2.466   8.918
  102   HE21  GLN  14          1HE2      GLN  14   3.492  -1.265   8.951
  103   HE22  GLN  14          2HE2      GLN  14   3.166   0.177   9.850
  104    H    GLU  15           H        GLU  15  -0.093  -6.026  11.412
  105    HA   GLU  15           HA       GLU  15   1.930  -7.509  12.764
  106    HB2  GLU  15           2HB      GLU  15  -1.087  -7.850  12.984
  107    HB3  GLU  15           3HB      GLU  15   0.106  -8.463  14.125
  108    HG2  GLU  15           2HG      GLU  15  -0.582  -5.563  13.585
  109    HG3  GLU  15           3HG      GLU  15  -0.969  -6.493  15.026
  110    H    HIS  16           H        HIS  16  -0.597  -8.480  10.429
  111    HA   HIS  16           HA       HIS  16  -0.094 -11.247  10.368
  112    HB2  HIS  16           2HB      HIS  16  -1.270  -9.366   8.294
  113    HB3  HIS  16           3HB      HIS  16  -1.039 -11.075   7.932
  114    HD1  HIS  16           HD1      HIS  16  -2.442 -12.782   9.395
  115    HD2  HIS  16           HD2      HIS  16  -3.570  -8.807   9.774
  116    HE1  HIS  16           HE1      HIS  16  -4.727 -12.827  10.415
  117    HE2  HIS  16           HE2      HIS  16  -5.350 -10.412  10.725
  118    H    LEU  17           H        LEU  17   1.424  -8.579   8.559
  119    HA   LEU  17           HA       LEU  17   3.194 -10.030   6.926
  120    HB2  LEU  17           2HB      LEU  17   3.526  -7.313   8.251
  121    HB3  LEU  17           3HB      LEU  17   4.655  -7.942   7.061
  122    HG   LEU  17           HG       LEU  17   1.709  -7.395   6.514
  123   HD11  LEU  17          1HD1      LEU  17   2.451  -5.449   5.218
  124   HD12  LEU  17          2HD1      LEU  17   4.122  -5.740   5.711
  125   HD13  LEU  17          3HD1      LEU  17   2.911  -5.288   6.914
  126   HD21  LEU  17          3HD2      LEU  17   2.339  -7.701   4.144
  127   HD22  LEU  17          1HD2      LEU  17   2.597  -9.167   5.087
  128   HD23  LEU  17          2HD2      LEU  17   3.972  -8.154   4.638
  129    H    LYS  18           H        LYS  18   3.509  -8.897  10.254
  130    HA   LYS  18           HA       LYS  18   6.195  -9.723  10.709
  131    HB2  LYS  18           2HB      LYS  18   3.943  -9.010  12.627
  132    HB3  LYS  18           3HB      LYS  18   5.623  -9.229  13.120
  133    HG2  LYS  18           2HG      LYS  18   6.342  -7.307  11.874
  134    HG3  LYS  18           3HG      LYS  18   4.807  -7.202  11.012
  135    HD2  LYS  18           2HD      LYS  18   3.682  -6.619  13.178
  136    HD3  LYS  18           3HD      LYS  18   5.267  -6.611  13.961
  137    HE2  LYS  18           2HE      LYS  18   5.997  -4.782  12.479
  138    HE3  LYS  18           3HE      LYS  18   4.443  -4.818  11.643
  139    HZ1  LYS  18           3HZ      LYS  18   4.852  -4.140  14.498
  140    HZ2  LYS  18           1HZ      LYS  18   3.372  -4.158  13.689
  141    HZ3  LYS  18           2HZ      LYS  18   4.549  -3.037  13.251
  142    H    HIS  19           H        HIS  19   3.070 -11.321  11.099
  143    HA   HIS  19           HA       HIS  19   4.215 -13.679  12.397
  144    HB2  HIS  19           2HB      HIS  19   1.400 -12.985  11.498
  145    HB3  HIS  19           3HB      HIS  19   1.815 -14.564  12.160
  146    HD1  HIS  19           HD1      HIS  19   3.377 -14.020  14.593
  147    HD2  HIS  19           HD2      HIS  19   0.214 -11.566  13.493
  148    HE1  HIS  19           HE1      HIS  19   2.613 -12.916  16.706
  149    HE2  HIS  19           HE2      HIS  19   0.811 -11.324  15.986
  150    H    ASP  20           H        ASP  20   4.542 -12.669   9.374
  151    HA   ASP  20           HA       ASP  20   5.183 -13.599   7.432
  152    HB2  ASP  20           2HB      ASP  20   6.438 -15.226   8.838
  153    HB3  ASP  20           3HB      ASP  20   5.021 -16.261   8.912
  154    H    ASN  21           H        ASN  21   2.185 -13.762   8.589
  155    HA   ASN  21           HA       ASN  21   0.864 -15.252   6.448
  156    HB2  ASN  21           2HB      ASN  21  -0.226 -13.560   8.740
  157    HB3  ASN  21           3HB      ASN  21  -1.247 -14.370   7.557
  158   HD21  ASN  21          1HD2      ASN  21  -1.311 -16.680   7.562
  159   HD22  ASN  21          2HD2      ASN  21  -0.851 -17.581   8.966
  160    H    ALA  22           H        ALA  22   2.394 -13.629   5.205
  161    HA   ALA  22           HA       ALA  22   1.672 -10.974   4.698
  162    HB1  ALA  22           3HB      ALA  22   3.073 -12.940   2.856
  163    HB2  ALA  22           1HB      ALA  22   3.851 -11.933   4.079
  164    HB3  ALA  22           2HB      ALA  22   3.072 -11.185   2.686
  165    H    SER  23           H        SER  23   0.563 -14.005   3.273
  166    HA   SER  23           HA       SER  23  -1.034 -13.103   1.193
  167    HB2  SER  23           2HB      SER  23  -1.579 -15.488   3.006
  168    HB3  SER  23           3HB      SER  23  -2.165 -15.268   1.352
  169    HG   SER  23           HG       SER  23  -0.079 -16.539   1.907
  170    H    ARG  24           H        ARG  24  -1.864 -13.430   4.661
  171    HA   ARG  24           HA       ARG  24  -4.640 -12.769   4.347
  172    HB2  ARG  24           2HB      ARG  24  -2.925 -12.681   6.868
  173    HB3  ARG  24           3HB      ARG  24  -4.685 -12.704   6.808
  174    HG2  ARG  24           2HG      ARG  24  -2.812 -14.950   6.006
  175    HG3  ARG  24           3HG      ARG  24  -3.846 -14.892   7.434
  176    HD2  ARG  24           2HD      ARG  24  -5.843 -14.972   6.035
  177    HD3  ARG  24           3HD      ARG  24  -4.862 -14.909   4.565
  178    HE   ARG  24           HE       ARG  24  -4.598 -17.146   6.479
  179   HH11  ARG  24          1HH1      ARG  24  -5.287 -16.046   3.226
  180   HH12  ARG  24          2HH1      ARG  24  -5.364 -17.650   2.567
  181   HH21  ARG  24          1HH2      ARG  24  -4.696 -19.245   5.624
  182   HH22  ARG  24          2HH2      ARG  24  -5.021 -19.477   3.934
  183    H    ALA  25           H        ALA  25  -1.693 -11.028   5.178
  184    HA   ALA  25           HA       ALA  25  -2.779  -8.481   5.804
  185    HB1  ALA  25           3HB      ALA  25  -0.495  -9.163   6.409
  186    HB2  ALA  25           1HB      ALA  25  -0.476  -7.673   5.462
  187    HB3  ALA  25           2HB      ALA  25  -0.043  -9.212   4.706
  188    H    LEU  26           H        LEU  26  -1.866 -10.085   2.829
  189    HA   LEU  26           HA       LEU  26  -1.768  -7.901   1.048
  190    HB2  LEU  26           2HB      LEU  26  -0.826 -10.191   0.621
  191    HB3  LEU  26           3HB      LEU  26  -2.462 -10.802   0.452
  192    HG   LEU  26           HG       LEU  26  -2.751  -9.240  -1.533
  193   HD11  LEU  26          1HD1      LEU  26  -0.988  -7.615  -1.034
  194   HD12  LEU  26          2HD1      LEU  26  -0.731  -8.341  -2.619
  195   HD13  LEU  26          3HD1      LEU  26   0.243  -8.862  -1.244
  196   HD21  LEU  26          3HD2      LEU  26  -0.564 -11.332  -1.738
  197   HD22  LEU  26          1HD2      LEU  26  -1.481 -10.666  -3.090
  198   HD23  LEU  26          2HD2      LEU  26  -2.300 -11.624  -1.861
  199    H    ALA  27           H        ALA  27  -4.298 -10.315   1.665
  200    HA   ALA  27           HA       ALA  27  -6.382  -9.265   0.169
  201    HB1  ALA  27           3HB      ALA  27  -7.862 -10.603   1.600
  202    HB2  ALA  27           1HB      ALA  27  -6.569 -10.781   2.791
  203    HB3  ALA  27           2HB      ALA  27  -6.401 -11.501   1.187
  204    H    LEU  28           H        LEU  28  -5.481  -8.484   3.549
  205    HA   LEU  28           HA       LEU  28  -7.598  -6.761   4.176
  206    HB2  LEU  28           2HB      LEU  28  -4.753  -6.900   5.212
  207    HB3  LEU  28           3HB      LEU  28  -5.883  -5.701   5.823
  208    HG   LEU  28           HG       LEU  28  -6.246  -8.724   6.026
  209   HD11  LEU  28          1HD1      LEU  28  -5.939  -8.404   8.451
  210   HD12  LEU  28          2HD1      LEU  28  -5.606  -6.690   8.184
  211   HD13  LEU  28          3HD1      LEU  28  -4.504  -7.913   7.547
  212   HD21  LEU  28          3HD2      LEU  28  -7.999  -6.487   7.111
  213   HD22  LEU  28          1HD2      LEU  28  -8.205  -8.212   7.433
  214   HD23  LEU  28          2HD2      LEU  28  -8.419  -7.593   5.799
  215    H    PHE  29           H        PHE  29  -4.395  -5.946   2.800
  216    HA   PHE  29           HA       PHE  29  -4.860  -3.140   2.686
  217    HB2  PHE  29           2HB      PHE  29  -2.797  -4.914   1.340
  218    HB3  PHE  29           3HB      PHE  29  -2.839  -3.175   1.115
  219    HD1  PHE  29           HD2      PHE  29  -3.241  -2.032   3.740
  220    HD2  PHE  29           HD1      PHE  29  -0.922  -5.468   2.658
  221    HE1  PHE  29           HE2      PHE  29  -1.794  -1.690   5.703
  222    HE2  PHE  29           HE1      PHE  29   0.516  -5.109   4.622
  223    HZ   PHE  29           HZ       PHE  29   0.085  -3.222   6.147
  224    H    GLU  30           H        GLU  30  -5.094  -5.725   0.212
  225    HA   GLU  30           HA       GLU  30  -5.818  -4.152  -1.985
  226    HB2  GLU  30           2HB      GLU  30  -6.517  -7.043  -1.340
  227    HB3  GLU  30           3HB      GLU  30  -6.856  -6.286  -2.895
  228    HG2  GLU  30           2HG      GLU  30  -4.437  -5.885  -3.228
  229    HG3  GLU  30           3HG      GLU  30  -4.097  -6.653  -1.679
  230    H    GLU  31           H        GLU  31  -7.860  -5.527   0.598
  231    HA   GLU  31           HA       GLU  31 -10.331  -4.674  -0.552
  232    HB2  GLU  31           2HB      GLU  31 -10.098  -6.455   1.291
  233    HB3  GLU  31           3HB      GLU  31  -9.917  -5.120   2.430
  234    HG2  GLU  31           2HG      GLU  31 -12.125  -4.213   1.589
  235    HG3  GLU  31           3HG      GLU  31 -12.318  -5.690   0.650
  236    H    LEU  32           H        LEU  32  -8.071  -3.272   1.769
  237    HA   LEU  32           HA       LEU  32  -9.467  -1.002   2.567
  238    HB2  LEU  32           2HB      LEU  32  -6.551  -1.697   2.380
  239    HB3  LEU  32           3HB      LEU  32  -6.977  -0.033   2.726
  240    HG   LEU  32           HG       LEU  32  -7.921  -2.370   4.432
  241   HD11  LEU  32          1HD1      LEU  32  -6.189  -1.714   6.060
  242   HD12  LEU  32          2HD1      LEU  32  -5.560  -0.524   4.917
  243   HD13  LEU  32          3HD1      LEU  32  -5.467  -2.246   4.540
  244   HD21  LEU  32          3HD2      LEU  32  -7.918   0.632   4.918
  245   HD22  LEU  32          1HD2      LEU  32  -8.437  -0.599   6.072
  246   HD23  LEU  32          2HD2      LEU  32  -9.337  -0.364   4.577
  247    H    VAL  33           H        VAL  33  -7.516  -1.520  -0.371
  248    HA   VAL  33           HA       VAL  33  -7.680   1.118  -1.380
  249    HB   VAL  33           HB       VAL  33  -7.329  -1.528  -2.873
  250   HG11  VAL  33          1HG1      VAL  33  -6.408  -0.151  -4.761
  251   HG12  VAL  33          2HG1      VAL  33  -6.926   1.310  -3.912
  252   HG13  VAL  33          3HG1      VAL  33  -8.123   0.144  -4.471
  253   HG21  VAL  33          3HG2      VAL  33  -4.930  -0.916  -2.930
  254   HG22  VAL  33          1HG2      VAL  33  -5.521  -1.065  -1.274
  255   HG23  VAL  33          2HG2      VAL  33  -5.274   0.534  -1.984
  256    H    GLU  34           H        GLU  34  -9.618  -1.820  -2.193
  257    HA   GLU  34           HA       GLU  34 -11.240  -0.522  -4.107
  258    HB2  GLU  34           2HB      GLU  34 -12.565  -2.531  -4.215
  259    HB3  GLU  34           3HB      GLU  34 -10.878  -2.989  -4.024
  260    HG2  GLU  34           2HG      GLU  34 -11.295  -3.388  -1.601
  261    HG3  GLU  34           3HG      GLU  34 -12.998  -3.017  -1.850
  262    H    THR  35           H        THR  35 -11.729  -0.949  -0.596
  263    HA   THR  35           HA       THR  35 -14.441   0.061  -0.684
  264    HB   THR  35           HB       THR  35 -14.349  -0.218   1.815
  265    HG1  THR  35           HG1      THR  35 -12.197   0.062   2.301
  266   HG21  THR  35          3HG2      THR  35 -13.437  -2.678   0.259
  267   HG22  THR  35          1HG2      THR  35 -15.105  -2.111   0.416
  268   HG23  THR  35          2HG2      THR  35 -14.232  -2.687   1.834
  269    H    ASP  36           H        ASP  36 -11.208   1.177   0.311
  270    HA   ASP  36           HA       ASP  36 -12.256   3.920   0.778
  271    HB2  ASP  36           2HB      ASP  36 -10.182   2.496   2.521
  272    HB3  ASP  36           3HB      ASP  36 -10.628   4.193   2.663
  273    HA   PRO  37           HA       PRO  37  -8.732   3.835  -2.295
  274    HB2  PRO  37           2HB      PRO  37 -10.249   5.911  -3.764
  275    HB3  PRO  37           3HB      PRO  37  -9.668   4.343  -4.331
  276    HG2  PRO  37           2HG      PRO  37 -12.321   4.855  -3.905
  277    HG3  PRO  37           3HG      PRO  37 -11.607   3.240  -3.717
  278    HD2  PRO  37           2HD      PRO  37 -12.332   5.257  -1.596
  279    HD3  PRO  37           3HD      PRO  37 -12.545   3.490  -1.594
  280    H    ASP  38           H        ASP  38 -10.323   6.211  -0.412
  281    HA   ASP  38           HA       ASP  38  -8.649   8.452  -0.748
  282    HB2  ASP  38           2HB      ASP  38 -10.894   8.627   0.200
  283    HB3  ASP  38           3HB      ASP  38 -10.473   7.541   1.518
  284    H    TYR  39           H        TYR  39  -8.473   5.601   1.422
  285    HA   TYR  39           HA       TYR  39  -6.585   6.744   3.224
  286    HB2  TYR  39           2HB      TYR  39  -8.143   4.832   3.802
  287    HB3  TYR  39           3HB      TYR  39  -7.114   3.766   2.846
  288    HD1  TYR  39           HD1      TYR  39  -6.200   6.521   5.249
  289    HD2  TYR  39           HD2      TYR  39  -6.039   2.332   4.440
  290    HE1  TYR  39           HE1      TYR  39  -4.764   6.197   7.205
  291    HE2  TYR  39           HE2      TYR  39  -4.599   2.014   6.401
  292    HH   TYR  39           HH       TYR  39  -4.177   4.344   8.780
  293    H    VAL  40           H        VAL  40  -4.767   7.437   2.430
  294    HA   VAL  40           HA       VAL  40  -3.378   6.403   0.170
  295    HB   VAL  40           HB       VAL  40  -2.264   8.349   2.248
  296   HG11  VAL  40          1HG1      VAL  40  -0.610   7.550   0.641
  297   HG12  VAL  40          2HG1      VAL  40  -0.976   9.248   0.344
  298   HG13  VAL  40          3HG1      VAL  40  -1.658   8.006  -0.707
  299   HG21  VAL  40          3HG2      VAL  40  -4.001   9.055  -0.150
  300   HG22  VAL  40          1HG2      VAL  40  -3.188  10.204   0.914
  301   HG23  VAL  40          2HG2      VAL  40  -4.478   9.178   1.547
  302    H    GLY  41           H        GLY  41  -3.081   5.984   3.645
  303    HA2  GLY  41           2HA      GLY  41  -0.440   5.085   3.934
  304    HA3  GLY  41           3HA      GLY  41  -1.770   4.705   5.013
  305    H    THR  42           H        THR  42  -3.345   3.316   3.005
  306    HA   THR  42           HA       THR  42  -2.429   0.684   3.151
  307    HB   THR  42           HB       THR  42  -4.379   1.979   1.193
  308    HG1  THR  42           HG1      THR  42  -5.875   1.438   2.676
  309   HG21  THR  42          3HG2      THR  42  -5.249  -0.314   0.820
  310   HG22  THR  42          1HG2      THR  42  -3.925  -0.975   1.784
  311   HG23  THR  42          2HG2      THR  42  -3.588  -0.158   0.255
  312    H    TYR  43           H        TYR  43  -2.218   3.030   0.452
  313    HA   TYR  43           HA       TYR  43  -1.537   1.225  -1.558
  314    HB2  TYR  43           2HB      TYR  43  -1.084   4.216  -1.346
  315    HB3  TYR  43           3HB      TYR  43  -0.757   3.301  -2.817
  316    HD1  TYR  43           HD1      TYR  43  -2.659   2.079  -3.965
  317    HD2  TYR  43           HD2      TYR  43  -3.369   4.885  -0.825
  318    HE1  TYR  43           HE1      TYR  43  -4.979   2.312  -4.697
  319    HE2  TYR  43           HE2      TYR  43  -5.697   5.113  -1.573
  320    HH   TYR  43           HH       TYR  43  -6.999   4.783  -3.617
  321    H    TYR  44           H        TYR  44   0.638   3.336   0.330
  322    HA   TYR  44           HA       TYR  44   3.078   2.573  -0.652
  323    HB2  TYR  44           2HB      TYR  44   2.657   4.371   1.032
  324    HB3  TYR  44           3HB      TYR  44   2.394   3.141   2.267
  325    HD1  TYR  44           HD2      TYR  44   4.995   4.278  -0.216
  326    HD2  TYR  44           HD1      TYR  44   4.257   2.464   3.588
  327    HE1  TYR  44           HE2      TYR  44   7.409   4.276   0.264
  328    HE2  TYR  44           HE1      TYR  44   6.659   2.461   4.052
  329    HH   TYR  44           HH       TYR  44   8.876   4.250   2.333
  330    H    HIS  45           H        HIS  45   1.481   1.110   2.172
  331    HA   HIS  45           HA       HIS  45   3.435  -0.901   2.600
  332    HB2  HIS  45           2HB      HIS  45   0.600  -0.629   3.669
  333    HB3  HIS  45           3HB      HIS  45   1.738  -1.854   4.228
  334    HD1  HIS  45           HD1      HIS  45   2.962  -1.178   6.270
  335    HD2  HIS  45           HD2      HIS  45   1.848   2.117   4.017
  336    HE1  HIS  45           HE1      HIS  45   3.746   0.813   7.561
  337    HE2  HIS  45           HE2      HIS  45   2.831   2.781   6.300
  338    H    LEU  46           H        LEU  46   0.478  -0.949   0.704
  339    HA   LEU  46           HA       LEU  46   0.342  -3.785   0.327
  340    HB2  LEU  46           2HB      LEU  46  -1.665  -2.408   0.041
  341    HB3  LEU  46           3HB      LEU  46  -0.903  -1.511  -1.256
  342    HG   LEU  46           HG       LEU  46  -0.929  -3.494  -2.713
  343   HD11  LEU  46          1HD1      LEU  46  -0.629  -5.271  -1.037
  344   HD12  LEU  46          2HD1      LEU  46  -1.999  -5.601  -2.093
  345   HD13  LEU  46          3HD1      LEU  46  -2.275  -5.008  -0.455
  346   HD21  LEU  46          3HD2      LEU  46  -2.901  -2.052  -2.768
  347   HD22  LEU  46          1HD2      LEU  46  -3.650  -2.993  -1.474
  348   HD23  LEU  46          2HD2      LEU  46  -3.351  -3.732  -3.050
  349    H    GLY  47           H        GLY  47   1.749  -1.044  -1.446
  350    HA2  GLY  47           2HA      GLY  47   2.552  -2.499  -3.757
  351    HA3  GLY  47           3HA      GLY  47   3.135  -0.922  -3.250
  352    H    LYS  48           H        LYS  48   4.129  -1.662  -0.679
  353    HA   LYS  48           HA       LYS  48   6.733  -2.581  -1.283
  354    HB2  LYS  48           2HB      LYS  48   5.336  -2.460   1.427
  355    HB3  LYS  48           3HB      LYS  48   7.067  -2.679   1.193
  356    HG2  LYS  48           2HG      LYS  48   5.484  -0.210   0.410
  357    HG3  LYS  48           3HG      LYS  48   6.465  -0.366   1.859
  358    HD2  LYS  48           2HD      LYS  48   7.685  -0.674  -0.911
  359    HD3  LYS  48           3HD      LYS  48   7.442   0.915  -0.189
  360    HE2  LYS  48           2HE      LYS  48   9.733   0.142   0.177
  361    HE3  LYS  48           3HE      LYS  48   8.877   0.296   1.706
  362    HZ1  LYS  48           3HZ      LYS  48   8.603  -2.062   1.780
  363    HZ2  LYS  48           1HZ      LYS  48  10.233  -1.696   1.563
  364    HZ3  LYS  48           2HZ      LYS  48   9.316  -2.251   0.263
  365    H    LEU  49           H        LEU  49   3.869  -4.139   0.060
  366    HA   LEU  49           HA       LEU  49   4.982  -6.701   0.573
  367    HB2  LEU  49           2HB      LEU  49   2.977  -5.944   1.693
  368    HB3  LEU  49           3HB      LEU  49   2.125  -5.773   0.168
  369    HG   LEU  49           HG       LEU  49   1.998  -8.190  -0.122
  370   HD11  LEU  49          1HD1      LEU  49   4.182  -8.869   0.755
  371   HD12  LEU  49          2HD1      LEU  49   2.894  -9.789   1.526
  372   HD13  LEU  49          3HD1      LEU  49   3.673  -8.467   2.397
  373   HD21  LEU  49          3HD2      LEU  49   1.253  -7.427   2.727
  374   HD22  LEU  49          1HD2      LEU  49   0.610  -8.798   1.816
  375   HD23  LEU  49          2HD2      LEU  49   0.267  -7.153   1.286
  376    H    TYR  50           H        TYR  50   3.252  -5.343  -2.222
  377    HA   TYR  50           HA       TYR  50   3.175  -7.578  -3.885
  378    HB2  TYR  50           2HB      TYR  50   3.275  -4.611  -4.430
  379    HB3  TYR  50           3HB      TYR  50   3.418  -5.724  -5.783
  380    HD1  TYR  50           HD2      TYR  50   1.463  -7.866  -4.906
  381    HD2  TYR  50           HD1      TYR  50   1.153  -3.602  -4.858
  382    HE1  TYR  50           HE2      TYR  50  -0.977  -8.037  -5.130
  383    HE2  TYR  50           HE1      TYR  50  -1.278  -3.786  -5.089
  384    HH   TYR  50           HH       TYR  50  -2.955  -6.700  -4.680
  385    H    GLU  51           H        GLU  51   5.780  -5.142  -3.549
  386    HA   GLU  51           HA       GLU  51   7.571  -6.134  -5.458
  387    HB2  GLU  51           2HB      GLU  51   8.171  -4.702  -2.840
  388    HB3  GLU  51           3HB      GLU  51   9.343  -4.942  -4.137
  389    HG2  GLU  51           2HG      GLU  51   7.965  -3.579  -5.651
  390    HG3  GLU  51           3HG      GLU  51   6.765  -3.358  -4.381
  391    H    ARG  52           H        ARG  52   7.071  -7.085  -2.086
  392    HA   ARG  52           HA       ARG  52   9.240  -8.877  -1.743
  393    HB2  ARG  52           2HB      ARG  52   6.470  -8.899  -0.465
  394    HB3  ARG  52           3HB      ARG  52   7.840  -9.852   0.105
  395    HG2  ARG  52           2HG      ARG  52   9.058  -7.821   0.693
  396    HG3  ARG  52           3HG      ARG  52   7.774  -6.819   0.012
  397    HD2  ARG  52           2HD      ARG  52   7.623  -6.908   2.463
  398    HD3  ARG  52           3HD      ARG  52   6.204  -7.645   1.717
  399    HE   ARG  52           HE       ARG  52   7.645  -9.816   2.102
  400   HH11  ARG  52          1HH1      ARG  52   7.276  -7.151   4.381
  401   HH12  ARG  52          2HH1      ARG  52   7.400  -8.188   5.765
  402   HH21  ARG  52          1HH2      ARG  52   7.789 -11.131   3.921
  403   HH22  ARG  52          2HH2      ARG  52   7.695 -10.435   5.506
  404    H    LEU  53           H        LEU  53   5.968  -9.295  -3.005
  405    HA   LEU  53           HA       LEU  53   6.209 -12.181  -3.340
  406    HB2  LEU  53           2HB      LEU  53   3.961 -10.264  -4.054
  407    HB3  LEU  53           3HB      LEU  53   3.850 -12.018  -4.084
  408    HG   LEU  53           HG       LEU  53   4.279 -10.325  -1.587
  409   HD11  LEU  53          1HD1      LEU  53   2.016 -10.067  -2.463
  410   HD12  LEU  53          2HD1      LEU  53   2.006 -10.980  -0.957
  411   HD13  LEU  53          3HD1      LEU  53   1.808 -11.820  -2.497
  412   HD21  LEU  53          3HD2      LEU  53   5.380 -12.507  -1.352
  413   HD22  LEU  53          1HD2      LEU  53   3.892 -13.333  -1.828
  414   HD23  LEU  53          2HD2      LEU  53   3.956 -12.415  -0.321
  415    H    ASP  54           H        ASP  54   7.710  -9.998  -5.056
  416    HA   ASP  54           HA       ASP  54   8.440  -9.640  -7.162
  417    HB2  ASP  54           2HB      ASP  54   7.386 -12.464  -7.618
  418    HB3  ASP  54           3HB      ASP  54   8.397 -11.596  -8.769
  419    H    ARG  55           H        ARG  55   5.547  -9.145  -6.443
  420    HA   ARG  55           HA       ARG  55   4.242  -8.929  -9.059
  421    HB2  ARG  55           2HB      ARG  55   3.218  -8.237  -6.262
  422    HB3  ARG  55           3HB      ARG  55   2.256  -8.217  -7.735
  423    HG2  ARG  55           2HG      ARG  55   3.457 -10.662  -6.393
  424    HG3  ARG  55           3HG      ARG  55   1.753 -10.199  -6.426
  425    HD2  ARG  55           2HD      ARG  55   3.458 -11.093  -8.773
  426    HD3  ARG  55           3HD      ARG  55   2.107 -11.966  -8.042
  427    HE   ARG  55           HE       ARG  55   1.553  -9.340  -9.203
  428   HH11  ARG  55          1HH1      ARG  55   1.214 -12.815  -9.528
  429   HH12  ARG  55          2HH1      ARG  55   0.139 -12.693 -10.879
  430   HH21  ARG  55          1HH2      ARG  55   0.133  -9.184 -10.923
  431   HH22  ARG  55          2HH2      ARG  55  -0.479 -10.623 -11.686
  432    H    THR  56           H        THR  56   6.471  -7.471  -9.022
  433    HA   THR  56           HA       THR  56   6.489  -4.930  -7.835
  434    HB   THR  56           HB       THR  56   7.950  -5.946 -10.307
  435    HG1  THR  56           HG1      THR  56   9.358  -6.780  -8.914
  436   HG21  THR  56          3HG2      THR  56   8.093  -3.489 -10.196
  437   HG22  THR  56          1HG2      THR  56   9.647  -4.222  -9.789
  438   HG23  THR  56          2HG2      THR  56   8.613  -3.583  -8.511
  439    H    ASP  57           H        ASP  57   5.195  -6.008 -10.967
  440    HA   ASP  57           HA       ASP  57   4.715  -3.443 -12.100
  441    HB2  ASP  57           2HB      ASP  57   4.718  -5.609 -13.382
  442    HB3  ASP  57           3HB      ASP  57   3.184  -6.031 -12.629
  443    H    ASP  58           H        ASP  58   2.765  -5.603 -10.122
  444    HA   ASP  58           HA       ASP  58   0.337  -4.133 -10.066
  445    HB2  ASP  58           2HB      ASP  58   1.418  -5.994  -7.898
  446    HB3  ASP  58           3HB      ASP  58  -0.268  -5.540  -8.143
  447    H    ALA  59           H        ALA  59   3.277  -4.095  -8.117
  448    HA   ALA  59           HA       ALA  59   2.531  -2.330  -6.065
  449    HB1  ALA  59           3HB      ALA  59   5.275  -2.735  -7.304
  450    HB2  ALA  59           1HB      ALA  59   4.578  -3.691  -5.996
  451    HB3  ALA  59           2HB      ALA  59   4.946  -1.986  -5.739
  452    H    ILE  60           H        ILE  60   4.061  -1.702  -9.239
  453    HA   ILE  60           HA       ILE  60   4.389   1.069  -9.131
  454    HB   ILE  60           HB       ILE  60   3.741  -0.677 -11.561
  455   HG12  ILE  60          2HG1      ILE  60   5.842  -1.331 -10.375
  456   HG13  ILE  60          3HG1      ILE  60   6.170  -0.709 -11.987
  457   HG21  ILE  60          1HG2      ILE  60   4.737   1.127 -12.958
  458   HG22  ILE  60          2HG2      ILE  60   4.857   2.153 -11.526
  459   HG23  ILE  60          3HG2      ILE  60   3.274   1.656 -12.125
  460   HD11  ILE  60          3HD1      ILE  60   6.529   0.795  -9.394
  461   HD12  ILE  60          1HD1      ILE  60   6.834   1.440 -11.009
  462   HD13  ILE  60          2HD1      ILE  60   7.798   0.099 -10.401
  463    H    ASP  61           H        ASP  61   1.591  -0.844 -10.131
  464    HA   ASP  61           HA       ASP  61  -0.108   1.250 -11.007
  465    HB2  ASP  61           2HB      ASP  61  -0.412  -1.180 -11.568
  466    HB3  ASP  61           3HB      ASP  61  -0.857  -1.499  -9.899
  467    H    THR  62           H        THR  62   0.219  -0.426  -7.883
  468    HA   THR  62           HA       THR  62  -1.901   0.830  -6.501
  469    HB   THR  62           HB       THR  62   0.596  -0.532  -5.389
  470    HG1  THR  62           HG1      THR  62  -1.991  -1.515  -6.054
  471   HG21  THR  62          3HG2      THR  62  -0.593   0.764  -3.638
  472   HG22  THR  62          1HG2      THR  62  -0.762  -0.973  -3.376
  473   HG23  THR  62          2HG2      THR  62  -2.101  -0.051  -4.059
  474    H    TYR  63           H        TYR  63   1.552   1.583  -6.731
  475    HA   TYR  63           HA       TYR  63   1.596   3.729  -4.877
  476    HB2  TYR  63           2HB      TYR  63   3.456   3.064  -7.183
  477    HB3  TYR  63           3HB      TYR  63   3.746   4.390  -6.058
  478    HD1  TYR  63           HD2      TYR  63   3.038   3.207  -3.450
  479    HD2  TYR  63           HD1      TYR  63   5.155   1.476  -6.727
  480    HE1  TYR  63           HE2      TYR  63   4.218   1.713  -1.907
  481    HE2  TYR  63           HE1      TYR  63   6.331  -0.013  -5.182
  482    HH   TYR  63           HH       TYR  63   5.436  -0.337  -1.919
  483    H    ALA  64           H        ALA  64   1.191   3.591  -8.407
  484    HA   ALA  64           HA       ALA  64   1.019   6.313  -8.986
  485    HB1  ALA  64           3HB      ALA  64   1.278   4.574 -10.688
  486    HB2  ALA  64           1HB      ALA  64  -0.104   5.608 -11.058
  487    HB3  ALA  64           2HB      ALA  64  -0.359   4.001 -10.373
  488    H    GLN  65           H        GLN  65  -1.588   4.021  -8.133
  489    HA   GLN  65           HA       GLN  65  -3.756   5.832  -8.123
  490    HB2  GLN  65           2HB      GLN  65  -3.282   3.249  -6.585
  491    HB3  GLN  65           3HB      GLN  65  -4.801   4.137  -6.500
  492    HG2  GLN  65           2HG      GLN  65  -3.608   2.970  -9.030
  493    HG3  GLN  65           3HG      GLN  65  -4.881   2.225  -8.066
  494   HE21  GLN  65          1HE2      GLN  65  -6.304   4.718  -7.520
  495   HE22  GLN  65          2HE2      GLN  65  -7.065   5.183  -8.989
  496    H    GLY  66           H        GLY  66  -1.452   4.862  -5.641
  497    HA2  GLY  66           2HA      GLY  66  -2.393   6.280  -3.432
  498    HA3  GLY  66           3HA      GLY  66  -0.726   5.806  -3.710
  499    H    ILE  67           H        ILE  67  -0.194   7.297  -6.017
  500    HA   ILE  67           HA       ILE  67   0.705   9.730  -5.011
  501    HB   ILE  67           HB       ILE  67   0.353   8.690  -7.852
  502   HG12  ILE  67          2HG1      ILE  67   2.898   9.213  -6.233
  503   HG13  ILE  67          3HG1      ILE  67   2.106   7.647  -6.354
  504   HG21  ILE  67          1HG2      ILE  67   1.663  11.336  -7.118
  505   HG22  ILE  67          2HG2      ILE  67   0.191  11.127  -8.063
  506   HG23  ILE  67          3HG2      ILE  67   1.732  10.571  -8.710
  507   HD11  ILE  67          3HD1      ILE  67   4.033   7.818  -7.811
  508   HD12  ILE  67          1HD1      ILE  67   3.308   9.189  -8.646
  509   HD13  ILE  67          2HD1      ILE  67   2.556   7.593  -8.747
  510    H    GLU  68           H        GLU  68  -2.135   9.011  -7.034
  511    HA   GLU  68           HA       GLU  68  -3.032  11.624  -7.543
  512    HB2  GLU  68           2HB      GLU  68  -4.712   9.094  -7.245
  513    HB3  GLU  68           3HB      GLU  68  -5.205  10.572  -8.074
  514    HG2  GLU  68           2HG      GLU  68  -3.450  10.225  -9.767
  515    HG3  GLU  68           3HG      GLU  68  -2.908   8.775  -8.924
  516    H    VAL  69           H        VAL  69  -3.833   9.358  -4.948
  517    HA   VAL  69           HA       VAL  69  -5.665  11.226  -3.662
  518    HB   VAL  69           HB       VAL  69  -6.064   9.482  -1.971
  519   HG11  VAL  69          1HG1      VAL  69  -7.128   7.816  -3.476
  520   HG12  VAL  69          2HG1      VAL  69  -6.215   8.463  -4.839
  521   HG13  VAL  69          3HG1      VAL  69  -7.413   9.469  -4.021
  522   HG21  VAL  69          3HG2      VAL  69  -4.036   7.800  -3.501
  523   HG22  VAL  69          1HG2      VAL  69  -5.070   7.234  -2.184
  524   HG23  VAL  69          2HG2      VAL  69  -3.828   8.445  -1.871
  525    H    ALA  70           H        ALA  70  -2.309  10.504  -3.446
  526    HA   ALA  70           HA       ALA  70  -1.868  11.358  -0.735
  527    HB1  ALA  70           3HB      ALA  70   0.113  11.139  -3.020
  528    HB2  ALA  70           1HB      ALA  70  -0.294   9.868  -1.867
  529    HB3  ALA  70           2HB      ALA  70   0.518  11.332  -1.311
  530    H    ARG  71           H        ARG  71  -1.426  12.902  -3.913
  531    HA   ARG  71           HA       ARG  71  -0.453  15.379  -2.898
  532    HB2  ARG  71           2HB      ARG  71  -0.790  16.241  -5.215
  533    HB3  ARG  71           3HB      ARG  71   0.135  14.749  -5.147
  534    HG2  ARG  71           2HG      ARG  71  -1.784  13.462  -5.909
  535    HG3  ARG  71           3HG      ARG  71  -2.809  14.897  -5.852
  536    HD2  ARG  71           2HD      ARG  71  -0.395  14.544  -7.663
  537    HD3  ARG  71           3HD      ARG  71  -2.081  14.336  -8.153
  538    HE   ARG  71           HE       ARG  71  -2.144  16.821  -7.180
  539   HH11  ARG  71          1HH1      ARG  71   0.144  15.375  -9.413
  540   HH12  ARG  71          2HH1      ARG  71   0.437  16.860 -10.257
  541   HH21  ARG  71          1HH2      ARG  71  -1.742  18.756  -8.271
  542   HH22  ARG  71          2HH2      ARG  71  -0.631  18.789  -9.604
  543    H    GLU  72           H        GLU  72  -3.714  14.228  -3.713
  544    HA   GLU  72           HA       GLU  72  -4.860  16.893  -3.292
  545    HB2  GLU  72           2HB      GLU  72  -6.311  14.285  -3.898
  546    HB3  GLU  72           3HB      GLU  72  -6.976  15.912  -3.993
  547    HG2  GLU  72           2HG      GLU  72  -4.842  14.713  -5.784
  548    HG3  GLU  72           3HG      GLU  72  -6.511  15.069  -6.221
  549    H    GLU  73           H        GLU  73  -5.266  13.631  -1.820
  550    HA   GLU  73           HA       GLU  73  -6.933  14.735   0.315
  551    HB2  GLU  73           2HB      GLU  73  -6.236  11.818  -0.195
  552    HB3  GLU  73           3HB      GLU  73  -7.549  12.431   0.806
  553    HG2  GLU  73           2HG      GLU  73  -7.326  12.605  -2.217
  554    HG3  GLU  73           3HG      GLU  73  -8.410  11.560  -1.297
  555    H    GLY  74           H        GLY  74  -3.878  12.943  -0.005
  556    HA2  GLY  74           2HA      GLY  74  -3.396  12.763   2.857
  557    HA3  GLY  74           3HA      GLY  74  -2.334  12.219   1.563
  558    H    THR  75           H        THR  75  -0.542  13.204   2.737
  559    HA   THR  75           HA       THR  75  -0.316  16.124   2.185
  560    HB   THR  75           HB       THR  75   1.504  16.149   3.903
  561    HG1  THR  75           HG1      THR  75   1.042  13.431   3.857
  562   HG21  THR  75          3HG2      THR  75  -1.145  15.095   4.971
  563   HG22  THR  75          1HG2      THR  75  -0.784  16.782   4.596
  564   HG23  THR  75          2HG2      THR  75   0.071  15.966   5.907
  565    H    GLN  76           H        GLN  76   2.078  16.780   1.888
  566    HA   GLN  76           HA       GLN  76   3.198  15.668  -0.428
  567    HB2  GLN  76           2HB      GLN  76   3.623  17.983   0.289
  568    HB3  GLN  76           3HB      GLN  76   4.481  17.417   1.716
  569    HG2  GLN  76           2HG      GLN  76   6.061  18.212   0.040
  570    HG3  GLN  76           3HG      GLN  76   6.265  16.481   0.288
  571   HE21  GLN  76          1HE2      GLN  76   5.224  18.954  -1.945
  572   HE22  GLN  76          2HE2      GLN  76   5.134  17.941  -3.341
  573    H    LYS  77           H        LYS  77   3.744  14.934   2.965
  574    HA   LYS  77           HA       LYS  77   6.026  13.348   2.906
  575    HB2  LYS  77           2HB      LYS  77   5.090  13.909   5.031
  576    HB3  LYS  77           3HB      LYS  77   3.515  13.247   4.609
  577    HG2  LYS  77           2HG      LYS  77   4.347  10.980   4.750
  578    HG3  LYS  77           3HG      LYS  77   6.002  11.548   4.967
  579    HD2  LYS  77           2HD      LYS  77   5.425  12.491   7.156
  580    HD3  LYS  77           3HD      LYS  77   3.731  12.041   6.930
  581    HE2  LYS  77           2HE      LYS  77   4.995  10.456   8.402
  582    HE3  LYS  77           3HE      LYS  77   4.285   9.680   6.986
  583    HZ1  LYS  77           3HZ      LYS  77   6.415   9.659   5.918
  584    HZ2  LYS  77           1HZ      LYS  77   6.583   8.968   7.447
  585    HZ3  LYS  77           2HZ      LYS  77   7.121  10.546   7.171
  586    H    ASP  78           H        ASP  78   2.641  12.373   2.402
  587    HA   ASP  78           HA       ASP  78   3.090   9.612   1.897
  588    HB2  ASP  78           2HB      ASP  78   0.781  11.420   1.040
  589    HB3  ASP  78           3HB      ASP  78   0.770   9.664   0.914
  590    H    LEU  79           H        LEU  79   2.706  12.445  -0.192
  591    HA   LEU  79           HA       LEU  79   2.555  11.192  -2.681
  592    HB2  LEU  79           2HB      LEU  79   1.958  13.563  -2.259
  593    HB3  LEU  79           3HB      LEU  79   3.657  13.957  -2.031
  594    HG   LEU  79           HG       LEU  79   4.102  13.347  -4.421
  595   HD11  LEU  79          1HD1      LEU  79   2.321  11.707  -4.758
  596   HD12  LEU  79          2HD1      LEU  79   2.218  12.982  -5.966
  597   HD13  LEU  79          3HD1      LEU  79   1.095  12.969  -4.604
  598   HD21  LEU  79          3HD2      LEU  79   3.654  15.690  -3.857
  599   HD22  LEU  79          1HD2      LEU  79   1.918  15.428  -4.048
  600   HD23  LEU  79          2HD2      LEU  79   2.993  15.304  -5.443
  601    H    SER  80           H        SER  80   5.390  12.569  -1.031
  602    HA   SER  80           HA       SER  80   7.302  12.059  -3.026
  603    HB2  SER  80           2HB      SER  80   7.683  12.425  -0.028
  604    HB3  SER  80           3HB      SER  80   8.967  12.517  -1.240
  605    HG   SER  80           HG       SER  80   6.735  14.234  -0.921
  606    H    GLU  81           H        GLU  81   6.252  10.123  -0.203
  607    HA   GLU  81           HA       GLU  81   8.235   8.095  -0.402
  608    HB2  GLU  81           2HB      GLU  81   5.486   8.111   0.884
  609    HB3  GLU  81           3HB      GLU  81   6.581   6.733   1.009
  610    HG2  GLU  81           2HG      GLU  81   8.270   8.228   2.084
  611    HG3  GLU  81           3HG      GLU  81   7.091   9.541   2.029
  612    H    LEU  82           H        LEU  82   5.006   8.372  -1.811
  613    HA   LEU  82           HA       LEU  82   4.893   5.685  -2.830
  614    HB2  LEU  82           2HB      LEU  82   3.268   8.180  -3.380
  615    HB3  LEU  82           3HB      LEU  82   2.888   6.618  -4.095
  616    HG   LEU  82           HG       LEU  82   3.085   6.948  -1.077
  617   HD11  LEU  82          1HD1      LEU  82   0.585   7.306  -2.722
  618   HD12  LEU  82          2HD1      LEU  82   1.431   8.571  -1.832
  619   HD13  LEU  82          3HD1      LEU  82   0.681   7.236  -0.964
  620   HD21  LEU  82          3HD2      LEU  82   3.145   4.647  -1.977
  621   HD22  LEU  82          1HD2      LEU  82   1.606   4.926  -2.796
  622   HD23  LEU  82          2HD2      LEU  82   1.689   4.942  -1.032
  623    H    GLN  83           H        GLN  83   5.700   8.835  -4.221
  624    HA   GLN  83           HA       GLN  83   6.174   7.987  -6.895
  625    HB2  GLN  83           2HB      GLN  83   7.283  10.379  -5.357
  626    HB3  GLN  83           3HB      GLN  83   7.452  10.148  -7.097
  627    HG2  GLN  83           2HG      GLN  83   5.025  10.291  -7.384
  628    HG3  GLN  83           3HG      GLN  83   4.803  10.427  -5.644
  629   HE21  GLN  83          1HE2      GLN  83   7.027  12.263  -5.239
  630   HE22  GLN  83          2HE2      GLN  83   6.537  13.778  -5.898
  631    H    ASP  84           H        ASP  84   8.159   8.171  -3.979
  632    HA   ASP  84           HA       ASP  84  10.679   7.555  -5.155
  633    HB2  ASP  84           2HB      ASP  84  10.524   8.658  -2.959
  634    HB3  ASP  84           3HB      ASP  84   9.711   7.252  -2.280
  635    H    ALA  85           H        ALA  85   8.180   5.614  -3.558
  636    HA   ALA  85           HA       ALA  85   9.689   3.229  -3.427
  637    HB1  ALA  85           3HB      ALA  85   7.614   2.183  -2.665
  638    HB2  ALA  85           1HB      ALA  85   6.694   3.607  -3.164
  639    HB3  ALA  85           2HB      ALA  85   7.869   3.729  -1.853
  640    H    LYS  86           H        LYS  86   7.278   4.453  -5.760
  641    HA   LYS  86           HA       LYS  86   7.378   2.116  -7.384
  642    HB2  LYS  86           2HB      LYS  86   6.206   3.321  -9.104
  643    HB3  LYS  86           3HB      LYS  86   5.494   3.694  -7.544
  644    HG2  LYS  86           2HG      LYS  86   6.441   5.887  -7.520
  645    HG3  LYS  86           3HG      LYS  86   7.474   5.530  -8.905
  646    HD2  LYS  86           2HD      LYS  86   4.435   5.684  -8.960
  647    HD3  LYS  86           3HD      LYS  86   5.538   6.935  -9.535
  648    HE2  LYS  86           2HE      LYS  86   6.457   5.229 -11.180
  649    HE3  LYS  86           3HE      LYS  86   5.138   4.157 -10.703
  650    HZ1  LYS  86           3HZ      LYS  86   4.840   6.861 -11.889
  651    HZ2  LYS  86           1HZ      LYS  86   3.569   5.842 -11.439
  652    HZ3  LYS  86           2HZ      LYS  86   4.609   5.396 -12.692
  653    H    LEU  87           H        LEU  87   9.385   5.137  -7.427
  654    HA   LEU  87           HA       LEU  87  10.414   4.590 -10.021
  655    HB2  LEU  87           2HB      LEU  87  12.152   6.304  -9.631
  656    HB3  LEU  87           3HB      LEU  87  10.518   6.843  -9.351
  657    HG   LEU  87           HG       LEU  87  10.995   6.622  -6.843
  658   HD11  LEU  87          1HD1      LEU  87  13.882   6.461  -7.753
  659   HD12  LEU  87          2HD1      LEU  87  12.992   5.219  -6.871
  660   HD13  LEU  87          3HD1      LEU  87  13.337   6.764  -6.102
  661   HD21  LEU  87          3HD2      LEU  87  12.597   8.670  -8.405
  662   HD22  LEU  87          1HD2      LEU  87  12.104   8.797  -6.715
  663   HD23  LEU  87          2HD2      LEU  87  10.885   8.790  -7.985
  664    H    LYS  88           H        LYS  88  11.515   3.578  -6.818
  665    HA   LYS  88           HA       LYS  88  13.875   2.258  -7.808
  666    HB2  LYS  88           2HB      LYS  88  13.939   1.082  -5.628
  667    HB3  LYS  88           3HB      LYS  88  13.777   2.823  -5.449
  668    HG2  LYS  88           2HG      LYS  88  11.463   2.634  -4.840
  669    HG3  LYS  88           3HG      LYS  88  11.424   0.920  -5.265
  670    HD2  LYS  88           2HD      LYS  88  12.951   0.399  -3.405
  671    HD3  LYS  88           3HD      LYS  88  13.080   2.115  -3.002
  672    HE2  LYS  88           2HE      LYS  88  11.494   0.817  -1.533
  673    HE3  LYS  88           3HE      LYS  88  10.771   2.212  -2.330
  674    HZ1  LYS  88           3HZ      LYS  88  10.507  -0.610  -3.226
  675    HZ2  LYS  88           1HZ      LYS  88   9.797   0.729  -3.972
  676    HZ3  LYS  88           2HZ      LYS  88   9.329   0.282  -2.415
  677    H    ALA  89           H        ALA  89  10.484   1.206  -7.246
  678    HA   ALA  89           HA       ALA  89  10.820  -1.504  -7.878
  679    HB1  ALA  89           3HB      ALA  89   8.830  -0.630  -6.764
  680    HB2  ALA  89           1HB      ALA  89   8.387  -1.537  -8.216
  681    HB3  ALA  89           2HB      ALA  89   8.368   0.229  -8.231
  682    H    GLU  90           H        GLU  90  10.357   1.285 -10.016
  683    HA   GLU  90           HA       GLU  90  10.007   0.129 -12.517
  684    HB2  GLU  90           2HB      GLU  90  11.718   2.560 -11.805
  685    HB3  GLU  90           3HB      GLU  90  11.172   2.164 -13.427
  686    HG2  GLU  90           2HG      GLU  90   9.181   2.652 -11.212
  687    HG3  GLU  90           3HG      GLU  90   9.933   4.001 -12.051
  688    H    GLY  91           H        GLY  91  12.852   0.216 -10.494
  689    HA2  GLY  91           2HA      GLY  91  14.670  -0.746 -12.615
  690    HA3  GLY  91           3HA      GLY  91  15.141  -0.027 -11.089
  691    H    LEU  92           H        LEU  92  12.787  -2.140 -10.174
  692    HA   LEU  92           HA       LEU  92  14.574  -4.136  -9.178
  693    HB2  LEU  92           2HB      LEU  92  11.543  -4.112  -9.401
  694    HB3  LEU  92           3HB      LEU  92  12.433  -5.420  -8.636
  695    HG   LEU  92           HG       LEU  92  12.314  -2.536  -7.676
  696   HD11  LEU  92          1HD1      LEU  92  11.096  -3.449  -5.741
  697   HD12  LEU  92          2HD1      LEU  92  11.142  -5.059  -6.461
  698   HD13  LEU  92          3HD1      LEU  92  10.234  -3.767  -7.247
  699   HD21  LEU  92          3HD2      LEU  92  14.523  -3.475  -7.198
  700   HD22  LEU  92          1HD2      LEU  92  13.782  -4.897  -6.461
  701   HD23  LEU  92          2HD2      LEU  92  13.590  -3.309  -5.713
  702    H    GLU  93           H        GLU  93  11.827  -4.555 -11.390
  703    HA   GLU  93           HA       GLU  93  12.872  -6.962 -12.571
  704    HB2  GLU  93           2HB      GLU  93  10.814  -6.814 -14.017
  705    HB3  GLU  93           3HB      GLU  93  10.487  -6.793 -12.288
  706    HG2  GLU  93           2HG      GLU  93  10.117  -4.373 -12.337
  707    HG3  GLU  93           3HG      GLU  93  10.554  -4.321 -14.047
  708    H    HIS  94           H        HIS  94  13.032  -3.566 -13.267
  709    HA   HIS  94           HA       HIS  94  13.879  -2.281 -14.928
  710    HB2  HIS  94           2HB      HIS  94  15.897  -3.751 -14.309
  711    HB3  HIS  94           3HB      HIS  94  15.544  -4.707 -15.736
  712    HD1  HIS  94           HD1      HIS  94  16.777  -1.307 -14.692
  713    HD2  HIS  94           HD2      HIS  94  16.470  -3.595 -18.146
  714    HE1  HIS  94           HE1      HIS  94  18.160  -0.123 -16.405
  715    HE2  HIS  94           HE2      HIS  94  17.977  -1.526 -18.481
  716    H    HIS  95           H        HIS  95  11.544  -4.018 -15.425
  717    HA   HIS  95           HA       HIS  95  11.431  -4.020 -18.382
  718    HB2  HIS  95           2HB      HIS  95  11.431  -6.335 -17.392
  719    HB3  HIS  95           3HB      HIS  95  10.031  -5.914 -16.417
  720    HD1  HIS  95           HD1      HIS  95   7.834  -6.519 -17.423
  721    HD2  HIS  95           HD2      HIS  95  10.790  -6.151 -20.323
  722    HE1  HIS  95           HE1      HIS  95   6.744  -7.174 -19.587
  723    HE2  HIS  95           HE2      HIS  95   8.499  -6.771 -21.339
  724    H    HIS  96           H        HIS  96  10.868  -1.942 -16.321
  725    HA   HIS  96           HA       HIS  96   8.078  -1.692 -15.887
  726    HB2  HIS  96           2HB      HIS  96   8.532   0.438 -14.942
  727    HB3  HIS  96           3HB      HIS  96   9.952  -0.530 -14.577
  728    HD1  HIS  96           HD1      HIS  96   8.863   2.573 -16.205
  729    HD2  HIS  96           HD2      HIS  96  12.293   0.233 -16.130
  730    HE1  HIS  96           HE1      HIS  96  10.670   4.002 -17.189
  731    HE2  HIS  96           HE2      HIS  96  12.764   2.634 -16.948
  732    H    HIS  97           H        HIS  97   6.613  -0.221 -16.843
  733    HA   HIS  97           HA       HIS  97   7.149   0.371 -19.706
  734    HB2  HIS  97           2HB      HIS  97   4.683   0.009 -20.054
  735    HB3  HIS  97           3HB      HIS  97   5.544  -1.434 -19.547
  736    HD1  HIS  97           HD1      HIS  97   2.745   0.773 -18.573
  737    HD2  HIS  97           HD2      HIS  97   5.025  -2.233 -16.844
  738    HE1  HIS  97           HE1      HIS  97   1.473   0.047 -16.535
  739    HE2  HIS  97           HE2      HIS  97   2.907  -1.725 -15.474
  740    H    HIS  98           H        HIS  98   5.471   2.043 -20.539
  741    HA   HIS  98           HA       HIS  98   6.000   4.458 -18.988
  742    HB2  HIS  98           2HB      HIS  98   6.580   4.416 -21.385
  743    HB3  HIS  98           3HB      HIS  98   4.905   4.096 -21.817
  744    HD1  HIS  98           HD1      HIS  98   7.092   6.821 -20.365
  745    HD2  HIS  98           HD2      HIS  98   3.310   6.365 -22.028
  746    HE1  HIS  98           HE1      HIS  98   6.227   9.149 -20.719
  747    HE2  HIS  98           HE2      HIS  98   3.875   8.837 -21.566
  748    H    HIS  99           H        HIS  99   4.512   4.700 -17.379
  749    HA   HIS  99           HA       HIS  99   1.632   4.499 -17.929
  750    HB2  HIS  99           2HB      HIS  99   2.404   3.561 -15.805
  751    HB3  HIS  99           3HB      HIS  99   3.164   5.082 -15.353
  752    HD1  HIS  99           HD1      HIS  99   1.740   6.690 -14.047
  753    HD2  HIS  99           HD2      HIS  99  -0.528   3.724 -15.863
  754    HE1  HIS  99           HE1      HIS  99  -0.591   6.991 -13.173
  755    HE2  HIS  99           HE2      HIS  99  -1.895   5.083 -14.155
  Start of MODEL    2
    1    H1   GLU   1           1H       GLU   1 -11.886  -4.935  21.401
    2    H2   GLU   1           2H       GLU   1 -11.166  -5.985  20.285
    3    H3   GLU   1           3H       GLU   1 -12.829  -6.065  20.567
    4    HA   GLU   1           HA       GLU   1 -13.193  -3.946  19.627
    5    HB2  GLU   1           2HB      GLU   1 -11.357  -2.624  18.636
    6    HB3  GLU   1           3HB      GLU   1 -11.064  -2.888  20.351
    7    HG2  GLU   1           2HG      GLU   1  -9.496  -4.765  19.719
    8    HG3  GLU   1           3HG      GLU   1  -9.706  -4.312  18.032
    9    H    ASP   2           H        ASP   2 -13.911  -4.014  17.519
   10    HA   ASP   2           HA       ASP   2 -13.345  -6.351  15.911
   11    HB2  ASP   2           2HB      ASP   2 -14.974  -5.383  14.309
   12    HB3  ASP   2           3HB      ASP   2 -15.618  -5.392  15.946
   13    HA   PRO   3           HA       PRO   3 -10.170  -4.288  13.424
   14    HB2  PRO   3           2HB      PRO   3  -9.811  -6.076  11.447
   15    HB3  PRO   3           3HB      PRO   3  -9.399  -6.483  13.120
   16    HG2  PRO   3           2HG      PRO   3 -11.869  -7.217  11.546
   17    HG3  PRO   3           3HG      PRO   3 -10.868  -8.243  12.602
   18    HD2  PRO   3           2HD      PRO   3 -13.233  -7.018  13.405
   19    HD3  PRO   3           3HD      PRO   3 -11.938  -7.504  14.522
   20    H    GLU   4           H        GLU   4 -13.391  -4.276  12.646
   21    HA   GLU   4           HA       GLU   4 -13.451  -3.926   9.835
   22    HB2  GLU   4           2HB      GLU   4 -15.498  -2.965  11.871
   23    HB3  GLU   4           3HB      GLU   4 -15.770  -3.170  10.142
   24    HG2  GLU   4           2HG      GLU   4 -15.154  -5.380  12.130
   25    HG3  GLU   4           3HG      GLU   4 -16.735  -5.012  11.444
   26    H    ASP   5           H        ASP   5 -12.828  -1.718  12.453
   27    HA   ASP   5           HA       ASP   5 -12.872   0.745  11.086
   28    HB2  ASP   5           2HB      ASP   5 -12.612   0.565  13.532
   29    HB3  ASP   5           3HB      ASP   5 -11.064  -0.236  13.335
   30    HA   PRO   6           HA       PRO   6  -9.796   0.074   7.859
   31    HB2  PRO   6           2HB      PRO   6  -9.211   3.019   8.219
   32    HB3  PRO   6           3HB      PRO   6  -9.562   2.109   6.738
   33    HG2  PRO   6           2HG      PRO   6 -11.445   3.632   7.842
   34    HG3  PRO   6           3HG      PRO   6 -11.863   2.040   7.168
   35    HD2  PRO   6           2HD      PRO   6 -11.508   2.845  10.055
   36    HD3  PRO   6           3HD      PRO   6 -12.707   1.755   9.325
   37    H    PHE   7           H        PHE   7  -8.661   2.349  10.398
   38    HA   PHE   7           HA       PHE   7  -5.906   1.821  10.060
   39    HB2  PHE   7           2HB      PHE   7  -6.698   3.892  11.087
   40    HB3  PHE   7           3HB      PHE   7  -7.408   3.001  12.429
   41    HD1  PHE   7           HD1      PHE   7  -4.102   3.584  10.749
   42    HD2  PHE   7           HD2      PHE   7  -6.139   2.777  14.427
   43    HE1  PHE   7           HE1      PHE   7  -1.986   3.808  11.978
   44    HE2  PHE   7           HE2      PHE   7  -4.014   3.014  15.648
   45    HZ   PHE   7           HZ       PHE   7  -1.937   3.527  14.424
   46    H    THR   8           H        THR   8  -8.361   0.258  12.070
   47    HA   THR   8           HA       THR   8  -6.581  -1.110  13.820
   48    HB   THR   8           HB       THR   8  -9.454  -1.862  13.109
   49    HG1  THR   8           HG1      THR   8  -8.866   0.325  14.056
   50   HG21  THR   8          3HG2      THR   8  -7.795  -2.584  15.565
   51   HG22  THR   8          1HG2      THR   8  -8.260  -3.708  14.278
   52   HG23  THR   8          2HG2      THR   8  -9.491  -2.990  15.313
   53    H    ARG   9           H        ARG   9  -8.279  -2.170  10.816
   54    HA   ARG   9           HA       ARG   9  -7.002  -4.768  10.789
   55    HB2  ARG   9           2HB      ARG   9  -8.099  -5.146   8.644
   56    HB3  ARG   9           3HB      ARG   9  -9.235  -4.531   9.834
   57    HG2  ARG   9           2HG      ARG   9  -8.710  -2.201   8.720
   58    HG3  ARG   9           3HG      ARG   9  -8.148  -3.192   7.372
   59    HD2  ARG   9           2HD      ARG   9 -10.940  -3.129   8.579
   60    HD3  ARG   9           3HD      ARG   9 -10.448  -2.566   6.983
   61    HE   ARG   9           HE       ARG   9 -10.101  -4.890   6.333
   62   HH11  ARG   9          1HH1      ARG   9 -11.825  -4.511   9.358
   63   HH12  ARG   9          2HH1      ARG   9 -12.709  -5.991   9.188
   64   HH21  ARG   9          1HH2      ARG   9 -11.244  -6.870   6.173
   65   HH22  ARG   9          2HH2      ARG   9 -12.373  -7.309   7.410
   66    H    TYR  10           H        TYR  10  -6.288  -1.631   9.467
   67    HA   TYR  10           HA       TYR  10  -4.243  -2.231   7.626
   68    HB2  TYR  10           2HB      TYR  10  -5.114   0.022   7.798
   69    HB3  TYR  10           3HB      TYR  10  -4.668   0.137   9.493
   70    HD1  TYR  10           HD1      TYR  10  -3.191  -0.105   6.047
   71    HD2  TYR  10           HD2      TYR  10  -2.569   1.085  10.109
   72    HE1  TYR  10           HE1      TYR  10  -1.083   0.978   5.414
   73    HE2  TYR  10           HE2      TYR  10  -0.455   2.168   9.462
   74    HH   TYR  10           HH       TYR  10   0.344   2.935   6.387
   75    H    ALA  11           H        ALA  11  -3.999  -1.485  11.099
   76    HA   ALA  11           HA       ALA  11  -1.211  -2.053  11.357
   77    HB1  ALA  11           3HB      ALA  11  -2.392  -0.514  12.876
   78    HB2  ALA  11           1HB      ALA  11  -1.622  -1.818  13.781
   79    HB3  ALA  11           2HB      ALA  11  -3.365  -1.845  13.500
   80    H    LEU  12           H        LEU  12  -4.170  -3.926  11.710
   81    HA   LEU  12           HA       LEU  12  -3.053  -6.277  12.901
   82    HB2  LEU  12           2HB      LEU  12  -5.472  -5.771  13.026
   83    HB3  LEU  12           3HB      LEU  12  -5.602  -5.911  11.281
   84    HG   LEU  12           HG       LEU  12  -4.945  -8.353  11.499
   85   HD11  LEU  12          1HD1      LEU  12  -3.803  -8.296  13.652
   86   HD12  LEU  12          2HD1      LEU  12  -5.116  -9.470  13.663
   87   HD13  LEU  12          3HD1      LEU  12  -5.323  -7.915  14.473
   88   HD21  LEU  12          3HD2      LEU  12  -7.490  -7.529  12.930
   89   HD22  LEU  12          1HD2      LEU  12  -7.160  -9.109  12.214
   90   HD23  LEU  12          2HD2      LEU  12  -7.280  -7.685  11.184
   91    H    ALA  13           H        ALA  13  -3.533  -5.173   9.579
   92    HA   ALA  13           HA       ALA  13  -2.828  -7.548   8.206
   93    HB1  ALA  13           3HB      ALA  13  -3.906  -5.654   7.058
   94    HB2  ALA  13           1HB      ALA  13  -2.398  -6.095   6.258
   95    HB3  ALA  13           2HB      ALA  13  -2.464  -4.668   7.296
   96    H    GLN  14           H        GLN  14  -0.958  -4.811   9.428
   97    HA   GLN  14           HA       GLN  14   1.596  -5.739   8.598
   98    HB2  GLN  14           2HB      GLN  14   0.822  -3.764  10.771
   99    HB3  GLN  14           3HB      GLN  14   2.467  -4.026  10.186
  100    HG2  GLN  14           2HG      GLN  14   1.652  -3.366   7.879
  101    HG3  GLN  14           3HG      GLN  14   0.122  -2.907   8.627
  102   HE21  GLN  14          1HE2      GLN  14   3.536  -2.183   8.395
  103   HE22  GLN  14          2HE2      GLN  14   3.450  -0.584   9.054
  104    H    GLU  15           H        GLU  15  -0.376  -6.410  11.449
  105    HA   GLU  15           HA       GLU  15   1.579  -7.873  12.910
  106    HB2  GLU  15           2HB      GLU  15  -1.457  -8.153  12.896
  107    HB3  GLU  15           3HB      GLU  15  -0.397  -8.992  14.022
  108    HG2  GLU  15           2HG      GLU  15  -0.860  -6.007  13.820
  109    HG3  GLU  15           3HG      GLU  15  -1.378  -7.082  15.117
  110    H    HIS  16           H        HIS  16  -0.873  -8.852  10.498
  111    HA   HIS  16           HA       HIS  16  -0.409 -11.603  10.444
  112    HB2  HIS  16           2HB      HIS  16  -1.512  -9.705   8.343
  113    HB3  HIS  16           3HB      HIS  16  -1.312 -11.413   7.988
  114    HD1  HIS  16           HD1      HIS  16  -2.694 -13.079   9.641
  115    HD2  HIS  16           HD2      HIS  16  -3.894  -9.104   9.576
  116    HE1  HIS  16           HE1      HIS  16  -5.014 -13.064  10.594
  117    HE2  HIS  16           HE2      HIS  16  -5.691 -10.636  10.603
  118    H    LEU  17           H        LEU  17   1.203  -8.990   8.668
  119    HA   LEU  17           HA       LEU  17   2.892 -10.419   6.964
  120    HB2  LEU  17           2HB      LEU  17   3.340  -7.814   8.463
  121    HB3  LEU  17           3HB      LEU  17   4.470  -8.418   7.258
  122    HG   LEU  17           HG       LEU  17   1.562  -7.741   6.680
  123   HD11  LEU  17          1HD1      LEU  17   2.806  -5.718   7.282
  124   HD12  LEU  17          2HD1      LEU  17   2.399  -5.729   5.571
  125   HD13  LEU  17          3HD1      LEU  17   4.045  -6.104   6.086
  126   HD21  LEU  17          3HD2      LEU  17   2.457  -9.441   5.171
  127   HD22  LEU  17          1HD2      LEU  17   3.861  -8.429   4.815
  128   HD23  LEU  17          2HD2      LEU  17   2.247  -7.916   4.318
  129    H    LYS  18           H        LYS  18   3.541  -9.277  10.270
  130    HA   LYS  18           HA       LYS  18   6.100 -10.482  10.533
  131    HB2  LYS  18           2HB      LYS  18   4.170  -9.479  12.666
  132    HB3  LYS  18           3HB      LYS  18   5.863  -9.882  12.954
  133    HG2  LYS  18           2HG      LYS  18   6.561  -8.086  11.392
  134    HG3  LYS  18           3HG      LYS  18   4.871  -7.686  11.087
  135    HD2  LYS  18           2HD      LYS  18   6.290  -7.448  13.776
  136    HD3  LYS  18           3HD      LYS  18   5.938  -6.110  12.680
  137    HE2  LYS  18           2HE      LYS  18   3.487  -6.658  12.929
  138    HE3  LYS  18           3HE      LYS  18   3.929  -7.826  14.176
  139    HZ1  LYS  18           3HZ      LYS  18   3.276  -5.720  15.126
  140    HZ2  LYS  18           1HZ      LYS  18   4.474  -4.909  14.257
  141    HZ3  LYS  18           2HZ      LYS  18   4.901  -6.021  15.453
  142    H    HIS  19           H        HIS  19   2.845 -11.620  11.144
  143    HA   HIS  19           HA       HIS  19   3.703 -14.110  12.413
  144    HB2  HIS  19           2HB      HIS  19   0.923 -13.161  11.610
  145    HB3  HIS  19           3HB      HIS  19   1.284 -14.552  12.632
  146    HD1  HIS  19           HD1      HIS  19  -0.486 -12.103  13.531
  147    HD2  HIS  19           HD2      HIS  19   3.523 -12.638  14.465
  148    HE1  HIS  19           HE1      HIS  19  -0.081 -10.711  15.577
  149    HE2  HIS  19           HE2      HIS  19   2.272 -11.280  16.262
  150    H    ASP  20           H        ASP  20   4.172 -13.271   9.457
  151    HA   ASP  20           HA       ASP  20   4.843 -14.449   7.665
  152    HB2  ASP  20           2HB      ASP  20   5.310 -16.380   9.112
  153    HB3  ASP  20           3HB      ASP  20   3.632 -16.894   9.018
  154    H    ASN  21           H        ASN  21   1.573 -14.160   8.515
  155    HA   ASN  21           HA       ASN  21   0.373 -15.245   6.117
  156    HB2  ASN  21           2HB      ASN  21  -0.890 -13.414   8.202
  157    HB3  ASN  21           3HB      ASN  21  -1.750 -14.354   6.997
  158   HD21  ASN  21          1HD2      ASN  21   0.104 -16.725   7.565
  159   HD22  ASN  21          2HD2      ASN  21  -0.515 -17.367   9.037
  160    H    ALA  22           H        ALA  22   1.933 -13.906   4.749
  161    HA   ALA  22           HA       ALA  22   1.493 -11.110   4.385
  162    HB1  ALA  22           3HB      ALA  22   2.723 -13.152   2.497
  163    HB2  ALA  22           1HB      ALA  22   3.591 -12.188   3.696
  164    HB3  ALA  22           2HB      ALA  22   2.819 -11.397   2.322
  165    H    SER  23           H        SER  23   0.170 -14.052   2.951
  166    HA   SER  23           HA       SER  23  -1.447 -13.079   0.915
  167    HB2  SER  23           2HB      SER  23  -2.813 -15.177   1.341
  168    HB3  SER  23           3HB      SER  23  -1.076 -15.466   1.231
  169    HG   SER  23           HG       SER  23  -1.682 -16.536   3.032
  170    H    ARG  24           H        ARG  24  -2.321 -13.518   4.382
  171    HA   ARG  24           HA       ARG  24  -4.981 -12.530   4.160
  172    HB2  ARG  24           2HB      ARG  24  -3.120 -12.971   6.531
  173    HB3  ARG  24           3HB      ARG  24  -4.773 -12.399   6.725
  174    HG2  ARG  24           2HG      ARG  24  -4.034 -15.030   5.389
  175    HG3  ARG  24           3HG      ARG  24  -4.494 -14.862   7.085
  176    HD2  ARG  24           2HD      ARG  24  -6.690 -13.965   6.417
  177    HD3  ARG  24           3HD      ARG  24  -6.244 -14.112   4.712
  178    HE   ARG  24           HE       ARG  24  -6.042 -16.601   6.139
  179   HH11  ARG  24          1HH1      ARG  24  -8.342 -14.524   4.442
  180   HH12  ARG  24          2HH1      ARG  24  -9.467 -15.808   4.155
  181   HH21  ARG  24          1HH2      ARG  24  -7.532 -18.260   5.742
  182   HH22  ARG  24          2HH2      ARG  24  -9.003 -17.922   4.890
  183    H    ALA  25           H        ALA  25  -1.887 -11.068   5.006
  184    HA   ALA  25           HA       ALA  25  -2.799  -8.485   5.765
  185    HB1  ALA  25           3HB      ALA  25  -0.551  -9.326   6.308
  186    HB2  ALA  25           1HB      ALA  25  -0.451  -7.812   5.409
  187    HB3  ALA  25           2HB      ALA  25  -0.129  -9.347   4.594
  188    H    LEU  26           H        LEU  26  -1.960  -9.991   2.718
  189    HA   LEU  26           HA       LEU  26  -1.803  -7.719   1.040
  190    HB2  LEU  26           2HB      LEU  26  -0.927 -10.068   0.542
  191    HB3  LEU  26           3HB      LEU  26  -2.581 -10.556   0.239
  192    HG   LEU  26           HG       LEU  26  -2.666  -8.885  -1.654
  193   HD11  LEU  26          1HD1      LEU  26  -0.906  -7.361  -0.903
  194   HD12  LEU  26          2HD1      LEU  26  -0.574  -7.959  -2.519
  195   HD13  LEU  26          3HD1      LEU  26   0.312  -8.617  -1.145
  196   HD21  LEU  26          3HD2      LEU  26  -0.511 -11.021  -1.876
  197   HD22  LEU  26          1HD2      LEU  26  -1.339 -10.246  -3.231
  198   HD23  LEU  26          2HD2      LEU  26  -2.243 -11.266  -2.114
  199    H    ALA  27           H        ALA  27  -4.359 -10.098   1.632
  200    HA   ALA  27           HA       ALA  27  -6.456  -9.044   0.148
  201    HB1  ALA  27           3HB      ALA  27  -6.623 -10.570   2.770
  202    HB2  ALA  27           1HB      ALA  27  -6.483 -11.290   1.163
  203    HB3  ALA  27           2HB      ALA  27  -7.932 -10.381   1.602
  204    H    LEU  28           H        LEU  28  -5.625  -8.387   3.575
  205    HA   LEU  28           HA       LEU  28  -7.743  -6.632   4.165
  206    HB2  LEU  28           2HB      LEU  28  -4.999  -6.981   5.403
  207    HB3  LEU  28           3HB      LEU  28  -6.116  -5.770   6.012
  208    HG   LEU  28           HG       LEU  28  -6.682  -8.769   5.949
  209   HD11  LEU  28          1HD1      LEU  28  -6.412  -8.702   8.396
  210   HD12  LEU  28          2HD1      LEU  28  -5.933  -7.005   8.305
  211   HD13  LEU  28          3HD1      LEU  28  -4.921  -8.250   7.571
  212   HD21  LEU  28          3HD2      LEU  28  -8.642  -8.220   7.339
  213   HD22  LEU  28          1HD2      LEU  28  -8.737  -7.434   5.765
  214   HD23  LEU  28          2HD2      LEU  28  -8.282  -6.498   7.191
  215    H    PHE  29           H        PHE  29  -4.472  -5.911   2.898
  216    HA   PHE  29           HA       PHE  29  -4.769  -3.076   2.920
  217    HB2  PHE  29           2HB      PHE  29  -2.841  -4.901   1.451
  218    HB3  PHE  29           3HB      PHE  29  -2.800  -3.156   1.257
  219    HD1  PHE  29           HD1      PHE  29  -3.121  -2.109   3.963
  220    HD2  PHE  29           HD2      PHE  29  -0.902  -5.518   2.635
  221    HE1  PHE  29           HE1      PHE  29  -1.591  -1.875   5.876
  222    HE2  PHE  29           HE2      PHE  29   0.615  -5.282   4.559
  223    HZ   PHE  29           HZ       PHE  29   0.269  -3.455   6.183
  224    H    GLU  30           H        GLU  30  -5.119  -5.488   0.283
  225    HA   GLU  30           HA       GLU  30  -5.830  -3.782  -1.832
  226    HB2  GLU  30           2HB      GLU  30  -6.593  -6.671  -1.268
  227    HB3  GLU  30           3HB      GLU  30  -6.957  -5.870  -2.790
  228    HG2  GLU  30           2HG      GLU  30  -4.547  -5.549  -3.206
  229    HG3  GLU  30           3HG      GLU  30  -4.170  -6.329  -1.670
  230    H    GLU  31           H        GLU  31  -7.681  -5.122   0.786
  231    HA   GLU  31           HA       GLU  31 -10.296  -4.414  -0.091
  232    HB2  GLU  31           2HB      GLU  31  -9.927  -6.205   1.499
  233    HB3  GLU  31           3HB      GLU  31  -9.106  -5.115   2.607
  234    HG2  GLU  31           2HG      GLU  31 -11.220  -3.954   3.063
  235    HG3  GLU  31           3HG      GLU  31 -12.056  -5.001   1.908
  236    H    LEU  32           H        LEU  32  -7.951  -2.970   2.173
  237    HA   LEU  32           HA       LEU  32  -9.409  -0.750   3.030
  238    HB2  LEU  32           2HB      LEU  32  -6.434  -1.213   2.709
  239    HB3  LEU  32           3HB      LEU  32  -7.055   0.294   3.366
  240    HG   LEU  32           HG       LEU  32  -7.608  -2.436   4.589
  241   HD11  LEU  32          1HD1      LEU  32  -5.554  -0.372   5.428
  242   HD12  LEU  32          2HD1      LEU  32  -5.222  -1.961   4.737
  243   HD13  LEU  32          3HD1      LEU  32  -5.977  -1.833   6.324
  244   HD21  LEU  32          3HD2      LEU  32  -9.339  -0.767   5.078
  245   HD22  LEU  32          1HD2      LEU  32  -8.109   0.369   5.646
  246   HD23  LEU  32          2HD2      LEU  32  -8.399  -1.136   6.518
  247    H    VAL  33           H        VAL  33  -7.439  -1.176   0.128
  248    HA   VAL  33           HA       VAL  33  -7.625   1.434  -0.917
  249    HB   VAL  33           HB       VAL  33  -7.292  -1.266  -2.301
  250   HG11  VAL  33          1HG1      VAL  33  -6.511  -0.025  -4.319
  251   HG12  VAL  33          2HG1      VAL  33  -6.997   1.494  -3.556
  252   HG13  VAL  33          3HG1      VAL  33  -8.210   0.277  -3.957
  253   HG21  VAL  33          3HG2      VAL  33  -5.448  -0.658  -0.797
  254   HG22  VAL  33          1HG2      VAL  33  -5.248   0.886  -1.632
  255   HG23  VAL  33          2HG2      VAL  33  -4.905  -0.629  -2.473
  256    H    GLU  34           H        GLU  34  -9.600  -1.499  -1.636
  257    HA   GLU  34           HA       GLU  34 -11.201  -0.210  -3.573
  258    HB2  GLU  34           2HB      GLU  34 -12.518  -2.233  -3.689
  259    HB3  GLU  34           3HB      GLU  34 -10.819  -2.661  -3.529
  260    HG2  GLU  34           2HG      GLU  34 -11.158  -3.148  -1.141
  261    HG3  GLU  34           3HG      GLU  34 -12.855  -2.701  -1.278
  262    H    THR  35           H        THR  35 -11.683  -0.525  -0.060
  263    HA   THR  35           HA       THR  35 -14.405   0.530  -0.247
  264    HB   THR  35           HB       THR  35 -14.071  -1.288   1.366
  265    HG1  THR  35           HG1      THR  35 -14.541   1.179   2.723
  266   HG21  THR  35          3HG2      THR  35 -12.788  -0.989   3.453
  267   HG22  THR  35          1HG2      THR  35 -12.212   0.583   2.894
  268   HG23  THR  35          2HG2      THR  35 -11.722  -0.887   2.054
  269    H    ASP  36           H        ASP  36 -11.166   1.569   0.739
  270    HA   ASP  36           HA       ASP  36 -12.139   4.325   1.215
  271    HB2  ASP  36           2HB      ASP  36 -10.404   2.652   3.069
  272    HB3  ASP  36           3HB      ASP  36 -10.285   4.407   3.069
  273    HA   PRO  37           HA       PRO  37  -8.716   4.022  -1.960
  274    HB2  PRO  37           2HB      PRO  37 -10.174   6.253  -3.280
  275    HB3  PRO  37           3HB      PRO  37  -9.703   4.681  -3.938
  276    HG2  PRO  37           2HG      PRO  37 -12.279   5.258  -3.390
  277    HG3  PRO  37           3HG      PRO  37 -11.628   3.623  -3.137
  278    HD2  PRO  37           2HD      PRO  37 -12.088   5.816  -1.106
  279    HD3  PRO  37           3HD      PRO  37 -12.504   4.088  -1.008
  280    H    ASP  38           H        ASP  38  -9.804   6.468   0.082
  281    HA   ASP  38           HA       ASP  38  -7.879   8.549  -0.633
  282    HB2  ASP  38           2HB      ASP  38  -8.919   9.864   1.140
  283    HB3  ASP  38           3HB      ASP  38 -10.187   9.110   0.183
  284    H    TYR  39           H        TYR  39  -8.074   5.822   1.544
  285    HA   TYR  39           HA       TYR  39  -6.214   6.627   3.523
  286    HB2  TYR  39           2HB      TYR  39  -7.914   4.570   3.451
  287    HB3  TYR  39           3HB      TYR  39  -6.552   3.700   2.765
  288    HD1  TYR  39           HD2      TYR  39  -4.431   3.466   4.154
  289    HD2  TYR  39           HD1      TYR  39  -8.027   5.024   5.835
  290    HE1  TYR  39           HE2      TYR  39  -3.551   3.048   6.398
  291    HE2  TYR  39           HE1      TYR  39  -7.141   4.610   8.089
  292    HH   TYR  39           HH       TYR  39  -3.920   3.923   8.717
  293    H    VAL  40           H        VAL  40  -4.408   7.517   2.535
  294    HA   VAL  40           HA       VAL  40  -2.991   6.459   0.317
  295    HB   VAL  40           HB       VAL  40  -1.998   8.439   2.424
  296   HG11  VAL  40          1HG1      VAL  40  -0.482   9.246   0.624
  297   HG12  VAL  40          2HG1      VAL  40  -1.009   7.918  -0.407
  298   HG13  VAL  40          3HG1      VAL  40  -0.144   7.583   1.095
  299   HG21  VAL  40          3HG2      VAL  40  -3.410   9.005  -0.216
  300   HG22  VAL  40          1HG2      VAL  40  -2.771  10.220   0.898
  301   HG23  VAL  40          2HG2      VAL  40  -4.113   9.189   1.392
  302    H    GLY  41           H        GLY  41  -2.613   6.024   3.798
  303    HA2  GLY  41           2HA      GLY  41   0.029   5.057   3.948
  304    HA3  GLY  41           3HA      GLY  41  -1.244   4.740   5.115
  305    H    THR  42           H        THR  42  -2.985   3.415   3.194
  306    HA   THR  42           HA       THR  42  -2.118   0.749   3.319
  307    HB   THR  42           HB       THR  42  -4.230   2.020   1.526
  308    HG1  THR  42           HG1      THR  42  -5.573   1.623   3.163
  309   HG21  THR  42          3HG2      THR  42  -5.155  -0.261   1.282
  310   HG22  THR  42          1HG2      THR  42  -3.777  -0.916   2.170
  311   HG23  THR  42          2HG2      THR  42  -3.533  -0.155   0.599
  312    H    TYR  43           H        TYR  43  -2.066   3.087   0.601
  313    HA   TYR  43           HA       TYR  43  -1.430   1.263  -1.428
  314    HB2  TYR  43           2HB      TYR  43  -1.015   4.265  -1.267
  315    HB3  TYR  43           3HB      TYR  43  -0.685   3.332  -2.728
  316    HD1  TYR  43           HD1      TYR  43  -2.522   2.348  -4.041
  317    HD2  TYR  43           HD2      TYR  43  -3.354   4.636  -0.524
  318    HE1  TYR  43           HE1      TYR  43  -4.872   2.530  -4.711
  319    HE2  TYR  43           HE2      TYR  43  -5.707   4.811  -1.207
  320    HH   TYR  43           HH       TYR  43  -7.013   4.708  -3.270
  321    H    TYR  44           H        TYR  44   0.784   3.409   0.429
  322    HA   TYR  44           HA       TYR  44   3.184   2.615  -0.648
  323    HB2  TYR  44           2HB      TYR  44   2.853   4.423   1.081
  324    HB3  TYR  44           3HB      TYR  44   2.698   3.175   2.314
  325    HD1  TYR  44           HD1      TYR  44   5.066   4.459  -0.298
  326    HD2  TYR  44           HD2      TYR  44   4.684   2.384   3.420
  327    HE1  TYR  44           HE1      TYR  44   7.506   4.458  -0.037
  328    HE2  TYR  44           HE2      TYR  44   7.125   2.390   3.681
  329    HH   TYR  44           HH       TYR  44   9.167   4.319   1.800
  330    H    HIS  45           H        HIS  45   1.713   1.191   2.276
  331    HA   HIS  45           HA       HIS  45   3.671  -0.808   2.666
  332    HB2  HIS  45           2HB      HIS  45   0.853  -0.549   3.797
  333    HB3  HIS  45           3HB      HIS  45   2.006  -1.766   4.341
  334    HD1  HIS  45           HD1      HIS  45   3.018  -1.039   6.490
  335    HD2  HIS  45           HD2      HIS  45   2.352   2.188   3.978
  336    HE1  HIS  45           HE1      HIS  45   3.953   0.947   7.684
  337    HE2  HIS  45           HE2      HIS  45   3.369   2.907   6.233
  338    H    LEU  46           H        LEU  46   0.577  -0.954   0.997
  339    HA   LEU  46           HA       LEU  46   0.446  -3.728   0.488
  340    HB2  LEU  46           2HB      LEU  46  -1.525  -2.296   0.247
  341    HB3  LEU  46           3HB      LEU  46  -0.743  -1.368  -1.020
  342    HG   LEU  46           HG       LEU  46  -0.866  -3.274  -2.562
  343   HD11  LEU  46          1HD1      LEU  46  -2.041  -5.352  -2.012
  344   HD12  LEU  46          2HD1      LEU  46  -2.209  -4.832  -0.338
  345   HD13  LEU  46          3HD1      LEU  46  -0.609  -5.143  -1.010
  346   HD21  LEU  46          3HD2      LEU  46  -3.551  -2.730  -1.257
  347   HD22  LEU  46          1HD2      LEU  46  -3.302  -3.398  -2.873
  348   HD23  LEU  46          2HD2      LEU  46  -2.784  -1.754  -2.512
  349    H    GLY  47           H        GLY  47   1.919  -1.001  -1.266
  350    HA2  GLY  47           2HA      GLY  47   2.715  -2.481  -3.587
  351    HA3  GLY  47           3HA      GLY  47   3.242  -0.875  -3.120
  352    H    LYS  48           H        LYS  48   4.238  -1.648  -0.491
  353    HA   LYS  48           HA       LYS  48   6.896  -2.460  -1.153
  354    HB2  LYS  48           2HB      LYS  48   5.638  -2.438   1.633
  355    HB3  LYS  48           3HB      LYS  48   7.358  -2.450   1.263
  356    HG2  LYS  48           2HG      LYS  48   5.427  -0.180   0.735
  357    HG3  LYS  48           3HG      LYS  48   6.608  -0.251   2.031
  358    HD2  LYS  48           2HD      LYS  48   7.332  -0.226  -0.925
  359    HD3  LYS  48           3HD      LYS  48   7.215   1.221   0.071
  360    HE2  LYS  48           2HE      LYS  48   9.525   0.698  -0.007
  361    HE3  LYS  48           3HE      LYS  48   8.995   0.150   1.581
  362    HZ1  LYS  48           3HZ      LYS  48   8.939  -2.099   0.764
  363    HZ2  LYS  48           1HZ      LYS  48  10.456  -1.430   0.454
  364    HZ3  LYS  48           2HZ      LYS  48   9.329  -1.591  -0.801
  365    H    LEU  49           H        LEU  49   4.047  -4.067   0.136
  366    HA   LEU  49           HA       LEU  49   5.206  -6.609   0.690
  367    HB2  LEU  49           2HB      LEU  49   3.057  -5.863   1.669
  368    HB3  LEU  49           3HB      LEU  49   2.318  -5.856   0.078
  369    HG   LEU  49           HG       LEU  49   2.424  -8.285  -0.061
  370   HD11  LEU  49          1HD1      LEU  49   3.299  -9.697   1.764
  371   HD12  LEU  49          2HD1      LEU  49   3.921  -8.259   2.578
  372   HD13  LEU  49          3HD1      LEU  49   4.561  -8.734   1.003
  373   HD21  LEU  49          3HD2      LEU  49   0.497  -7.322   1.131
  374   HD22  LEU  49          1HD2      LEU  49   1.365  -7.454   2.665
  375   HD23  LEU  49          2HD2      LEU  49   0.915  -8.909   1.769
  376    H    TYR  50           H        TYR  50   3.671  -5.168  -2.166
  377    HA   TYR  50           HA       TYR  50   3.876  -7.410  -3.877
  378    HB2  TYR  50           2HB      TYR  50   3.762  -4.432  -4.439
  379    HB3  TYR  50           3HB      TYR  50   3.849  -5.623  -5.731
  380    HD1  TYR  50           HD1      TYR  50   2.052  -7.752  -4.635
  381    HD2  TYR  50           HD2      TYR  50   1.561  -3.510  -4.745
  382    HE1  TYR  50           HE1      TYR  50  -0.372  -8.030  -4.702
  383    HE2  TYR  50           HE2      TYR  50  -0.876  -3.808  -4.793
  384    HH   TYR  50           HH       TYR  50  -2.506  -5.517  -5.457
  385    H    GLU  51           H        GLU  51   6.233  -4.850  -3.052
  386    HA   GLU  51           HA       GLU  51   8.261  -5.673  -4.869
  387    HB2  GLU  51           2HB      GLU  51   8.526  -4.132  -2.266
  388    HB3  GLU  51           3HB      GLU  51   9.872  -4.437  -3.358
  389    HG2  GLU  51           2HG      GLU  51   8.488  -3.219  -5.148
  390    HG3  GLU  51           3HG      GLU  51   7.435  -2.702  -3.831
  391    H    ARG  52           H        ARG  52   7.223  -6.927  -1.800
  392    HA   ARG  52           HA       ARG  52   9.542  -8.605  -1.318
  393    HB2  ARG  52           2HB      ARG  52   6.768  -8.564  -0.058
  394    HB3  ARG  52           3HB      ARG  52   8.088  -9.592   0.495
  395    HG2  ARG  52           2HG      ARG  52   9.398  -7.657   1.156
  396    HG3  ARG  52           3HG      ARG  52   8.209  -6.561   0.451
  397    HD2  ARG  52           2HD      ARG  52   7.991  -6.666   2.900
  398    HD3  ARG  52           3HD      ARG  52   6.539  -7.273   2.099
  399    HE   ARG  52           HE       ARG  52   8.307  -9.412   2.670
  400   HH11  ARG  52          1HH1      ARG  52   6.092  -7.244   4.348
  401   HH12  ARG  52          2HH1      ARG  52   5.768  -8.381   5.614
  402   HH21  ARG  52          1HH2      ARG  52   7.860 -10.874   4.326
  403   HH22  ARG  52          2HH2      ARG  52   6.766 -10.439   5.600
  404    H    LEU  53           H        LEU  53   6.285  -9.025  -2.658
  405    HA   LEU  53           HA       LEU  53   6.559 -11.922  -2.938
  406    HB2  LEU  53           2HB      LEU  53   4.280 -10.015  -3.577
  407    HB3  LEU  53           3HB      LEU  53   4.179 -11.762  -3.736
  408    HG   LEU  53           HG       LEU  53   4.598 -10.253  -1.122
  409   HD11  LEU  53          1HD1      LEU  53   2.334  -9.925  -1.984
  410   HD12  LEU  53          2HD1      LEU  53   2.318 -10.939  -0.544
  411   HD13  LEU  53          3HD1      LEU  53   2.117 -11.672  -2.138
  412   HD21  LEU  53          3HD2      LEU  53   4.198 -13.238  -1.562
  413   HD22  LEU  53          1HD2      LEU  53   4.297 -12.415  -0.003
  414   HD23  LEU  53          2HD2      LEU  53   5.700 -12.452  -1.063
  415    H    ASP  54           H        ASP  54   8.053  -9.811  -4.696
  416    HA   ASP  54           HA       ASP  54   8.751  -9.474  -6.823
  417    HB2  ASP  54           2HB      ASP  54   7.774 -12.321  -7.255
  418    HB3  ASP  54           3HB      ASP  54   8.872 -11.457  -8.327
  419    H    ARG  55           H        ARG  55   5.879  -8.952  -6.155
  420    HA   ARG  55           HA       ARG  55   4.511  -9.034  -8.749
  421    HB2  ARG  55           2HB      ARG  55   3.572  -8.035  -6.018
  422    HB3  ARG  55           3HB      ARG  55   2.563  -8.176  -7.449
  423    HG2  ARG  55           2HG      ARG  55   3.823 -10.485  -5.932
  424    HG3  ARG  55           3HG      ARG  55   2.135  -9.972  -5.838
  425    HD2  ARG  55           2HD      ARG  55   3.566 -11.113  -8.249
  426    HD3  ARG  55           3HD      ARG  55   2.294 -11.891  -7.304
  427    HE   ARG  55           HE       ARG  55   1.561  -9.373  -8.549
  428   HH11  ARG  55          1HH1      ARG  55   1.507 -12.867  -8.880
  429   HH12  ARG  55          2HH1      ARG  55   0.332 -12.838 -10.153
  430   HH21  ARG  55          1HH2      ARG  55   0.078  -9.353 -10.249
  431   HH22  ARG  55          2HH2      ARG  55  -0.466 -10.850 -10.939
  432    H    THR  56           H        THR  56   6.697  -7.491  -9.010
  433    HA   THR  56           HA       THR  56   6.748  -4.864  -8.057
  434    HB   THR  56           HB       THR  56   7.869  -5.854 -10.715
  435    HG1  THR  56           HG1      THR  56   9.336  -6.880  -9.608
  436   HG21  THR  56          3HG2      THR  56   7.960  -3.398 -10.471
  437   HG22  THR  56          1HG2      THR  56   9.575  -4.108 -10.398
  438   HG23  THR  56          2HG2      THR  56   8.777  -3.576  -8.918
  439    H    ASP  57           H        ASP  57   5.256  -6.205 -10.974
  440    HA   ASP  57           HA       ASP  57   4.609  -3.797 -12.299
  441    HB2  ASP  57           2HB      ASP  57   4.586  -6.081 -13.328
  442    HB3  ASP  57           3HB      ASP  57   3.145  -6.472 -12.396
  443    H    ASP  58           H        ASP  58   2.857  -5.781  -9.979
  444    HA   ASP  58           HA       ASP  58   0.428  -4.296  -9.856
  445    HB2  ASP  58           2HB      ASP  58   1.649  -6.094  -7.705
  446    HB3  ASP  58           3HB      ASP  58  -0.048  -5.632  -7.838
  447    H    ALA  59           H        ALA  59   3.498  -4.176  -8.117
  448    HA   ALA  59           HA       ALA  59   2.885  -2.403  -6.034
  449    HB1  ALA  59           3HB      ALA  59   5.000  -3.696  -6.116
  450    HB2  ALA  59           1HB      ALA  59   5.296  -1.977  -5.855
  451    HB3  ALA  59           2HB      ALA  59   5.567  -2.688  -7.447
  452    H    ILE  60           H        ILE  60   4.188  -1.717  -9.294
  453    HA   ILE  60           HA       ILE  60   4.521   1.067  -9.040
  454    HB   ILE  60           HB       ILE  60   3.809  -0.318 -11.675
  455   HG12  ILE  60          2HG1      ILE  60   5.624  -1.616 -10.665
  456   HG13  ILE  60          3HG1      ILE  60   6.254  -0.696 -12.021
  457   HG21  ILE  60          1HG2      ILE  60   5.485   2.165 -11.118
  458   HG22  ILE  60          2HG2      ILE  60   3.854   2.133 -11.788
  459   HG23  ILE  60          3HG2      ILE  60   5.192   1.454 -12.709
  460   HD11  ILE  60          3HD1      ILE  60   7.794  -0.697 -10.173
  461   HD12  ILE  60          1HD1      ILE  60   6.572  -0.016  -9.101
  462   HD13  ILE  60          2HD1      ILE  60   7.196   0.935 -10.454
  463    H    ASP  61           H        ASP  61   1.777  -0.869 -10.090
  464    HA   ASP  61           HA       ASP  61   0.038   1.213 -10.942
  465    HB2  ASP  61           2HB      ASP  61  -0.206  -1.158 -11.657
  466    HB3  ASP  61           3HB      ASP  61  -0.578  -1.629 -10.002
  467    H    THR  62           H        THR  62   0.463  -0.490  -7.868
  468    HA   THR  62           HA       THR  62  -1.689   0.663  -6.414
  469    HB   THR  62           HB       THR  62   0.916  -0.594  -5.427
  470    HG1  THR  62           HG1      THR  62  -0.047  -2.324  -6.124
  471   HG21  THR  62          3HG2      THR  62  -1.662  -0.070  -3.899
  472   HG22  THR  62          1HG2      THR  62  -0.102   0.706  -3.611
  473   HG23  THR  62          2HG2      THR  62  -0.299  -1.017  -3.300
  474    H    TYR  63           H        TYR  63   1.742   1.512  -6.703
  475    HA   TYR  63           HA       TYR  63   1.753   3.712  -4.908
  476    HB2  TYR  63           2HB      TYR  63   3.611   3.083  -7.236
  477    HB3  TYR  63           3HB      TYR  63   3.902   4.354  -6.051
  478    HD1  TYR  63           HD1      TYR  63   3.225   2.971  -3.484
  479    HD2  TYR  63           HD2      TYR  63   5.365   1.555  -6.898
  480    HE1  TYR  63           HE1      TYR  63   4.498   1.424  -2.060
  481    HE2  TYR  63           HE2      TYR  63   6.623   0.012  -5.477
  482    HH   TYR  63           HH       TYR  63   7.278  -0.212  -3.170
  483    H    ALA  64           H        ALA  64   1.318   3.445  -8.433
  484    HA   ALA  64           HA       ALA  64   1.112   6.131  -9.145
  485    HB1  ALA  64           3HB      ALA  64   1.341   4.306 -10.787
  486    HB2  ALA  64           1HB      ALA  64  -0.042   5.337 -11.172
  487    HB3  ALA  64           2HB      ALA  64  -0.296   3.759 -10.418
  488    H    GLN  65           H        GLN  65  -1.554   3.849  -8.414
  489    HA   GLN  65           HA       GLN  65  -3.722   5.636  -8.410
  490    HB2  GLN  65           2HB      GLN  65  -3.405   2.902  -8.013
  491    HB3  GLN  65           3HB      GLN  65  -3.838   3.408  -6.396
  492    HG2  GLN  65           2HG      GLN  65  -5.576   4.233  -8.719
  493    HG3  GLN  65           3HG      GLN  65  -5.662   2.587  -8.121
  494   HE21  GLN  65          1HE2      GLN  65  -5.377   5.590  -6.196
  495   HE22  GLN  65          2HE2      GLN  65  -6.861   5.380  -5.365
  496    H    GLY  66           H        GLY  66  -1.456   4.680  -5.908
  497    HA2  GLY  66           2HA      GLY  66  -2.392   6.095  -3.701
  498    HA3  GLY  66           3HA      GLY  66  -0.723   5.631  -3.985
  499    H    ILE  67           H        ILE  67  -0.202   7.170  -6.309
  500    HA   ILE  67           HA       ILE  67   0.699   9.595  -5.221
  501    HB   ILE  67           HB       ILE  67   0.411   8.572  -8.071
  502   HG12  ILE  67          2HG1      ILE  67   2.903   9.208  -6.423
  503   HG13  ILE  67          3HG1      ILE  67   2.198   7.609  -6.610
  504   HG21  ILE  67          1HG2      ILE  67   1.597  11.283  -7.390
  505   HG22  ILE  67          2HG2      ILE  67   0.115  10.996  -8.297
  506   HG23  ILE  67          3HG2      ILE  67   1.667  10.502  -8.973
  507   HD11  ILE  67          3HD1      ILE  67   2.659   7.678  -9.000
  508   HD12  ILE  67          1HD1      ILE  67   4.117   7.893  -8.035
  509   HD13  ILE  67          2HD1      ILE  67   3.372   9.285  -8.818
  510    H    GLU  68           H        GLU  68  -2.128   8.790  -7.128
  511    HA   GLU  68           HA       GLU  68  -3.122  11.350  -7.755
  512    HB2  GLU  68           2HB      GLU  68  -4.744   8.799  -7.308
  513    HB3  GLU  68           3HB      GLU  68  -5.197  10.177  -8.315
  514    HG2  GLU  68           2HG      GLU  68  -2.852   8.323  -8.833
  515    HG3  GLU  68           3HG      GLU  68  -4.425   8.191  -9.596
  516    H    VAL  69           H        VAL  69  -3.830   9.100  -5.118
  517    HA   VAL  69           HA       VAL  69  -5.704  10.918  -3.820
  518    HB   VAL  69           HB       VAL  69  -6.144   9.157  -2.218
  519   HG11  VAL  69          1HG1      VAL  69  -5.836   7.988  -5.016
  520   HG12  VAL  69          2HG1      VAL  69  -7.212   8.917  -4.416
  521   HG13  VAL  69          3HG1      VAL  69  -6.863   7.327  -3.740
  522   HG21  VAL  69          3HG2      VAL  69  -4.912   7.019  -2.156
  523   HG22  VAL  69          1HG2      VAL  69  -3.842   8.370  -1.776
  524   HG23  VAL  69          2HG2      VAL  69  -3.779   7.615  -3.372
  525    H    ALA  70           H        ALA  70  -2.333  10.292  -3.640
  526    HA   ALA  70           HA       ALA  70  -1.847  11.120  -0.927
  527    HB1  ALA  70           3HB      ALA  70   0.092  10.928  -3.251
  528    HB2  ALA  70           1HB      ALA  70  -0.286   9.632  -2.115
  529    HB3  ALA  70           2HB      ALA  70   0.526  11.091  -1.545
  530    H    ARG  71           H        ARG  71  -1.580  12.672  -4.124
  531    HA   ARG  71           HA       ARG  71  -0.677  15.181  -3.118
  532    HB2  ARG  71           2HB      ARG  71  -0.951  16.019  -5.390
  533    HB3  ARG  71           3HB      ARG  71  -0.197  14.432  -5.418
  534    HG2  ARG  71           2HG      ARG  71  -2.553  13.509  -5.902
  535    HG3  ARG  71           3HG      ARG  71  -3.013  15.182  -6.220
  536    HD2  ARG  71           2HD      ARG  71  -0.900  13.564  -7.684
  537    HD3  ARG  71           3HD      ARG  71  -2.476  14.060  -8.308
  538    HE   ARG  71           HE       ARG  71  -0.878  16.305  -7.516
  539   HH11  ARG  71          1HH1      ARG  71  -1.399  14.045 -10.158
  540   HH12  ARG  71          2HH1      ARG  71  -0.662  15.081 -11.334
  541   HH21  ARG  71          1HH2      ARG  71   0.108  17.625  -9.070
  542   HH22  ARG  71          2HH2      ARG  71   0.184  17.105 -10.725
  543    H    GLU  72           H        GLU  72  -3.881  13.821  -3.721
  544    HA   GLU  72           HA       GLU  72  -5.236  16.395  -3.454
  545    HB2  GLU  72           2HB      GLU  72  -6.372  13.582  -3.739
  546    HB3  GLU  72           3HB      GLU  72  -7.304  15.075  -3.813
  547    HG2  GLU  72           2HG      GLU  72  -5.158  14.215  -5.775
  548    HG3  GLU  72           3HG      GLU  72  -6.895  14.135  -6.043
  549    H    GLU  73           H        GLU  73  -5.310  13.265  -1.710
  550    HA   GLU  73           HA       GLU  73  -6.862  14.437   0.483
  551    HB2  GLU  73           2HB      GLU  73  -6.125  11.518  -0.008
  552    HB3  GLU  73           3HB      GLU  73  -7.323  12.119   1.138
  553    HG2  GLU  73           2HG      GLU  73  -7.490  12.261  -1.891
  554    HG3  GLU  73           3HG      GLU  73  -8.398  11.176  -0.844
  555    H    GLY  74           H        GLY  74  -3.712  12.832  -0.071
  556    HA2  GLY  74           2HA      GLY  74  -3.053  12.805   2.781
  557    HA3  GLY  74           3HA      GLY  74  -2.090  12.164   1.457
  558    H    THR  75           H        THR  75  -0.398  13.297   2.816
  559    HA   THR  75           HA       THR  75  -0.211  16.190   2.447
  560    HB   THR  75           HB       THR  75   1.885  16.010   3.781
  561    HG1  THR  75           HG1      THR  75   1.292  13.249   4.116
  562   HG21  THR  75          3HG2      THR  75  -0.442  14.542   5.073
  563   HG22  THR  75          1HG2      THR  75  -0.241  16.298   5.007
  564   HG23  THR  75          2HG2      THR  75   0.899  15.311   5.922
  565    H    GLN  76           H        GLN  76   2.005  17.028   1.759
  566    HA   GLN  76           HA       GLN  76   2.657  16.186  -0.880
  567    HB2  GLN  76           2HB      GLN  76   2.881  18.541   0.091
  568    HB3  GLN  76           3HB      GLN  76   4.308  17.974   0.945
  569    HG2  GLN  76           2HG      GLN  76   5.220  19.016  -0.922
  570    HG3  GLN  76           3HG      GLN  76   5.211  17.330  -1.415
  571   HE21  GLN  76          1HE2      GLN  76   2.185  17.539  -1.961
  572   HE22  GLN  76          2HE2      GLN  76   2.106  18.364  -3.460
  573    H    LYS  77           H        LYS  77   3.982  15.475   2.293
  574    HA   LYS  77           HA       LYS  77   6.352  14.131   1.614
  575    HB2  LYS  77           2HB      LYS  77   5.857  14.663   3.939
  576    HB3  LYS  77           3HB      LYS  77   4.388  13.691   3.901
  577    HG2  LYS  77           2HG      LYS  77   5.826  11.642   3.575
  578    HG3  LYS  77           3HG      LYS  77   7.249  12.669   3.790
  579    HD2  LYS  77           2HD      LYS  77   6.513  13.238   6.074
  580    HD3  LYS  77           3HD      LYS  77   5.043  12.287   5.854
  581    HE2  LYS  77           2HE      LYS  77   6.713  11.048   7.169
  582    HE3  LYS  77           3HE      LYS  77   6.391  10.237   5.634
  583    HZ1  LYS  77           3HZ      LYS  77   8.752  10.316   6.139
  584    HZ2  LYS  77           1HZ      LYS  77   8.706  12.005   6.194
  585    HZ3  LYS  77           2HZ      LYS  77   8.420  11.200   4.738
  586    H    ASP  78           H        ASP  78   3.018  12.954   1.985
  587    HA   ASP  78           HA       ASP  78   3.458  10.193   1.549
  588    HB2  ASP  78           2HB      ASP  78   0.954  11.884   1.147
  589    HB3  ASP  78           3HB      ASP  78   0.965  10.130   1.018
  590    H    LEU  79           H        LEU  79   2.578  12.822  -0.628
  591    HA   LEU  79           HA       LEU  79   2.360  11.452  -3.054
  592    HB2  LEU  79           2HB      LEU  79   1.665  13.774  -2.817
  593    HB3  LEU  79           3HB      LEU  79   3.309  14.276  -2.450
  594    HG   LEU  79           HG       LEU  79   3.985  13.754  -4.796
  595   HD11  LEU  79          1HD1      LEU  79   1.056  13.113  -5.248
  596   HD12  LEU  79          2HD1      LEU  79   2.405  11.974  -5.320
  597   HD13  LEU  79          3HD1      LEU  79   2.284  13.269  -6.508
  598   HD21  LEU  79          3HD2      LEU  79   2.842  15.654  -5.870
  599   HD22  LEU  79          1HD2      LEU  79   3.275  16.043  -4.206
  600   HD23  LEU  79          2HD2      LEU  79   1.605  15.642  -4.611
  601    H    SER  80           H        SER  80   5.209  12.954  -1.549
  602    HA   SER  80           HA       SER  80   7.073  12.466  -3.600
  603    HB2  SER  80           2HB      SER  80   7.365  14.147  -1.781
  604    HB3  SER  80           3HB      SER  80   7.567  12.843  -0.614
  605    HG   SER  80           HG       SER  80   9.602  13.472  -1.187
  606    H    GLU  81           H        GLU  81   6.065  10.485  -0.832
  607    HA   GLU  81           HA       GLU  81   8.240   8.630  -0.953
  608    HB2  GLU  81           2HB      GLU  81   5.544   8.393   0.441
  609    HB3  GLU  81           3HB      GLU  81   6.896   7.287   0.671
  610    HG2  GLU  81           2HG      GLU  81   6.811  10.225   1.408
  611    HG3  GLU  81           3HG      GLU  81   6.768   8.858   2.516
  612    H    LEU  82           H        LEU  82   4.922   8.618  -2.210
  613    HA   LEU  82           HA       LEU  82   5.024   5.898  -3.146
  614    HB2  LEU  82           2HB      LEU  82   3.099   8.174  -3.702
  615    HB3  LEU  82           3HB      LEU  82   2.869   6.542  -4.326
  616    HG   LEU  82           HG       LEU  82   3.091   7.187  -1.350
  617   HD11  LEU  82          1HD1      LEU  82   1.067   8.213  -2.244
  618   HD12  LEU  82          2HD1      LEU  82   0.689   6.852  -1.192
  619   HD13  LEU  82          3HD1      LEU  82   0.582   6.668  -2.944
  620   HD21  LEU  82          3HD2      LEU  82   2.229   4.916  -1.030
  621   HD22  LEU  82          1HD2      LEU  82   3.754   4.897  -1.909
  622   HD23  LEU  82          2HD2      LEU  82   2.234   4.645  -2.772
  623    H    GLN  83           H        GLN  83   5.686   9.032  -4.605
  624    HA   GLN  83           HA       GLN  83   6.140   8.144  -7.280
  625    HB2  GLN  83           2HB      GLN  83   7.304  10.522  -5.768
  626    HB3  GLN  83           3HB      GLN  83   7.453  10.273  -7.506
  627    HG2  GLN  83           2HG      GLN  83   5.010  10.444  -7.749
  628    HG3  GLN  83           3HG      GLN  83   4.845  10.654  -6.010
  629   HE21  GLN  83          1HE2      GLN  83   7.177  12.415  -5.789
  630   HE22  GLN  83          2HE2      GLN  83   6.698  13.924  -6.457
  631    H    ASP  84           H        ASP  84   8.216   8.543  -4.440
  632    HA   ASP  84           HA       ASP  84  10.696   7.806  -5.562
  633    HB2  ASP  84           2HB      ASP  84  10.542   8.938  -3.372
  634    HB3  ASP  84           3HB      ASP  84   9.683   7.565  -2.690
  635    H    ALA  85           H        ALA  85   8.147   5.902  -3.988
  636    HA   ALA  85           HA       ALA  85   9.593   3.485  -3.785
  637    HB1  ALA  85           3HB      ALA  85   7.739   4.072  -2.284
  638    HB2  ALA  85           1HB      ALA  85   7.456   2.523  -3.078
  639    HB3  ALA  85           2HB      ALA  85   6.604   3.968  -3.633
  640    H    LYS  86           H        LYS  86   7.195   4.671  -6.183
  641    HA   LYS  86           HA       LYS  86   7.192   2.289  -7.703
  642    HB2  LYS  86           2HB      LYS  86   6.082   3.460  -9.477
  643    HB3  LYS  86           3HB      LYS  86   5.416   4.002  -7.949
  644    HG2  LYS  86           2HG      LYS  86   6.638   6.101  -8.108
  645    HG3  LYS  86           3HG      LYS  86   7.445   5.556  -9.582
  646    HD2  LYS  86           2HD      LYS  86   4.449   6.015  -9.254
  647    HD3  LYS  86           3HD      LYS  86   5.572   7.113 -10.057
  648    HE2  LYS  86           2HE      LYS  86   4.957   4.283 -10.956
  649    HE3  LYS  86           3HE      LYS  86   4.287   5.751 -11.655
  650    HZ1  LYS  86           3HZ      LYS  86   6.135   4.924 -12.945
  651    HZ2  LYS  86           1HZ      LYS  86   7.167   5.034 -11.613
  652    HZ3  LYS  86           2HZ      LYS  86   6.503   6.431 -12.287
  653    H    LEU  87           H        LEU  87   9.289   5.201  -7.970
  654    HA   LEU  87           HA       LEU  87  10.359   4.417 -10.500
  655    HB2  LEU  87           2HB      LEU  87  11.996   6.234 -10.265
  656    HB3  LEU  87           3HB      LEU  87  10.353   6.743  -9.965
  657    HG   LEU  87           HG       LEU  87  10.982   6.580  -7.431
  658   HD11  LEU  87          1HD1      LEU  87  13.128   5.440  -7.591
  659   HD12  LEU  87          2HD1      LEU  87  13.329   7.033  -6.871
  660   HD13  LEU  87          3HD1      LEU  87  13.790   6.764  -8.555
  661   HD21  LEU  87          3HD2      LEU  87  10.479   8.681  -8.562
  662   HD22  LEU  87          1HD2      LEU  87  12.140   8.794  -9.155
  663   HD23  LEU  87          2HD2      LEU  87  11.804   8.897  -7.424
  664    H    LYS  88           H        LYS  88  11.463   3.847  -7.183
  665    HA   LYS  88           HA       LYS  88  13.907   2.544  -7.891
  666    HB2  LYS  88           2HB      LYS  88  13.912   1.664  -5.569
  667    HB3  LYS  88           3HB      LYS  88  13.584   3.391  -5.621
  668    HG2  LYS  88           2HG      LYS  88  11.179   2.932  -5.300
  669    HG3  LYS  88           3HG      LYS  88  11.522   1.203  -5.231
  670    HD2  LYS  88           2HD      LYS  88  12.645   3.248  -3.285
  671    HD3  LYS  88           3HD      LYS  88  11.207   2.287  -3.006
  672    HE2  LYS  88           2HE      LYS  88  13.941   1.095  -3.491
  673    HE3  LYS  88           3HE      LYS  88  13.245   1.378  -1.893
  674    HZ1  LYS  88           3HZ      LYS  88  12.880  -0.883  -2.591
  675    HZ2  LYS  88           1HZ      LYS  88  12.093  -0.373  -3.998
  676    HZ3  LYS  88           2HZ      LYS  88  11.398  -0.080  -2.487
  677    H    ALA  89           H        ALA  89  10.594   1.346  -7.245
  678    HA   ALA  89           HA       ALA  89  11.147  -1.390  -7.576
  679    HB1  ALA  89           3HB      ALA  89   9.135  -0.583  -6.439
  680    HB2  ALA  89           1HB      ALA  89   8.694  -1.645  -7.775
  681    HB3  ALA  89           2HB      ALA  89   8.529   0.104  -7.944
  682    H    GLU  90           H        GLU  90  10.357   1.142  -9.946
  683    HA   GLU  90           HA       GLU  90  10.055  -0.519 -12.221
  684    HB2  GLU  90           2HB      GLU  90  10.960   2.383 -12.031
  685    HB3  GLU  90           3HB      GLU  90  10.678   1.549 -13.560
  686    HG2  GLU  90           2HG      GLU  90   8.317   1.151 -12.855
  687    HG3  GLU  90           3HG      GLU  90   8.615   2.116 -11.414
  688    H    GLY  91           H        GLY  91  12.839   0.758 -10.553
  689    HA2  GLY  91           2HA      GLY  91  14.907   0.145 -12.360
  690    HA3  GLY  91           3HA      GLY  91  15.062   0.282 -10.617
  691    H    LEU  92           H        LEU  92  12.933  -1.967 -10.455
  692    HA   LEU  92           HA       LEU  92  14.762  -4.182 -10.255
  693    HB2  LEU  92           2HB      LEU  92  11.731  -4.127  -9.969
  694    HB3  LEU  92           3HB      LEU  92  12.767  -5.476  -9.525
  695    HG   LEU  92           HG       LEU  92  12.701  -2.737  -8.203
  696   HD11  LEU  92          1HD1      LEU  92  11.883  -3.925  -6.217
  697   HD12  LEU  92          2HD1      LEU  92  11.859  -5.442  -7.120
  698   HD13  LEU  92          3HD1      LEU  92  10.788  -4.119  -7.586
  699   HD21  LEU  92          3HD2      LEU  92  15.000  -3.524  -8.224
  700   HD22  LEU  92          1HD2      LEU  92  14.515  -5.099  -7.582
  701   HD23  LEU  92          2HD2      LEU  92  14.347  -3.643  -6.596
  702    H    GLU  93           H        GLU  93  11.805  -3.629 -12.260
  703    HA   GLU  93           HA       GLU  93  12.847  -5.272 -14.444
  704    HB2  GLU  93           2HB      GLU  93  11.008  -6.916 -14.383
  705    HB3  GLU  93           3HB      GLU  93  11.966  -6.991 -12.907
  706    HG2  GLU  93           2HG      GLU  93  10.289  -5.800 -11.657
  707    HG3  GLU  93           3HG      GLU  93   9.370  -5.453 -13.118
  708    H    HIS  94           H        HIS  94  10.522  -2.985 -13.203
  709    HA   HIS  94           HA       HIS  94   8.742  -3.084 -15.488
  710    HB2  HIS  94           2HB      HIS  94   7.946  -2.562 -13.144
  711    HB3  HIS  94           3HB      HIS  94   8.781  -1.018 -13.249
  712    HD1  HIS  94           HD1      HIS  94   7.570   0.877 -14.420
  713    HD2  HIS  94           HD2      HIS  94   5.702  -2.793 -14.981
  714    HE1  HIS  94           HE1      HIS  94   5.391   1.405 -15.537
  715    HE2  HIS  94           HE2      HIS  94   4.240  -0.819 -15.789
  716    H    HIS  95           H        HIS  95  11.770  -1.974 -15.294
  717    HA   HIS  95           HA       HIS  95  13.117  -0.803 -16.637
  718    HB2  HIS  95           2HB      HIS  95  10.745  -0.202 -18.458
  719    HB3  HIS  95           3HB      HIS  95  12.451  -0.237 -18.900
  720    HD1  HIS  95           HD1      HIS  95   9.528  -2.163 -19.257
  721    HD2  HIS  95           HD2      HIS  95  13.475  -3.125 -18.399
  722    HE1  HIS  95           HE1      HIS  95   9.777  -4.580 -19.864
  723    HE2  HIS  95           HE2      HIS  95  12.135  -5.174 -19.225
  724    H    HIS  96           H        HIS  96  13.487   0.770 -15.074
  725    HA   HIS  96           HA       HIS  96  11.815   2.993 -14.588
  726    HB2  HIS  96           2HB      HIS  96  13.453   2.265 -12.907
  727    HB3  HIS  96           3HB      HIS  96  14.786   2.665 -13.987
  728    HD1  HIS  96           HD1      HIS  96  15.832   4.834 -13.406
  729    HD2  HIS  96           HD2      HIS  96  11.787   4.815 -12.473
  730    HE1  HIS  96           HE1      HIS  96  15.374   7.071 -12.389
  731    HE2  HIS  96           HE2      HIS  96  12.890   7.104 -11.993
  732    H    HIS  97           H        HIS  97  11.287   4.137 -16.382
  733    HA   HIS  97           HA       HIS  97  13.164   5.389 -18.133
  734    HB2  HIS  97           2HB      HIS  97  11.308   6.851 -18.793
  735    HB3  HIS  97           3HB      HIS  97  10.734   5.194 -18.675
  736    HD1  HIS  97           HD1      HIS  97   9.989   8.566 -17.546
  737    HD2  HIS  97           HD2      HIS  97   9.198   4.720 -16.184
  738    HE1  HIS  97           HE1      HIS  97   8.130   8.809 -15.886
  739    HE2  HIS  97           HE2      HIS  97   7.777   6.498 -14.970
  740    H    HIS  98           H        HIS  98  14.007   7.541 -17.978
  741    HA   HIS  98           HA       HIS  98  14.954   8.228 -15.403
  742    HB2  HIS  98           2HB      HIS  98  15.103   9.825 -17.994
  743    HB3  HIS  98           3HB      HIS  98  16.041  10.165 -16.546
  744    HD1  HIS  98           HD1      HIS  98  18.217   8.967 -16.307
  745    HD2  HIS  98           HD2      HIS  98  15.840   7.280 -19.263
  746    HE1  HIS  98           HE1      HIS  98  19.685   7.317 -17.490
  747    HE2  HIS  98           HE2      HIS  98  18.130   6.108 -19.047
  748    H    HIS  99           H        HIS  99  13.577  10.789 -17.429
  749    HA   HIS  99           HA       HIS  99  11.173  11.292 -16.227
  750    HB2  HIS  99           2HB      HIS  99  11.730  13.431 -14.860
  751    HB3  HIS  99           3HB      HIS  99  12.050  11.888 -14.094
  752    HD1  HIS  99           HD1      HIS  99  14.287  11.626 -13.066
  753    HD2  HIS  99           HD2      HIS  99  14.244  14.734 -15.822
  754    HE1  HIS  99           HE1      HIS  99  16.479  12.811 -12.777
  755    HE2  HIS  99           HE2      HIS  99  16.356  14.778 -14.340
  Start of MODEL    3
    1    H1   GLU   1           1H       GLU   1 -13.249   1.943  15.453
    2    H2   GLU   1           2H       GLU   1 -14.046   3.173  16.292
    3    H3   GLU   1           3H       GLU   1 -14.911   1.835  15.731
    4    HA   GLU   1           HA       GLU   1 -12.750   1.719  17.736
    5    HB2  GLU   1           2HB      GLU   1 -14.567   1.370  19.413
    6    HB3  GLU   1           3HB      GLU   1 -14.634   2.962  18.667
    7    HG2  GLU   1           2HG      GLU   1 -16.472   2.216  17.213
    8    HG3  GLU   1           3HG      GLU   1 -16.390   0.602  17.922
    9    H    ASP   2           H        ASP   2 -13.863   0.142  15.251
   10    HA   ASP   2           HA       ASP   2 -13.949  -2.563  16.453
   11    HB2  ASP   2           2HB      ASP   2 -15.257  -1.489  13.904
   12    HB3  ASP   2           3HB      ASP   2 -15.260  -3.189  14.369
   13    HA   PRO   3           HA       PRO   3 -10.435  -3.758  13.790
   14    HB2  PRO   3           2HB      PRO   3 -11.314  -6.194  12.787
   15    HB3  PRO   3           3HB      PRO   3 -10.629  -5.981  14.405
   16    HG2  PRO   3           2HG      PRO   3 -13.536  -6.043  13.577
   17    HG3  PRO   3           3HG      PRO   3 -12.744  -6.901  14.918
   18    HD2  PRO   3           2HD      PRO   3 -14.128  -4.670  15.386
   19    HD3  PRO   3           3HD      PRO   3 -12.583  -4.950  16.231
   20    H    GLU   4           H        GLU   4 -13.656  -3.368  12.646
   21    HA   GLU   4           HA       GLU   4 -13.138  -3.758   9.848
   22    HB2  GLU   4           2HB      GLU   4 -15.593  -2.649  11.260
   23    HB3  GLU   4           3HB      GLU   4 -15.513  -3.175   9.578
   24    HG2  GLU   4           2HG      GLU   4 -15.292  -4.892  12.073
   25    HG3  GLU   4           3HG      GLU   4 -16.565  -4.920  10.854
   26    H    ASP   5           H        ASP   5 -12.759  -1.116  11.988
   27    HA   ASP   5           HA       ASP   5 -13.047   1.072  10.202
   28    HB2  ASP   5           2HB      ASP   5 -11.248   0.694  12.642
   29    HB3  ASP   5           3HB      ASP   5 -11.417   2.224  11.788
   30    HA   PRO   6           HA       PRO   6  -9.803   0.160   7.220
   31    HB2  PRO   6           2HB      PRO   6  -9.109   2.852   6.598
   32    HB3  PRO   6           3HB      PRO   6 -10.326   1.865   5.781
   33    HG2  PRO   6           2HG      PRO   6 -10.674   3.910   7.946
   34    HG3  PRO   6           3HG      PRO   6 -11.736   3.534   6.572
   35    HD2  PRO   6           2HD      PRO   6 -12.341   2.724   9.058
   36    HD3  PRO   6           3HD      PRO   6 -12.692   1.690   7.659
   37    H    PHE   7           H        PHE   7  -9.054   2.729   9.611
   38    HA   PHE   7           HA       PHE   7  -6.261   2.528   9.558
   39    HB2  PHE   7           2HB      PHE   7  -7.595   4.376  10.620
   40    HB3  PHE   7           3HB      PHE   7  -7.974   3.294  11.952
   41    HD1  PHE   7           HD1      PHE   7  -5.230   5.126  10.247
   42    HD2  PHE   7           HD2      PHE   7  -6.352   2.916  13.736
   43    HE1  PHE   7           HE1      PHE   7  -3.151   5.819  11.362
   44    HE2  PHE   7           HE2      PHE   7  -4.270   3.623  14.837
   45    HZ   PHE   7           HZ       PHE   7  -2.668   5.070  13.653
   46    H    THR   8           H        THR   8  -8.637   0.745  11.478
   47    HA   THR   8           HA       THR   8  -6.808  -0.400  13.324
   48    HB   THR   8           HB       THR   8  -9.590  -1.444  12.651
   49    HG1  THR   8           HG1      THR   8 -10.332   0.056  14.165
   50   HG21  THR   8          3HG2      THR   8  -9.606  -2.154  15.029
   51   HG22  THR   8          1HG2      THR   8  -7.961  -1.543  15.230
   52   HG23  THR   8          2HG2      THR   8  -8.271  -2.909  14.157
   53    H    ARG   9           H        ARG   9  -8.456  -1.717  10.438
   54    HA   ARG   9           HA       ARG   9  -7.201  -4.312  10.606
   55    HB2  ARG   9           2HB      ARG   9  -8.322  -4.764   8.434
   56    HB3  ARG   9           3HB      ARG   9  -9.406  -4.209   9.704
   57    HG2  ARG   9           2HG      ARG   9  -9.038  -1.846   8.607
   58    HG3  ARG   9           3HG      ARG   9  -8.528  -2.792   7.207
   59    HD2  ARG   9           2HD      ARG   9 -11.225  -2.927   8.605
   60    HD3  ARG   9           3HD      ARG   9 -10.879  -2.226   7.023
   61    HE   ARG   9           HE       ARG   9 -10.597  -4.391   6.124
   62   HH11  ARG   9          1HH1      ARG   9 -11.545  -4.612   9.504
   63   HH12  ARG   9          2HH1      ARG   9 -12.235  -6.191   9.332
   64   HH21  ARG   9          1HH2      ARG   9 -11.469  -6.466   5.919
   65   HH22  ARG   9          2HH2      ARG   9 -12.153  -7.262   7.303
   66    H    TYR  10           H        TYR  10  -6.451  -1.313   8.942
   67    HA   TYR  10           HA       TYR  10  -4.270  -2.142   7.371
   68    HB2  TYR  10           2HB      TYR  10  -4.964   0.127   7.165
   69    HB3  TYR  10           3HB      TYR  10  -4.883   0.410   8.894
   70    HD1  TYR  10           HD2      TYR  10  -2.695  -0.207   5.895
   71    HD2  TYR  10           HD1      TYR  10  -2.961   1.434   9.833
   72    HE1  TYR  10           HE2      TYR  10  -0.477   0.822   5.629
   73    HE2  TYR  10           HE1      TYR  10  -0.750   2.460   9.559
   74    HH   TYR  10           HH       TYR  10   1.251   2.202   8.254
   75    H    ALA  11           H        ALA  11  -4.341  -1.108  10.777
   76    HA   ALA  11           HA       ALA  11  -1.642  -1.611  11.420
   77    HB1  ALA  11           3HB      ALA  11  -4.069  -1.596  13.251
   78    HB2  ALA  11           1HB      ALA  11  -3.118  -0.184  12.783
   79    HB3  ALA  11           2HB      ALA  11  -2.386  -1.452  13.764
   80    H    LEU  12           H        LEU  12  -4.530  -3.624  11.524
   81    HA   LEU  12           HA       LEU  12  -3.451  -5.914  12.802
   82    HB2  LEU  12           2HB      LEU  12  -5.851  -5.522  12.724
   83    HB3  LEU  12           3HB      LEU  12  -5.847  -5.537  10.971
   84    HG   LEU  12           HG       LEU  12  -5.335  -7.965  10.972
   85   HD11  LEU  12          1HD1      LEU  12  -5.405  -9.279  13.048
   86   HD12  LEU  12          2HD1      LEU  12  -5.483  -7.792  13.995
   87   HD13  LEU  12          3HD1      LEU  12  -4.047  -8.156  13.033
   88   HD21  LEU  12          3HD2      LEU  12  -7.694  -7.234  10.927
   89   HD22  LEU  12          1HD2      LEU  12  -7.746  -7.275  12.695
   90   HD23  LEU  12          2HD2      LEU  12  -7.508  -8.764  11.778
   91    H    ALA  13           H        ALA  13  -3.740  -4.930   9.407
   92    HA   ALA  13           HA       ALA  13  -2.830  -7.301   8.172
   93    HB1  ALA  13           3HB      ALA  13  -2.612  -4.440   7.172
   94    HB2  ALA  13           1HB      ALA  13  -3.983  -5.522   6.924
   95    HB3  ALA  13           2HB      ALA  13  -2.420  -5.896   6.190
   96    H    GLN  14           H        GLN  14  -1.133  -4.446   9.402
   97    HA   GLN  14           HA       GLN  14   1.517  -5.172   8.741
   98    HB2  GLN  14           2HB      GLN  14   0.407  -3.486  11.020
   99    HB3  GLN  14           3HB      GLN  14   2.125  -3.611  10.641
  100    HG2  GLN  14           2HG      GLN  14   1.778  -2.589   8.466
  101    HG3  GLN  14           3HG      GLN  14   0.028  -2.601   8.696
  102   HE21  GLN  14          1HE2      GLN  14   2.022  -0.377   8.287
  103   HE22  GLN  14          2HE2      GLN  14   1.678   0.737   9.556
  104    H    GLU  15           H        GLU  15  -0.553  -6.019  11.517
  105    HA   GLU  15           HA       GLU  15   1.445  -7.385  13.012
  106    HB2  GLU  15           2HB      GLU  15  -1.572  -7.802  13.085
  107    HB3  GLU  15           3HB      GLU  15  -0.425  -8.385  14.290
  108    HG2  GLU  15           2HG      GLU  15  -1.175  -5.512  13.690
  109    HG3  GLU  15           3HG      GLU  15  -1.518  -6.430  15.154
  110    H    HIS  16           H        HIS  16  -0.893  -8.499  10.556
  111    HA   HIS  16           HA       HIS  16  -0.189 -11.220  10.566
  112    HB2  HIS  16           2HB      HIS  16  -1.304  -9.490   8.333
  113    HB3  HIS  16           3HB      HIS  16  -1.049 -11.221   8.150
  114    HD1  HIS  16           HD1      HIS  16  -2.497 -12.778   9.782
  115    HD2  HIS  16           HD2      HIS  16  -3.683  -8.811   9.569
  116    HE1  HIS  16           HE1      HIS  16  -4.827 -12.720  10.708
  117    HE2  HIS  16           HE2      HIS  16  -5.420 -10.281  10.773
  118    H    LEU  17           H        LEU  17   1.250  -8.458   8.810
  119    HA   LEU  17           HA       LEU  17   3.092  -9.844   7.239
  120    HB2  LEU  17           2HB      LEU  17   3.208  -7.065   8.443
  121    HB3  LEU  17           3HB      LEU  17   4.454  -7.666   7.357
  122    HG   LEU  17           HG       LEU  17   1.509  -7.408   6.608
  123   HD11  LEU  17          1HD1      LEU  17   2.155  -5.489   5.237
  124   HD12  LEU  17          2HD1      LEU  17   3.811  -5.599   5.834
  125   HD13  LEU  17          3HD1      LEU  17   2.498  -5.186   6.940
  126   HD21  LEU  17          3HD2      LEU  17   2.282  -7.814   4.305
  127   HD22  LEU  17          1HD2      LEU  17   2.644  -9.185   5.352
  128   HD23  LEU  17          2HD2      LEU  17   3.929  -8.064   4.888
  129    H    LYS  18           H        LYS  18   3.555  -8.506  10.541
  130    HA   LYS  18           HA       LYS  18   6.248  -9.496  10.760
  131    HB2  LYS  18           2HB      LYS  18   6.153  -8.718  13.113
  132    HB3  LYS  18           3HB      LYS  18   5.621  -7.489  11.972
  133    HG2  LYS  18           2HG      LYS  18   3.272  -7.959  12.544
  134    HG3  LYS  18           3HG      LYS  18   3.794  -9.204  13.682
  135    HD2  LYS  18           2HD      LYS  18   3.235  -7.106  14.863
  136    HD3  LYS  18           3HD      LYS  18   4.947  -7.500  15.049
  137    HE2  LYS  18           2HE      LYS  18   4.616  -5.088  14.627
  138    HE3  LYS  18           3HE      LYS  18   5.530  -5.839  13.321
  139    HZ1  LYS  18           3HZ      LYS  18   3.812  -4.304  12.549
  140    HZ2  LYS  18           1HZ      LYS  18   2.617  -5.280  13.230
  141    HZ3  LYS  18           2HZ      LYS  18   3.572  -5.867  11.965
  142    H    HIS  19           H        HIS  19   3.141 -10.941  11.371
  143    HA   HIS  19           HA       HIS  19   4.333 -13.272  12.705
  144    HB2  HIS  19           2HB      HIS  19   1.486 -12.491  12.008
  145    HB3  HIS  19           3HB      HIS  19   1.869 -14.127  12.523
  146    HD1  HIS  19           HD1      HIS  19   1.413 -14.466  14.918
  147    HD2  HIS  19           HD2      HIS  19   2.591 -10.554  14.157
  148    HE1  HIS  19           HE1      HIS  19   1.332 -13.296  17.132
  149    HE2  HIS  19           HE2      HIS  19   2.171 -10.977  16.670
  150    H    ASP  20           H        ASP  20   4.529 -12.345   9.645
  151    HA   ASP  20           HA       ASP  20   5.192 -13.358   7.744
  152    HB2  ASP  20           2HB      ASP  20   6.470 -14.904   9.168
  153    HB3  ASP  20           3HB      ASP  20   5.054 -15.926   9.382
  154    H    ASN  21           H        ASN  21   2.182 -13.551   8.889
  155    HA   ASN  21           HA       ASN  21   0.927 -15.157   6.810
  156    HB2  ASN  21           2HB      ASN  21  -0.161 -13.451   9.084
  157    HB3  ASN  21           3HB      ASN  21  -1.217 -14.208   7.897
  158   HD21  ASN  21          1HD2      ASN  21   0.081 -16.671   7.590
  159   HD22  ASN  21          2HD2      ASN  21  -0.072 -17.555   9.062
  160    H    ALA  22           H        ALA  22   2.312 -13.684   5.372
  161    HA   ALA  22           HA       ALA  22   1.650 -10.987   4.856
  162    HB1  ALA  22           3HB      ALA  22   3.106 -12.994   3.100
  163    HB2  ALA  22           1HB      ALA  22   3.839 -11.937   4.310
  164    HB3  ALA  22           2HB      ALA  22   3.092 -11.247   2.873
  165    H    SER  23           H        SER  23   0.594 -14.030   3.337
  166    HA   SER  23           HA       SER  23  -0.906 -13.002   1.221
  167    HB2  SER  23           2HB      SER  23  -1.443 -15.543   2.811
  168    HB3  SER  23           3HB      SER  23  -2.084 -15.181   1.207
  169    HG   SER  23           HG       SER  23   0.695 -15.261   1.794
  170    H    ARG  24           H        ARG  24  -1.880 -13.505   4.635
  171    HA   ARG  24           HA       ARG  24  -4.648 -12.813   4.178
  172    HB2  ARG  24           2HB      ARG  24  -3.111 -12.965   6.809
  173    HB3  ARG  24           3HB      ARG  24  -4.860 -12.935   6.636
  174    HG2  ARG  24           2HG      ARG  24  -2.979 -15.165   5.828
  175    HG3  ARG  24           3HG      ARG  24  -4.194 -15.189   7.104
  176    HD2  ARG  24           2HD      ARG  24  -5.985 -15.044   5.419
  177    HD3  ARG  24           3HD      ARG  24  -4.772 -14.989   4.129
  178    HE   ARG  24           HE       ARG  24  -4.513 -17.304   5.833
  179   HH11  ARG  24          1HH1      ARG  24  -6.227 -16.096   3.007
  180   HH12  ARG  24          2HH1      ARG  24  -6.581 -17.680   2.397
  181   HH21  ARG  24          1HH2      ARG  24  -5.000 -19.367   5.026
  182   HH22  ARG  24          2HH2      ARG  24  -5.891 -19.530   3.546
  183    H    ALA  25           H        ALA  25  -1.736 -11.156   5.241
  184    HA   ALA  25           HA       ALA  25  -2.825  -8.614   5.893
  185    HB1  ALA  25           3HB      ALA  25  -0.540  -9.285   6.506
  186    HB2  ALA  25           1HB      ALA  25  -0.517  -7.796   5.563
  187    HB3  ALA  25           2HB      ALA  25  -0.077  -9.331   4.805
  188    H    LEU  26           H        LEU  26  -1.820 -10.147   2.907
  189    HA   LEU  26           HA       LEU  26  -1.745  -7.953   1.132
  190    HB2  LEU  26           2HB      LEU  26  -0.801 -10.247   0.680
  191    HB3  LEU  26           3HB      LEU  26  -2.434 -10.860   0.517
  192    HG   LEU  26           HG       LEU  26  -2.726  -9.257  -1.453
  193   HD11  LEU  26          1HD1      LEU  26   0.284  -8.976  -1.211
  194   HD12  LEU  26          2HD1      LEU  26  -0.900  -7.693  -0.963
  195   HD13  LEU  26          3HD1      LEU  26  -0.704  -8.408  -2.560
  196   HD21  LEU  26          3HD2      LEU  26  -2.347 -11.658  -1.807
  197   HD22  LEU  26          1HD2      LEU  26  -0.602 -11.409  -1.719
  198   HD23  LEU  26          2HD2      LEU  26  -1.529 -10.706  -3.046
  199    H    ALA  27           H        ALA  27  -4.227 -10.394   1.731
  200    HA   ALA  27           HA       ALA  27  -6.318  -9.445   0.185
  201    HB1  ALA  27           3HB      ALA  27  -6.473 -10.945   2.827
  202    HB2  ALA  27           1HB      ALA  27  -6.243 -11.672   1.234
  203    HB3  ALA  27           2HB      ALA  27  -7.754 -10.849   1.618
  204    H    LEU  28           H        LEU  28  -5.536  -8.589   3.584
  205    HA   LEU  28           HA       LEU  28  -7.749  -6.911   4.075
  206    HB2  LEU  28           2HB      LEU  28  -4.980  -7.011   5.308
  207    HB3  LEU  28           3HB      LEU  28  -6.200  -5.873   5.865
  208    HG   LEU  28           HG       LEU  28  -6.550  -8.906   5.919
  209   HD11  LEU  28          1HD1      LEU  28  -4.779  -8.205   7.476
  210   HD12  LEU  28          2HD1      LEU  28  -6.211  -8.755   8.343
  211   HD13  LEU  28          3HD1      LEU  28  -5.878  -7.026   8.203
  212   HD21  LEU  28          3HD2      LEU  28  -8.512  -8.458   7.316
  213   HD22  LEU  28          1HD2      LEU  28  -8.689  -7.646   5.763
  214   HD23  LEU  28          2HD2      LEU  28  -8.238  -6.717   7.199
  215    H    PHE  29           H        PHE  29  -4.467  -6.088   2.864
  216    HA   PHE  29           HA       PHE  29  -4.868  -3.282   2.772
  217    HB2  PHE  29           2HB      PHE  29  -2.875  -5.097   1.384
  218    HB3  PHE  29           3HB      PHE  29  -2.874  -3.362   1.139
  219    HD1  PHE  29           HD1      PHE  29  -3.109  -2.129   3.706
  220    HD2  PHE  29           HD2      PHE  29  -1.061  -5.755   2.708
  221    HE1  PHE  29           HE1      PHE  29  -1.577  -1.808   5.608
  222    HE2  PHE  29           HE2      PHE  29   0.446  -5.426   4.618
  223    HZ   PHE  29           HZ       PHE  29   0.194  -3.449   6.073
  224    H    GLU  30           H        GLU  30  -5.068  -5.788   0.230
  225    HA   GLU  30           HA       GLU  30  -5.750  -4.219  -1.977
  226    HB2  GLU  30           2HB      GLU  30  -6.553  -7.076  -1.314
  227    HB3  GLU  30           3HB      GLU  30  -6.724  -6.346  -2.902
  228    HG2  GLU  30           2HG      GLU  30  -4.271  -6.069  -3.035
  229    HG3  GLU  30           3HG      GLU  30  -4.107  -6.810  -1.442
  230    H    GLU  31           H        GLU  31  -7.755  -5.654   0.548
  231    HA   GLU  31           HA       GLU  31 -10.302  -4.963  -0.425
  232    HB2  GLU  31           2HB      GLU  31  -9.864  -6.600   1.397
  233    HB3  GLU  31           3HB      GLU  31  -9.357  -5.282   2.447
  234    HG2  GLU  31           2HG      GLU  31 -11.768  -4.327   1.973
  235    HG3  GLU  31           3HG      GLU  31 -12.133  -5.978   1.470
  236    H    LEU  32           H        LEU  32  -8.015  -3.277   1.725
  237    HA   LEU  32           HA       LEU  32  -9.597  -1.075   2.436
  238    HB2  LEU  32           2HB      LEU  32  -6.582  -1.365   2.236
  239    HB3  LEU  32           3HB      LEU  32  -7.350   0.082   2.869
  240    HG   LEU  32           HG       LEU  32  -7.627  -2.702   4.076
  241   HD11  LEU  32          1HD1      LEU  32  -6.016  -0.328   5.064
  242   HD12  LEU  32          2HD1      LEU  32  -5.353  -1.814   4.381
  243   HD13  LEU  32          3HD1      LEU  32  -6.229  -1.864   5.912
  244   HD21  LEU  32          3HD2      LEU  32  -8.655  -0.011   5.036
  245   HD22  LEU  32          1HD2      LEU  32  -8.707  -1.514   5.951
  246   HD23  LEU  32          2HD2      LEU  32  -9.630  -1.371   4.464
  247    H    VAL  33           H        VAL  33  -7.396  -1.503  -0.330
  248    HA   VAL  33           HA       VAL  33  -7.510   1.058  -1.443
  249    HB   VAL  33           HB       VAL  33  -7.187  -1.655  -2.814
  250   HG11  VAL  33          1HG1      VAL  33  -6.621   1.098  -3.982
  251   HG12  VAL  33          2HG1      VAL  33  -7.868  -0.028  -4.517
  252   HG13  VAL  33          3HG1      VAL  33  -6.167  -0.439  -4.733
  253   HG21  VAL  33          3HG2      VAL  33  -4.764  -1.115  -2.798
  254   HG22  VAL  33          1HG2      VAL  33  -5.431  -1.182  -1.165
  255   HG23  VAL  33          2HG2      VAL  33  -5.105   0.378  -1.922
  256    H    GLU  34           H        GLU  34  -9.460  -1.815  -2.317
  257    HA   GLU  34           HA       GLU  34 -11.042  -0.472  -4.241
  258    HB2  GLU  34           2HB      GLU  34 -12.379  -2.535  -4.328
  259    HB3  GLU  34           3HB      GLU  34 -10.651  -2.873  -4.357
  260    HG2  GLU  34           2HG      GLU  34 -10.765  -3.415  -1.911
  261    HG3  GLU  34           3HG      GLU  34 -12.511  -3.196  -1.977
  262    H    THR  35           H        THR  35 -11.628  -1.054  -0.745
  263    HA   THR  35           HA       THR  35 -14.399  -0.236  -0.895
  264    HB   THR  35           HB       THR  35 -14.377  -0.540   1.584
  265    HG1  THR  35           HG1      THR  35 -12.025  -1.738   1.929
  266   HG21  THR  35          3HG2      THR  35 -13.955  -2.978   1.631
  267   HG22  THR  35          1HG2      THR  35 -13.106  -2.870   0.086
  268   HG23  THR  35          2HG2      THR  35 -14.835  -2.519   0.171
  269    H    ASP  36           H        ASP  36 -11.309   1.135   0.165
  270    HA   ASP  36           HA       ASP  36 -12.549   3.803   0.439
  271    HB2  ASP  36           2HB      ASP  36 -12.242   2.706   2.732
  272    HB3  ASP  36           3HB      ASP  36 -10.508   2.735   2.438
  273    HA   PRO  37           HA       PRO  37  -8.874   4.024  -2.356
  274    HB2  PRO  37           2HB      PRO  37  -9.743   6.217  -3.782
  275    HB3  PRO  37           3HB      PRO  37 -10.273   4.564  -4.124
  276    HG2  PRO  37           2HG      PRO  37 -11.657   6.707  -2.522
  277    HG3  PRO  37           3HG      PRO  37 -12.334   5.621  -3.756
  278    HD2  PRO  37           2HD      PRO  37 -12.634   5.156  -1.100
  279    HD3  PRO  37           3HD      PRO  37 -12.473   3.819  -2.268
  280    H    ASP  38           H        ASP  38 -10.107   6.196  -0.001
  281    HA   ASP  38           HA       ASP  38  -8.291   8.400  -0.482
  282    HB2  ASP  38           2HB      ASP  38 -10.134   7.844   1.881
  283    HB3  ASP  38           3HB      ASP  38  -9.344   9.383   1.539
  284    H    TYR  39           H        TYR  39  -8.327   5.545   1.562
  285    HA   TYR  39           HA       TYR  39  -6.475   6.416   3.519
  286    HB2  TYR  39           2HB      TYR  39  -8.139   4.389   3.596
  287    HB3  TYR  39           3HB      TYR  39  -6.860   3.480   2.797
  288    HD1  TYR  39           HD2      TYR  39  -4.676   3.125   3.976
  289    HD2  TYR  39           HD1      TYR  39  -7.957   4.987   5.965
  290    HE1  TYR  39           HE2      TYR  39  -3.545   2.814   6.119
  291    HE2  TYR  39           HE1      TYR  39  -6.812   4.685   8.120
  292    HH   TYR  39           HH       TYR  39  -4.976   3.072   9.036
  293    H    VAL  40           H        VAL  40  -4.663   7.308   2.633
  294    HA   VAL  40           HA       VAL  40  -3.177   6.337   0.431
  295    HB   VAL  40           HB       VAL  40  -2.218   8.190   2.659
  296   HG11  VAL  40          1HG1      VAL  40  -0.666   9.103   0.949
  297   HG12  VAL  40          2HG1      VAL  40  -1.212   7.877  -0.197
  298   HG13  VAL  40          3HG1      VAL  40  -0.359   7.395   1.270
  299   HG21  VAL  40          3HG2      VAL  40  -2.949  10.064   1.228
  300   HG22  VAL  40          1HG2      VAL  40  -4.312   9.035   1.676
  301   HG23  VAL  40          2HG2      VAL  40  -3.616   8.922   0.057
  302    H    GLY  41           H        GLY  41  -2.941   5.740   3.896
  303    HA2  GLY  41           2HA      GLY  41  -0.322   4.821   4.185
  304    HA3  GLY  41           3HA      GLY  41  -1.673   4.365   5.208
  305    H    THR  42           H        THR  42  -3.191   3.094   3.110
  306    HA   THR  42           HA       THR  42  -2.334   0.451   3.261
  307    HB   THR  42           HB       THR  42  -4.222   1.770   1.260
  308    HG1  THR  42           HG1      THR  42  -5.704   1.530   2.764
  309   HG21  THR  42          3HG2      THR  42  -3.929  -1.163   1.991
  310   HG22  THR  42          1HG2      THR  42  -3.511  -0.434   0.435
  311   HG23  THR  42          2HG2      THR  42  -5.192  -0.478   0.965
  312    H    TYR  43           H        TYR  43  -2.050   2.795   0.594
  313    HA   TYR  43           HA       TYR  43  -1.356   0.999  -1.426
  314    HB2  TYR  43           2HB      TYR  43  -0.850   3.990  -1.214
  315    HB3  TYR  43           3HB      TYR  43  -0.629   3.056  -2.695
  316    HD1  TYR  43           HD2      TYR  43  -2.624   1.893  -3.733
  317    HD2  TYR  43           HD1      TYR  43  -3.075   4.708  -0.557
  318    HE1  TYR  43           HE2      TYR  43  -4.993   2.139  -4.284
  319    HE2  TYR  43           HE1      TYR  43  -5.457   4.941  -1.117
  320    HH   TYR  43           HH       TYR  43  -6.924   4.611  -3.023
  321    H    TYR  44           H        TYR  44   0.791   3.127   0.479
  322    HA   TYR  44           HA       TYR  44   3.234   2.419  -0.532
  323    HB2  TYR  44           2HB      TYR  44   2.648   4.209   1.209
  324    HB3  TYR  44           3HB      TYR  44   2.687   2.936   2.425
  325    HD1  TYR  44           HD2      TYR  44   4.792   4.519  -0.246
  326    HD2  TYR  44           HD1      TYR  44   4.783   2.425   3.486
  327    HE1  TYR  44           HE2      TYR  44   7.213   4.858  -0.042
  328    HE2  TYR  44           HE1      TYR  44   7.211   2.763   3.674
  329    HH   TYR  44           HH       TYR  44   8.933   4.934   1.693
  330    H    HIS  45           H        HIS  45   1.621   0.930   2.236
  331    HA   HIS  45           HA       HIS  45   3.647  -1.037   2.704
  332    HB2  HIS  45           2HB      HIS  45   0.839  -0.765   3.860
  333    HB3  HIS  45           3HB      HIS  45   2.031  -1.937   4.425
  334    HD1  HIS  45           HD1      HIS  45   3.342  -1.129   6.400
  335    HD2  HIS  45           HD2      HIS  45   2.065   2.020   4.017
  336    HE1  HIS  45           HE1      HIS  45   4.150   0.961   7.540
  337    HE2  HIS  45           HE2      HIS  45   3.230   2.848   6.158
  338    H    LEU  46           H        LEU  46   0.711  -1.079   0.824
  339    HA   LEU  46           HA       LEU  46   0.549  -3.935   0.466
  340    HB2  LEU  46           2HB      LEU  46  -1.486  -2.594   0.266
  341    HB3  LEU  46           3HB      LEU  46  -0.777  -1.637  -1.026
  342    HG   LEU  46           HG       LEU  46  -0.804  -3.595  -2.536
  343   HD11  LEU  46          1HD1      LEU  46  -0.470  -5.411  -0.906
  344   HD12  LEU  46          2HD1      LEU  46  -1.866  -5.713  -1.937
  345   HD13  LEU  46          3HD1      LEU  46  -2.100  -5.158  -0.282
  346   HD21  LEU  46          3HD2      LEU  46  -3.222  -3.829  -2.842
  347   HD22  LEU  46          1HD2      LEU  46  -2.783  -2.153  -2.511
  348   HD23  LEU  46          2HD2      LEU  46  -3.503  -3.144  -1.241
  349    H    GLY  47           H        GLY  47   1.898  -1.182  -1.312
  350    HA2  GLY  47           2HA      GLY  47   2.650  -2.579  -3.679
  351    HA3  GLY  47           3HA      GLY  47   3.266  -1.024  -3.138
  352    H    LYS  48           H        LYS  48   4.334  -1.736  -0.670
  353    HA   LYS  48           HA       LYS  48   6.875  -2.780  -1.177
  354    HB2  LYS  48           2HB      LYS  48   5.271  -2.618   1.413
  355    HB3  LYS  48           3HB      LYS  48   6.965  -3.107   1.367
  356    HG2  LYS  48           2HG      LYS  48   5.915  -0.417   0.426
  357    HG3  LYS  48           3HG      LYS  48   6.637  -0.728   2.005
  358    HD2  LYS  48           2HD      LYS  48   8.748  -1.406   0.879
  359    HD3  LYS  48           3HD      LYS  48   8.027  -1.034  -0.688
  360    HE2  LYS  48           2HE      LYS  48   7.905   1.315  -0.148
  361    HE3  LYS  48           3HE      LYS  48   8.347   1.007   1.535
  362    HZ1  LYS  48           3HZ      LYS  48  10.081   0.597  -0.830
  363    HZ2  LYS  48           1HZ      LYS  48  10.498   0.217   0.764
  364    HZ3  LYS  48           2HZ      LYS  48  10.222   1.824   0.323
  365    H    LEU  49           H        LEU  49   3.964  -4.309   0.085
  366    HA   LEU  49           HA       LEU  49   5.025  -6.884   0.575
  367    HB2  LEU  49           2HB      LEU  49   2.957  -6.030   1.593
  368    HB3  LEU  49           3HB      LEU  49   2.162  -6.020   0.028
  369    HG   LEU  49           HG       LEU  49   2.104  -8.441  -0.056
  370   HD11  LEU  49          1HD1      LEU  49   3.760  -8.492   2.497
  371   HD12  LEU  49          2HD1      LEU  49   4.324  -8.962   0.890
  372   HD13  LEU  49          3HD1      LEU  49   3.056  -9.890   1.681
  373   HD21  LEU  49          3HD2      LEU  49   0.342  -7.362   1.274
  374   HD22  LEU  49          1HD2      LEU  49   1.334  -7.510   2.729
  375   HD23  LEU  49          2HD2      LEU  49   0.731  -8.957   1.915
  376    H    TYR  50           H        TYR  50   3.356  -5.503  -2.243
  377    HA   TYR  50           HA       TYR  50   3.312  -7.727  -3.919
  378    HB2  TYR  50           2HB      TYR  50   3.475  -4.756  -4.512
  379    HB3  TYR  50           3HB      TYR  50   3.490  -5.933  -5.820
  380    HD1  TYR  50           HD2      TYR  50   1.504  -7.939  -4.728
  381    HD2  TYR  50           HD1      TYR  50   1.370  -3.665  -4.880
  382    HE1  TYR  50           HE2      TYR  50  -0.949  -8.011  -4.769
  383    HE2  TYR  50           HE1      TYR  50  -1.082  -3.753  -4.932
  384    HH   TYR  50           HH       TYR  50  -2.838  -6.592  -4.241
  385    H    GLU  51           H        GLU  51   5.922  -5.309  -3.509
  386    HA   GLU  51           HA       GLU  51   7.664  -6.332  -5.485
  387    HB2  GLU  51           2HB      GLU  51   8.348  -4.756  -2.979
  388    HB3  GLU  51           3HB      GLU  51   9.439  -5.018  -4.341
  389    HG2  GLU  51           2HG      GLU  51   7.804  -3.813  -5.806
  390    HG3  GLU  51           3HG      GLU  51   6.828  -3.467  -4.383
  391    H    ARG  52           H        ARG  52   7.212  -7.230  -2.103
  392    HA   ARG  52           HA       ARG  52   9.416  -8.987  -1.771
  393    HB2  ARG  52           2HB      ARG  52   6.656  -9.178  -0.494
  394    HB3  ARG  52           3HB      ARG  52   8.108  -9.996   0.077
  395    HG2  ARG  52           2HG      ARG  52   9.118  -7.838   0.665
  396    HG3  ARG  52           3HG      ARG  52   7.721  -6.987   0.005
  397    HD2  ARG  52           2HD      ARG  52   6.280  -8.170   1.694
  398    HD3  ARG  52           3HD      ARG  52   7.752  -8.839   2.412
  399    HE   ARG  52           HE       ARG  52   7.696  -5.947   2.188
  400   HH11  ARG  52          1HH1      ARG  52   6.908  -8.671   4.257
  401   HH12  ARG  52          2HH1      ARG  52   6.931  -7.726   5.705
  402   HH21  ARG  52          1HH2      ARG  52   7.680  -4.723   4.100
  403   HH22  ARG  52          2HH2      ARG  52   7.364  -5.497   5.618
  404    H    LEU  53           H        LEU  53   6.147  -9.419  -3.038
  405    HA   LEU  53           HA       LEU  53   6.404 -12.312  -3.387
  406    HB2  LEU  53           2HB      LEU  53   4.091 -10.441  -4.028
  407    HB3  LEU  53           3HB      LEU  53   4.018 -12.197  -3.977
  408    HG   LEU  53           HG       LEU  53   4.510 -10.377  -1.580
  409   HD11  LEU  53          1HD1      LEU  53   2.038 -11.989  -2.289
  410   HD12  LEU  53          2HD1      LEU  53   2.194 -10.232  -2.353
  411   HD13  LEU  53          3HD1      LEU  53   2.288 -11.064  -0.805
  412   HD21  LEU  53          3HD2      LEU  53   5.688 -12.500  -1.265
  413   HD22  LEU  53          1HD2      LEU  53   4.221 -13.404  -1.657
  414   HD23  LEU  53          2HD2      LEU  53   4.293 -12.421  -0.193
  415    H    ASP  54           H        ASP  54   7.864 -10.157  -5.071
  416    HA   ASP  54           HA       ASP  54   8.702  -9.902  -7.136
  417    HB2  ASP  54           2HB      ASP  54   8.830 -12.414  -7.090
  418    HB3  ASP  54           3HB      ASP  54   7.252 -12.487  -7.861
  419    H    ARG  55           H        ARG  55   5.718  -9.268  -6.458
  420    HA   ARG  55           HA       ARG  55   4.481  -8.917  -9.084
  421    HB2  ARG  55           2HB      ARG  55   3.443  -8.221  -6.298
  422    HB3  ARG  55           3HB      ARG  55   2.491  -8.209  -7.779
  423    HG2  ARG  55           2HG      ARG  55   3.719 -10.656  -6.453
  424    HG3  ARG  55           3HG      ARG  55   2.012 -10.196  -6.430
  425    HD2  ARG  55           2HD      ARG  55   3.626 -10.959  -8.891
  426    HD3  ARG  55           3HD      ARG  55   2.430 -11.972  -8.075
  427    HE   ARG  55           HE       ARG  55   1.455  -9.405  -8.997
  428   HH11  ARG  55          1HH1      ARG  55   1.779 -12.808  -9.809
  429   HH12  ARG  55          2HH1      ARG  55   0.576 -12.728 -11.058
  430   HH21  ARG  55          1HH2      ARG  55  -0.100  -9.316 -10.591
  431   HH22  ARG  55          2HH2      ARG  55  -0.490 -10.739 -11.515
  432    H    THR  56           H        THR  56   6.662  -7.453  -9.167
  433    HA   THR  56           HA       THR  56   6.773  -4.930  -7.938
  434    HB   THR  56           HB       THR  56   8.043  -5.783 -10.579
  435    HG1  THR  56           HG1      THR  56   9.555  -6.759  -9.400
  436   HG21  THR  56          3HG2      THR  56   9.801  -4.155 -10.025
  437   HG22  THR  56          1HG2      THR  56   8.948  -3.704  -8.546
  438   HG23  THR  56          2HG2      THR  56   8.236  -3.347 -10.120
  439    H    ASP  57           H        ASP  57   5.338  -5.998 -10.997
  440    HA   ASP  57           HA       ASP  57   4.762  -3.449 -12.114
  441    HB2  ASP  57           2HB      ASP  57   4.762  -5.539 -13.454
  442    HB3  ASP  57           3HB      ASP  57   3.362  -6.120 -12.561
  443    H    ASP  58           H        ASP  58   2.874  -5.673 -10.098
  444    HA   ASP  58           HA       ASP  58   0.436  -4.260  -9.980
  445    HB2  ASP  58           2HB      ASP  58   1.678  -6.084  -7.871
  446    HB3  ASP  58           3HB      ASP  58  -0.023  -5.624  -7.952
  447    H    ALA  59           H        ALA  59   3.397  -4.109  -8.078
  448    HA   ALA  59           HA       ALA  59   2.631  -2.298  -6.080
  449    HB1  ALA  59           3HB      ALA  59   4.695  -3.623  -5.955
  450    HB2  ALA  59           1HB      ALA  59   5.040  -1.904  -5.768
  451    HB3  ALA  59           2HB      ALA  59   5.379  -2.710  -7.301
  452    H    ILE  60           H        ILE  60   4.056  -1.721  -9.332
  453    HA   ILE  60           HA       ILE  60   4.429   1.025  -9.269
  454    HB   ILE  60           HB       ILE  60   3.442  -0.528 -11.707
  455   HG12  ILE  60          2HG1      ILE  60   5.426  -1.663 -10.864
  456   HG13  ILE  60          3HG1      ILE  60   5.890  -0.761 -12.299
  457   HG21  ILE  60          1HG2      ILE  60   3.314   1.888 -12.069
  458   HG22  ILE  60          2HG2      ILE  60   4.611   1.207 -13.049
  459   HG23  ILE  60          3HG2      ILE  60   4.996   2.087 -11.568
  460   HD11  ILE  60          3HD1      ILE  60   7.574  -0.581 -10.603
  461   HD12  ILE  60          1HD1      ILE  60   6.405   0.041  -9.440
  462   HD13  ILE  60          2HD1      ILE  60   6.832   0.996 -10.864
  463    H    ASP  61           H        ASP  61   1.463  -0.736 -10.195
  464    HA   ASP  61           HA       ASP  61  -0.072   1.584 -10.830
  465    HB2  ASP  61           2HB      ASP  61  -0.617  -0.636 -11.770
  466    HB3  ASP  61           3HB      ASP  61  -1.018  -1.235 -10.164
  467    H    THR  62           H        THR  62   0.203  -0.452  -7.933
  468    HA   THR  62           HA       THR  62  -1.853   0.770  -6.405
  469    HB   THR  62           HB       THR  62   0.574  -0.835  -5.500
  470    HG1  THR  62           HG1      THR  62  -0.580  -2.312  -6.477
  471   HG21  THR  62          3HG2      THR  62  -1.969  -0.183  -3.948
  472   HG22  THR  62          1HG2      THR  62  -0.349   0.406  -3.571
  473   HG23  THR  62          2HG2      THR  62  -0.716  -1.313  -3.429
  474    H    TYR  63           H        TYR  63   1.598   1.453  -6.693
  475    HA   TYR  63           HA       TYR  63   1.736   3.471  -4.693
  476    HB2  TYR  63           2HB      TYR  63   3.554   2.808  -7.036
  477    HB3  TYR  63           3HB      TYR  63   3.877   4.162  -5.956
  478    HD1  TYR  63           HD1      TYR  63   3.148   2.963  -3.305
  479    HD2  TYR  63           HD2      TYR  63   5.357   1.299  -6.563
  480    HE1  TYR  63           HE1      TYR  63   4.377   1.539  -1.743
  481    HE2  TYR  63           HE2      TYR  63   6.581  -0.139  -4.984
  482    HH   TYR  63           HH       TYR  63   7.111  -0.328  -2.703
  483    H    ALA  64           H        ALA  64   1.265   3.513  -8.222
  484    HA   ALA  64           HA       ALA  64   1.055   6.266  -8.651
  485    HB1  ALA  64           3HB      ALA  64  -0.340   4.018 -10.138
  486    HB2  ALA  64           1HB      ALA  64   1.293   4.611 -10.457
  487    HB3  ALA  64           2HB      ALA  64  -0.099   5.660 -10.737
  488    H    GLN  65           H        GLN  65  -1.466   3.900  -7.826
  489    HA   GLN  65           HA       GLN  65  -3.724   5.567  -7.790
  490    HB2  GLN  65           2HB      GLN  65  -3.077   3.029  -6.232
  491    HB3  GLN  65           3HB      GLN  65  -4.643   3.823  -6.122
  492    HG2  GLN  65           2HG      GLN  65  -3.553   2.959  -8.800
  493    HG3  GLN  65           3HG      GLN  65  -4.331   1.798  -7.731
  494   HE21  GLN  65          1HE2      GLN  65  -5.429   5.176  -8.051
  495   HE22  GLN  65          2HE2      GLN  65  -6.928   4.776  -8.786
  496    H    GLY  66           H        GLY  66  -1.379   4.677  -5.335
  497    HA2  GLY  66           2HA      GLY  66  -2.248   6.101  -3.116
  498    HA3  GLY  66           3HA      GLY  66  -0.579   5.693  -3.479
  499    H    ILE  67           H        ILE  67  -0.069   7.137  -5.744
  500    HA   ILE  67           HA       ILE  67   0.796   9.585  -4.756
  501    HB   ILE  67           HB       ILE  67   0.433   8.552  -7.593
  502   HG12  ILE  67          2HG1      ILE  67   2.982   8.996  -5.971
  503   HG13  ILE  67          3HG1      ILE  67   2.159   7.449  -6.110
  504   HG21  ILE  67          1HG2      ILE  67   1.833  11.135  -6.850
  505   HG22  ILE  67          2HG2      ILE  67   0.341  10.993  -7.770
  506   HG23  ILE  67          3HG2      ILE  67   1.847  10.389  -8.455
  507   HD11  ILE  67          3HD1      ILE  67   2.592   7.440  -8.512
  508   HD12  ILE  67          1HD1      ILE  67   4.077   7.570  -7.567
  509   HD13  ILE  67          2HD1      ILE  67   3.419   8.994  -8.369
  510    H    GLU  68           H        GLU  68  -2.018   8.865  -6.766
  511    HA   GLU  68           HA       GLU  68  -2.875  11.489  -7.333
  512    HB2  GLU  68           2HB      GLU  68  -4.598   8.992  -7.106
  513    HB3  GLU  68           3HB      GLU  68  -4.985  10.456  -8.015
  514    HG2  GLU  68           2HG      GLU  68  -3.120  10.005  -9.554
  515    HG3  GLU  68           3HG      GLU  68  -2.679   8.578  -8.622
  516    H    VAL  69           H        VAL  69  -3.748   9.209  -4.769
  517    HA   VAL  69           HA       VAL  69  -5.575  11.103  -3.490
  518    HB   VAL  69           HB       VAL  69  -6.117   9.348  -1.881
  519   HG11  VAL  69          1HG1      VAL  69  -7.288   9.319  -4.059
  520   HG12  VAL  69          2HG1      VAL  69  -7.105   7.683  -3.427
  521   HG13  VAL  69          3HG1      VAL  69  -6.052   8.249  -4.726
  522   HG21  VAL  69          3HG2      VAL  69  -5.114   7.085  -1.991
  523   HG22  VAL  69          1HG2      VAL  69  -3.901   8.305  -1.596
  524   HG23  VAL  69          2HG2      VAL  69  -3.986   7.645  -3.229
  525    H    ALA  70           H        ALA  70  -2.233  10.381  -3.306
  526    HA   ALA  70           HA       ALA  70  -1.784  10.798  -0.499
  527    HB1  ALA  70           3HB      ALA  70   0.178  10.882  -2.806
  528    HB2  ALA  70           1HB      ALA  70  -0.255   9.459  -1.854
  529    HB3  ALA  70           2HB      ALA  70   0.597  10.801  -1.092
  530    H    ARG  71           H        ARG  71  -1.332  12.753  -3.405
  531    HA   ARG  71           HA       ARG  71  -0.353  15.098  -2.182
  532    HB2  ARG  71           2HB      ARG  71  -1.077  16.217  -4.338
  533    HB3  ARG  71           3HB      ARG  71  -0.067  14.793  -4.553
  534    HG2  ARG  71           2HG      ARG  71  -2.086  13.447  -5.055
  535    HG3  ARG  71           3HG      ARG  71  -3.082  14.893  -4.884
  536    HD2  ARG  71           2HD      ARG  71  -1.874  15.928  -6.793
  537    HD3  ARG  71           3HD      ARG  71  -0.904  14.461  -6.962
  538    HE   ARG  71           HE       ARG  71  -2.773  13.307  -7.783
  539   HH11  ARG  71          1HH1      ARG  71  -3.648  16.645  -7.080
  540   HH12  ARG  71          2HH1      ARG  71  -5.098  16.581  -8.027
  541   HH21  ARG  71          1HH2      ARG  71  -4.694  13.242  -8.996
  542   HH22  ARG  71          2HH2      ARG  71  -5.688  14.660  -9.110
  543    H    GLU  72           H        GLU  72  -3.661  13.939  -2.665
  544    HA   GLU  72           HA       GLU  72  -4.853  16.502  -1.934
  545    HB2  GLU  72           2HB      GLU  72  -6.160  13.846  -2.650
  546    HB3  GLU  72           3HB      GLU  72  -6.989  15.393  -2.475
  547    HG2  GLU  72           2HG      GLU  72  -4.975  14.621  -4.613
  548    HG3  GLU  72           3HG      GLU  72  -6.703  14.906  -4.822
  549    H    GLU  73           H        GLU  73  -5.001  13.158  -0.708
  550    HA   GLU  73           HA       GLU  73  -6.561  13.869   1.619
  551    HB2  GLU  73           2HB      GLU  73  -5.311  11.188   0.881
  552    HB3  GLU  73           3HB      GLU  73  -6.536  11.454   2.124
  553    HG2  GLU  73           2HG      GLU  73  -6.871  11.798  -0.871
  554    HG3  GLU  73           3HG      GLU  73  -7.542  10.505   0.124
  555    H    GLY  74           H        GLY  74  -3.227  12.736   0.966
  556    HA2  GLY  74           2HA      GLY  74  -2.503  13.091   3.809
  557    HA3  GLY  74           3HA      GLY  74  -1.566  12.258   2.572
  558    H    THR  75           H        THR  75   0.148  13.675   3.553
  559    HA   THR  75           HA       THR  75   0.171  16.447   2.572
  560    HB   THR  75           HB       THR  75   2.311  16.647   3.816
  561    HG1  THR  75           HG1      THR  75   2.009  13.876   3.997
  562   HG21  THR  75          3HG2      THR  75   0.137  15.361   5.527
  563   HG22  THR  75          1HG2      THR  75   0.192  17.063   5.050
  564   HG23  THR  75          2HG2      THR  75   1.442  16.401   6.103
  565    H    GLN  76           H        GLN  76   2.509  17.073   1.690
  566    HA   GLN  76           HA       GLN  76   2.934  15.845  -0.825
  567    HB2  GLN  76           2HB      GLN  76   3.474  18.230  -0.236
  568    HB3  GLN  76           3HB      GLN  76   4.819  17.661   0.745
  569    HG2  GLN  76           2HG      GLN  76   5.891  16.729  -1.292
  570    HG3  GLN  76           3HG      GLN  76   4.545  17.325  -2.262
  571   HE21  GLN  76          1HE2      GLN  76   4.342  19.578  -2.599
  572   HE22  GLN  76          2HE2      GLN  76   5.666  20.659  -2.344
  573    H    LYS  77           H        LYS  77   4.174  15.150   2.337
  574    HA   LYS  77           HA       LYS  77   6.507  13.686   1.730
  575    HB2  LYS  77           2HB      LYS  77   6.121  14.379   3.984
  576    HB3  LYS  77           3HB      LYS  77   4.548  13.592   4.047
  577    HG2  LYS  77           2HG      LYS  77   5.594  11.393   4.048
  578    HG3  LYS  77           3HG      LYS  77   7.195  12.113   3.847
  579    HD2  LYS  77           2HD      LYS  77   7.087  13.119   6.056
  580    HD3  LYS  77           3HD      LYS  77   5.395  12.637   6.246
  581    HE2  LYS  77           2HE      LYS  77   7.013  11.176   7.486
  582    HE3  LYS  77           3HE      LYS  77   5.998  10.306   6.338
  583    HZ1  LYS  77           3HZ      LYS  77   8.774  11.187   5.757
  584    HZ2  LYS  77           1HZ      LYS  77   7.795  10.185   4.799
  585    HZ3  LYS  77           2HZ      LYS  77   8.357   9.641   6.300
  586    H    ASP  78           H        ASP  78   3.144  12.589   2.230
  587    HA   ASP  78           HA       ASP  78   3.390   9.845   1.749
  588    HB2  ASP  78           2HB      ASP  78   1.052  11.689   1.034
  589    HB3  ASP  78           3HB      ASP  78   0.961   9.930   1.107
  590    H    LEU  79           H        LEU  79   2.650  12.501  -0.445
  591    HA   LEU  79           HA       LEU  79   2.437  11.243  -2.903
  592    HB2  LEU  79           2HB      LEU  79   1.820  13.569  -2.497
  593    HB3  LEU  79           3HB      LEU  79   3.480  13.991  -2.127
  594    HG   LEU  79           HG       LEU  79   4.077  13.507  -4.545
  595   HD11  LEU  79          1HD1      LEU  79   1.069  13.341  -4.915
  596   HD12  LEU  79          2HD1      LEU  79   2.220  12.014  -5.111
  597   HD13  LEU  79          3HD1      LEU  79   2.275  13.395  -6.203
  598   HD21  LEU  79          3HD2      LEU  79   1.987  15.675  -4.107
  599   HD22  LEU  79          1HD2      LEU  79   3.180  15.620  -5.409
  600   HD23  LEU  79          2HD2      LEU  79   3.709  15.815  -3.740
  601    H    SER  80           H        SER  80   5.298  12.517  -1.271
  602    HA   SER  80           HA       SER  80   7.159  12.198  -3.366
  603    HB2  SER  80           2HB      SER  80   7.499  13.784  -1.512
  604    HB3  SER  80           3HB      SER  80   7.644  12.447  -0.371
  605    HG   SER  80           HG       SER  80   9.518  13.533  -1.984
  606    H    GLU  81           H        GLU  81   6.284  10.142  -0.618
  607    HA   GLU  81           HA       GLU  81   8.419   8.266  -0.904
  608    HB2  GLU  81           2HB      GLU  81   5.777   8.087   0.597
  609    HB3  GLU  81           3HB      GLU  81   7.060   6.884   0.712
  610    HG2  GLU  81           2HG      GLU  81   8.602   8.606   1.610
  611    HG3  GLU  81           3HG      GLU  81   7.314   9.806   1.508
  612    H    LEU  82           H        LEU  82   5.070   8.339  -2.028
  613    HA   LEU  82           HA       LEU  82   5.058   5.666  -3.081
  614    HB2  LEU  82           2HB      LEU  82   3.220   8.042  -3.476
  615    HB3  LEU  82           3HB      LEU  82   2.889   6.445  -4.135
  616    HG   LEU  82           HG       LEU  82   3.340   6.829  -1.149
  617   HD11  LEU  82          1HD1      LEU  82   1.507   8.322  -1.726
  618   HD12  LEU  82          2HD1      LEU  82   0.933   6.943  -0.796
  619   HD13  LEU  82          3HD1      LEU  82   0.668   7.001  -2.537
  620   HD21  LEU  82          3HD2      LEU  82   3.472   4.533  -2.017
  621   HD22  LEU  82          1HD2      LEU  82   1.851   4.686  -2.704
  622   HD23  LEU  82          2HD2      LEU  82   2.085   4.743  -0.953
  623    H    GLN  83           H        GLN  83   5.642   8.873  -4.463
  624    HA   GLN  83           HA       GLN  83   6.027   8.148  -7.175
  625    HB2  GLN  83           2HB      GLN  83   7.139  10.433  -5.497
  626    HB3  GLN  83           3HB      GLN  83   7.498  10.273  -7.213
  627    HG2  GLN  83           2HG      GLN  83   5.176  10.545  -7.804
  628    HG3  GLN  83           3HG      GLN  83   4.686  10.477  -6.112
  629   HE21  GLN  83          1HE2      GLN  83   6.808  12.213  -5.140
  630   HE22  GLN  83          2HE2      GLN  83   6.412  13.806  -5.663
  631    H    ASP  84           H        ASP  84   8.308   8.493  -4.482
  632    HA   ASP  84           HA       ASP  84  10.720   7.819  -5.718
  633    HB2  ASP  84           2HB      ASP  84  10.715   8.837  -3.526
  634    HB3  ASP  84           3HB      ASP  84   9.753   7.539  -2.842
  635    H    ALA  85           H        ALA  85   8.276   5.800  -4.168
  636    HA   ALA  85           HA       ALA  85   9.751   3.384  -4.138
  637    HB1  ALA  85           3HB      ALA  85   7.910   3.866  -2.577
  638    HB2  ALA  85           1HB      ALA  85   7.655   2.347  -3.434
  639    HB3  ALA  85           2HB      ALA  85   6.756   3.791  -3.909
  640    H    LYS  86           H        LYS  86   7.166   4.592  -6.363
  641    HA   LYS  86           HA       LYS  86   7.154   2.210  -7.929
  642    HB2  LYS  86           2HB      LYS  86   5.784   3.334  -9.557
  643    HB3  LYS  86           3HB      LYS  86   5.229   3.762  -7.950
  644    HG2  LYS  86           2HG      LYS  86   6.086   5.973  -8.114
  645    HG3  LYS  86           3HG      LYS  86   7.039   5.586  -9.549
  646    HD2  LYS  86           2HD      LYS  86   3.990   5.628  -9.426
  647    HD3  LYS  86           3HD      LYS  86   4.996   6.931 -10.066
  648    HE2  LYS  86           2HE      LYS  86   5.870   5.362 -11.800
  649    HE3  LYS  86           3HE      LYS  86   4.794   4.106 -11.188
  650    HZ1  LYS  86           3HZ      LYS  86   3.974   6.692 -12.391
  651    HZ2  LYS  86           1HZ      LYS  86   2.910   5.551 -11.741
  652    HZ3  LYS  86           2HZ      LYS  86   3.838   5.165 -13.099
  653    H    LEU  87           H        LEU  87   8.976   5.285  -8.314
  654    HA   LEU  87           HA       LEU  87   9.930   4.658 -10.923
  655    HB2  LEU  87           2HB      LEU  87  11.478   6.547 -10.717
  656    HB3  LEU  87           3HB      LEU  87   9.856   6.958 -10.216
  657    HG   LEU  87           HG       LEU  87  10.765   6.640  -7.774
  658   HD11  LEU  87          1HD1      LEU  87  13.142   7.198  -7.466
  659   HD12  LEU  87          2HD1      LEU  87  13.399   7.055  -9.206
  660   HD13  LEU  87          3HD1      LEU  87  12.927   5.641  -8.264
  661   HD21  LEU  87          3HD2      LEU  87  10.052   8.793  -8.715
  662   HD22  LEU  87          1HD2      LEU  87  11.652   9.022  -9.430
  663   HD23  LEU  87          2HD2      LEU  87  11.460   8.980  -7.674
  664    H    LYS  88           H        LYS  88  11.289   4.011  -7.711
  665    HA   LYS  88           HA       LYS  88  13.722   2.882  -8.776
  666    HB2  LYS  88           2HB      LYS  88  14.266   2.229  -6.498
  667    HB3  LYS  88           3HB      LYS  88  13.690   3.882  -6.539
  668    HG2  LYS  88           2HG      LYS  88  12.637   3.132  -4.633
  669    HG3  LYS  88           3HG      LYS  88  11.381   2.804  -5.828
  670    HD2  LYS  88           2HD      LYS  88  12.195   0.433  -5.952
  671    HD3  LYS  88           3HD      LYS  88  13.347   0.794  -4.661
  672    HE2  LYS  88           2HE      LYS  88  11.472   1.324  -3.142
  673    HE3  LYS  88           3HE      LYS  88  10.320   0.995  -4.437
  674    HZ1  LYS  88           3HZ      LYS  88  12.130  -0.942  -3.118
  675    HZ2  LYS  88           1HZ      LYS  88  11.214  -1.291  -4.500
  676    HZ3  LYS  88           2HZ      LYS  88  10.442  -0.896  -3.058
  677    H    ALA  89           H        ALA  89  10.547   1.582  -7.835
  678    HA   ALA  89           HA       ALA  89  11.121  -1.156  -8.038
  679    HB1  ALA  89           3HB      ALA  89   8.510   0.310  -8.497
  680    HB2  ALA  89           1HB      ALA  89   9.118  -0.284  -6.949
  681    HB3  ALA  89           2HB      ALA  89   8.678  -1.426  -8.220
  682    H    GLU  90           H        GLU  90  10.130   1.210 -10.469
  683    HA   GLU  90           HA       GLU  90   9.861  -0.522 -12.695
  684    HB2  GLU  90           2HB      GLU  90  10.571   2.436 -12.536
  685    HB3  GLU  90           3HB      GLU  90  10.278   1.588 -14.058
  686    HG2  GLU  90           2HG      GLU  90   7.995   1.101 -13.410
  687    HG3  GLU  90           3HG      GLU  90   8.251   1.793 -11.811
  688    H    GLY  91           H        GLY  91  12.610   0.833 -11.076
  689    HA2  GLY  91           2HA      GLY  91  14.535   0.172 -13.165
  690    HA3  GLY  91           3HA      GLY  91  14.867   0.901 -11.604
  691    H    LEU  92           H        LEU  92  13.014  -1.652 -10.716
  692    HA   LEU  92           HA       LEU  92  15.232  -3.169  -9.739
  693    HB2  LEU  92           2HB      LEU  92  12.265  -3.824  -9.816
  694    HB3  LEU  92           3HB      LEU  92  13.462  -4.843  -9.028
  695    HG   LEU  92           HG       LEU  92  12.754  -1.993  -8.230
  696   HD11  LEU  92          1HD1      LEU  92  11.817  -3.003  -6.196
  697   HD12  LEU  92          2HD1      LEU  92  12.180  -4.614  -6.819
  698   HD13  LEU  92          3HD1      LEU  92  10.996  -3.594  -7.640
  699   HD21  LEU  92          3HD2      LEU  92  15.132  -2.427  -7.784
  700   HD22  LEU  92          1HD2      LEU  92  14.715  -3.905  -6.909
  701   HD23  LEU  92          2HD2      LEU  92  14.223  -2.331  -6.280
  702    H    GLU  93           H        GLU  93  12.633  -4.108 -12.030
  703    HA   GLU  93           HA       GLU  93  14.452  -6.106 -13.228
  704    HB2  GLU  93           2HB      GLU  93  12.147  -6.790 -14.399
  705    HB3  GLU  93           3HB      GLU  93  12.567  -7.352 -12.797
  706    HG2  GLU  93           2HG      GLU  93  10.251  -6.727 -12.819
  707    HG3  GLU  93           3HG      GLU  93  11.128  -5.595 -11.801
  708    H    HIS  94           H        HIS  94  12.392  -3.354 -14.012
  709    HA   HIS  94           HA       HIS  94  11.996  -2.124 -15.855
  710    HB2  HIS  94           2HB      HIS  94  14.204  -1.285 -14.937
  711    HB3  HIS  94           3HB      HIS  94  15.018  -2.223 -16.180
  712    HD1  HIS  94           HD1      HIS  94  15.484  -0.952 -18.278
  713    HD2  HIS  94           HD2      HIS  94  12.318   0.696 -16.155
  714    HE1  HIS  94           HE1      HIS  94  14.865   1.142 -19.511
  715    HE2  HIS  94           HE2      HIS  94  12.833   2.006 -18.317
  716    H    HIS  95           H        HIS  95  10.967  -4.043 -16.820
  717    HA   HIS  95           HA       HIS  95  12.195  -5.721 -18.689
  718    HB2  HIS  95           2HB      HIS  95   9.886  -6.263 -19.481
  719    HB3  HIS  95           3HB      HIS  95  10.064  -6.346 -17.736
  720    HD1  HIS  95           HD1      HIS  95   9.092  -4.081 -16.440
  721    HD2  HIS  95           HD2      HIS  95   7.687  -4.832 -20.271
  722    HE1  HIS  95           HE1      HIS  95   6.981  -2.754 -16.648
  723    HE2  HIS  95           HE2      HIS  95   6.164  -3.197 -18.991
  724    H    HIS  96           H        HIS  96  13.230  -5.146 -20.451
  725    HA   HIS  96           HA       HIS  96  13.144  -2.651 -21.736
  726    HB2  HIS  96           2HB      HIS  96  14.192  -5.324 -22.774
  727    HB3  HIS  96           3HB      HIS  96  14.489  -3.780 -23.559
  728    HD1  HIS  96           HD1      HIS  96  16.636  -2.700 -22.928
  729    HD2  HIS  96           HD2      HIS  96  15.367  -5.386 -20.025
  730    HE1  HIS  96           HE1      HIS  96  18.519  -2.851 -21.284
  731    HE2  HIS  96           HE2      HIS  96  17.790  -4.584 -19.623
  732    H    HIS  97           H        HIS  97  11.530  -1.864 -22.864
  733    HA   HIS  97           HA       HIS  97   9.440  -3.463 -24.069
  734    HB2  HIS  97           2HB      HIS  97   8.409  -1.223 -24.583
  735    HB3  HIS  97           3HB      HIS  97   8.791  -1.460 -22.884
  736    HD1  HIS  97           HD1      HIS  97   9.483   0.767 -25.750
  737    HD2  HIS  97           HD2      HIS  97  11.023   0.122 -21.951
  738    HE1  HIS  97           HE1      HIS  97  10.857   2.798 -25.230
  739    HE2  HIS  97           HE2      HIS  97  11.650   2.450 -22.872
  740    H    HIS  98           H        HIS  98  12.420  -2.815 -25.181
  741    HA   HIS  98           HA       HIS  98  11.621  -2.645 -28.028
  742    HB2  HIS  98           2HB      HIS  98  13.013  -0.738 -27.312
  743    HB3  HIS  98           3HB      HIS  98  14.234  -1.831 -26.680
  744    HD1  HIS  98           HD1      HIS  98  16.117  -2.291 -28.218
  745    HD2  HIS  98           HD2      HIS  98  12.730  -1.028 -30.271
  746    HE1  HIS  98           HE1      HIS  98  16.816  -2.099 -30.613
  747    HE2  HIS  98           HE2      HIS  98  14.756  -1.353 -31.848
  748    H    HIS  99           H        HIS  99  11.479  -4.743 -28.662
  749    HA   HIS  99           HA       HIS  99  13.909  -6.332 -28.801
  750    HB2  HIS  99           2HB      HIS  99  11.409  -7.394 -27.413
  751    HB3  HIS  99           3HB      HIS  99  12.582  -8.471 -28.157
  752    HD1  HIS  99           HD1      HIS  99  11.771  -7.139 -24.973
  753    HD2  HIS  99           HD2      HIS  99  15.343  -7.846 -26.981
  754    HE1  HIS  99           HE1      HIS  99  13.531  -7.270 -23.196
  755    HE2  HIS  99           HE2      HIS  99  15.697  -7.573 -24.444
  Start of MODEL    4
    1    H1   GLU   1           1H       GLU   1 -13.795  -0.441  17.450
    2    H2   GLU   1           2H       GLU   1 -12.553   0.213  18.384
    3    H3   GLU   1           3H       GLU   1 -12.957  -1.419  18.540
    4    HA   GLU   1           HA       GLU   1 -11.832  -0.139  16.128
    5    HB2  GLU   1           2HB      GLU   1 -10.556  -2.086  18.101
    6    HB3  GLU   1           3HB      GLU   1  -9.793  -1.457  16.641
    7    HG2  GLU   1           2HG      GLU   1  -9.818   0.813  17.562
    8    HG3  GLU   1           3HG      GLU   1 -10.659   0.246  19.006
    9    H    ASP   2           H        ASP   2 -12.704  -1.120  14.407
   10    HA   ASP   2           HA       ASP   2 -13.462  -4.003  14.473
   11    HB2  ASP   2           2HB      ASP   2 -14.650  -1.729  12.801
   12    HB3  ASP   2           3HB      ASP   2 -15.167  -3.411  12.734
   13    HA   PRO   3           HA       PRO   3 -10.601  -4.466  10.968
   14    HB2  PRO   3           2HB      PRO   3 -11.662  -6.554   9.598
   15    HB3  PRO   3           3HB      PRO   3 -10.906  -6.769  11.180
   16    HG2  PRO   3           2HG      PRO   3 -13.842  -6.502  10.511
   17    HG3  PRO   3           3HG      PRO   3 -13.042  -7.690  11.566
   18    HD2  PRO   3           2HD      PRO   3 -14.285  -5.480  12.559
   19    HD3  PRO   3           3HD      PRO   3 -12.843  -6.176  13.332
   20    H    GLU   4           H        GLU   4 -13.743  -3.353  10.670
   21    HA   GLU   4           HA       GLU   4 -13.643  -2.652   7.841
   22    HB2  GLU   4           2HB      GLU   4 -15.601  -1.960  10.072
   23    HB3  GLU   4           3HB      GLU   4 -15.826  -1.537   8.375
   24    HG2  GLU   4           2HG      GLU   4 -15.973  -3.901   7.767
   25    HG3  GLU   4           3HG      GLU   4 -15.616  -4.379   9.427
   26    H    ASP   5           H        ASP   5 -12.868  -1.279  10.966
   27    HA   ASP   5           HA       ASP   5 -12.790   1.478  10.255
   28    HB2  ASP   5           2HB      ASP   5 -12.892   0.786  12.626
   29    HB3  ASP   5           3HB      ASP   5 -11.323   0.004  12.486
   30    HA   PRO   6           HA       PRO   6  -9.388   1.465   7.345
   31    HB2  PRO   6           2HB      PRO   6  -8.901   4.177   8.625
   32    HB3  PRO   6           3HB      PRO   6  -8.899   3.729   6.910
   33    HG2  PRO   6           2HG      PRO   6 -11.031   4.912   7.950
   34    HG3  PRO   6           3HG      PRO   6 -11.237   3.555   6.817
   35    HD2  PRO   6           2HD      PRO   6 -11.558   3.594   9.806
   36    HD3  PRO   6           3HD      PRO   6 -12.450   2.662   8.584
   37    H    PHE   7           H        PHE   7  -8.358   3.037  10.424
   38    HA   PHE   7           HA       PHE   7  -5.656   2.228  10.113
   39    HB2  PHE   7           2HB      PHE   7  -6.261   4.259  11.372
   40    HB3  PHE   7           3HB      PHE   7  -7.042   3.278  12.607
   41    HD1  PHE   7           HD1      PHE   7  -3.699   3.753  10.939
   42    HD2  PHE   7           HD2      PHE   7  -5.765   2.627  14.518
   43    HE1  PHE   7           HE1      PHE   7  -1.553   3.575  12.135
   44    HE2  PHE   7           HE2      PHE   7  -3.613   2.458  15.701
   45    HZ   PHE   7           HZ       PHE   7  -1.504   2.930  14.511
   46    H    THR   8           H        THR   8  -8.389   0.738  11.869
   47    HA   THR   8           HA       THR   8  -6.827  -0.971  13.521
   48    HB   THR   8           HB       THR   8  -9.690  -1.450  12.571
   49    HG1  THR   8           HG1      THR   8  -8.632   0.377  14.273
   50   HG21  THR   8          3HG2      THR   8  -8.215  -2.599  14.981
   51   HG22  THR   8          1HG2      THR   8  -8.689  -3.500  13.542
   52   HG23  THR   8          2HG2      THR   8  -9.925  -2.836  14.613
   53    H    ARG   9           H        ARG   9  -8.382  -1.558  10.334
   54    HA   ARG   9           HA       ARG   9  -7.456  -4.275  10.072
   55    HB2  ARG   9           2HB      ARG   9  -8.396  -4.187   7.809
   56    HB3  ARG   9           3HB      ARG   9  -9.515  -3.450   8.949
   57    HG2  ARG   9           2HG      ARG   9  -8.047  -1.264   8.100
   58    HG3  ARG   9           3HG      ARG   9  -8.097  -2.248   6.646
   59    HD2  ARG   9           2HD      ARG   9 -10.601  -1.572   8.195
   60    HD3  ARG   9           3HD      ARG   9  -9.920  -0.462   7.011
   61    HE   ARG   9           HE       ARG   9 -10.643  -3.199   6.192
   62   HH11  ARG   9          1HH1      ARG   9 -11.251   0.265   6.043
   63   HH12  ARG   9          2HH1      ARG   9 -12.332   0.149   4.696
   64   HH21  ARG   9          1HH2      ARG   9 -12.112  -3.309   4.421
   65   HH22  ARG   9          2HH2      ARG   9 -12.791  -1.863   3.769
   66    H    TYR  10           H        TYR  10  -6.208  -1.135   9.190
   67    HA   TYR  10           HA       TYR  10  -4.126  -1.882   7.395
   68    HB2  TYR  10           2HB      TYR  10  -4.918   0.402   7.482
   69    HB3  TYR  10           3HB      TYR  10  -4.562   0.532   9.197
   70    HD1  TYR  10           HD1      TYR  10  -2.682  -0.244   6.004
   71    HD2  TYR  10           HD2      TYR  10  -2.710   1.854   9.727
   72    HE1  TYR  10           HE1      TYR  10  -0.529   0.806   5.440
   73    HE2  TYR  10           HE2      TYR  10  -0.569   2.893   9.157
   74    HH   TYR  10           HH       TYR  10   1.324   2.526   7.757
   75    H    ALA  11           H        ALA  11  -4.165  -1.172  10.847
   76    HA   ALA  11           HA       ALA  11  -1.418  -1.697  11.367
   77    HB1  ALA  11           3HB      ALA  11  -2.064  -1.470  13.740
   78    HB2  ALA  11           1HB      ALA  11  -3.770  -1.503  13.284
   79    HB3  ALA  11           2HB      ALA  11  -2.742  -0.164  12.767
   80    H    LEU  12           H        LEU  12  -4.409  -3.557  11.594
   81    HA   LEU  12           HA       LEU  12  -3.538  -5.919  12.824
   82    HB2  LEU  12           2HB      LEU  12  -5.916  -5.379  12.400
   83    HB3  LEU  12           3HB      LEU  12  -5.655  -5.520  10.672
   84    HG   LEU  12           HG       LEU  12  -5.211  -7.969  10.960
   85   HD11  LEU  12          1HD1      LEU  12  -5.757  -9.101  13.070
   86   HD12  LEU  12          2HD1      LEU  12  -5.992  -7.541  13.861
   87   HD13  LEU  12          3HD1      LEU  12  -4.394  -7.999  13.268
   88   HD21  LEU  12          3HD2      LEU  12  -7.548  -8.632  11.379
   89   HD22  LEU  12          1HD2      LEU  12  -7.456  -7.206  10.345
   90   HD23  LEU  12          2HD2      LEU  12  -7.889  -7.035  12.048
   91    H    ALA  13           H        ALA  13  -3.671  -4.974   9.408
   92    HA   ALA  13           HA       ALA  13  -2.634  -7.274   8.202
   93    HB1  ALA  13           3HB      ALA  13  -3.770  -5.475   6.966
   94    HB2  ALA  13           1HB      ALA  13  -2.194  -5.837   6.257
   95    HB3  ALA  13           2HB      ALA  13  -2.405  -4.397   7.258
   96    H    GLN  14           H        GLN  14  -0.978  -4.391   9.462
   97    HA   GLN  14           HA       GLN  14   1.651  -5.184   8.715
   98    HB2  GLN  14           2HB      GLN  14   0.735  -3.199  10.830
   99    HB3  GLN  14           3HB      GLN  14   2.396  -3.366  10.249
  100    HG2  GLN  14           2HG      GLN  14   1.718  -2.704   7.997
  101    HG3  GLN  14           3HG      GLN  14   0.027  -2.638   8.486
  102   HE21  GLN  14          1HE2      GLN  14  -0.636  -0.951   9.893
  103   HE22  GLN  14          2HE2      GLN  14   0.281   0.505  10.046
  104    H    GLU  15           H        GLU  15  -0.307  -5.866  11.608
  105    HA   GLU  15           HA       GLU  15   1.761  -7.088  13.149
  106    HB2  GLU  15           2HB      GLU  15  -1.215  -7.782  13.200
  107    HB3  GLU  15           3HB      GLU  15  -0.032  -8.212  14.429
  108    HG2  GLU  15           2HG      GLU  15  -1.124  -5.468  13.782
  109    HG3  GLU  15           3HG      GLU  15  -1.340  -6.398  15.260
  110    H    HIS  16           H        HIS  16  -0.552  -8.317  10.735
  111    HA   HIS  16           HA       HIS  16   0.161 -11.026  10.707
  112    HB2  HIS  16           2HB      HIS  16  -0.902  -9.282   8.444
  113    HB3  HIS  16           3HB      HIS  16  -0.677 -11.019   8.288
  114    HD1  HIS  16           HD1      HIS  16  -2.079 -12.419  10.300
  115    HD2  HIS  16           HD2      HIS  16  -3.439  -8.660   9.175
  116    HE1  HIS  16           HE1      HIS  16  -4.487 -12.330  10.994
  117    HE2  HIS  16           HE2      HIS  16  -5.267 -10.028  10.366
  118    H    LEU  17           H        LEU  17   1.578  -8.268   8.913
  119    HA   LEU  17           HA       LEU  17   3.450  -9.688   7.371
  120    HB2  LEU  17           2HB      LEU  17   3.459  -6.836   8.412
  121    HB3  LEU  17           3HB      LEU  17   4.695  -7.445   7.317
  122    HG   LEU  17           HG       LEU  17   1.720  -7.336   6.671
  123   HD11  LEU  17          1HD1      LEU  17   2.256  -5.500   5.132
  124   HD12  LEU  17          2HD1      LEU  17   3.930  -5.508   5.695
  125   HD13  LEU  17          3HD1      LEU  17   2.626  -5.072   6.802
  126   HD21  LEU  17          3HD2      LEU  17   2.857  -9.160   5.490
  127   HD22  LEU  17          1HD2      LEU  17   4.077  -8.036   4.886
  128   HD23  LEU  17          2HD2      LEU  17   2.397  -7.884   4.369
  129    H    LYS  18           H        LYS  18   3.703  -8.381  10.683
  130    HA   LYS  18           HA       LYS  18   6.422  -8.914  11.207
  131    HB2  LYS  18           2HB      LYS  18   4.053  -8.990  13.118
  132    HB3  LYS  18           3HB      LYS  18   5.742  -8.959  13.627
  133    HG2  LYS  18           2HG      LYS  18   6.026  -6.725  12.688
  134    HG3  LYS  18           3HG      LYS  18   4.388  -6.767  12.027
  135    HD2  LYS  18           2HD      LYS  18   3.461  -6.888  14.315
  136    HD3  LYS  18           3HD      LYS  18   5.097  -6.857  14.981
  137    HE2  LYS  18           2HE      LYS  18   5.435  -4.599  14.041
  138    HE3  LYS  18           3HE      LYS  18   3.803  -4.635  13.362
  139    HZ1  LYS  18           3HZ      LYS  18   2.903  -4.781  15.574
  140    HZ2  LYS  18           1HZ      LYS  18   3.919  -3.427  15.466
  141    HZ3  LYS  18           2HZ      LYS  18   4.455  -4.827  16.249
  142    H    HIS  19           H        HIS  19   3.583 -10.981  11.301
  143    HA   HIS  19           HA       HIS  19   5.014 -13.267  12.485
  144    HB2  HIS  19           2HB      HIS  19   2.088 -12.973  11.694
  145    HB3  HIS  19           3HB      HIS  19   2.783 -14.329  12.575
  146    HD1  HIS  19           HD1      HIS  19   0.863 -11.452  13.169
  147    HD2  HIS  19           HD2      HIS  19   4.095 -13.166  15.135
  148    HE1  HIS  19           HE1      HIS  19   0.739 -10.608  15.516
  149    HE2  HIS  19           HE2      HIS  19   2.806 -11.501  16.634
  150    H    ASP  20           H        ASP  20   4.916 -12.061   9.475
  151    HA   ASP  20           HA       ASP  20   5.282 -12.784   7.380
  152    HB2  ASP  20           2HB      ASP  20   6.942 -14.314   8.524
  153    HB3  ASP  20           3HB      ASP  20   5.714 -15.572   8.552
  154    H    ASN  21           H        ASN  21   2.570 -13.197   8.837
  155    HA   ASN  21           HA       ASN  21   1.091 -14.865   6.971
  156    HB2  ASN  21           2HB      ASN  21   0.144 -12.932   9.136
  157    HB3  ASN  21           3HB      ASN  21  -0.932 -13.934   8.165
  158   HD21  ASN  21          1HD2      ASN  21  -0.951 -16.187   8.522
  159   HD22  ASN  21          2HD2      ASN  21  -0.311 -16.881   9.968
  160    H    ALA  22           H        ALA  22   2.415 -13.444   5.363
  161    HA   ALA  22           HA       ALA  22   1.720 -10.769   4.791
  162    HB1  ALA  22           3HB      ALA  22   3.853 -11.736   4.116
  163    HB2  ALA  22           1HB      ALA  22   2.984 -11.141   2.704
  164    HB3  ALA  22           2HB      ALA  22   3.031 -12.869   3.045
  165    H    SER  23           H        SER  23   0.520 -13.864   3.579
  166    HA   SER  23           HA       SER  23  -1.184 -13.079   1.549
  167    HB2  SER  23           2HB      SER  23  -0.702 -15.427   2.047
  168    HB3  SER  23           3HB      SER  23  -1.559 -15.318   3.584
  169    HG   SER  23           HG       SER  23  -2.510 -15.783   1.103
  170    H    ARG  24           H        ARG  24  -1.866 -13.179   5.063
  171    HA   ARG  24           HA       ARG  24  -4.625 -12.443   4.856
  172    HB2  ARG  24           2HB      ARG  24  -2.765 -12.247   7.270
  173    HB3  ARG  24           3HB      ARG  24  -4.526 -12.233   7.309
  174    HG2  ARG  24           2HG      ARG  24  -2.769 -14.572   6.495
  175    HG3  ARG  24           3HG      ARG  24  -3.650 -14.399   8.015
  176    HD2  ARG  24           2HD      ARG  24  -5.789 -14.423   6.762
  177    HD3  ARG  24           3HD      ARG  24  -4.895 -14.625   5.252
  178    HE   ARG  24           HE       ARG  24  -4.026 -16.762   6.268
  179   HH11  ARG  24          1HH1      ARG  24  -7.159 -15.506   7.258
  180   HH12  ARG  24          2HH1      ARG  24  -7.783 -17.075   7.650
  181   HH21  ARG  24          1HH2      ARG  24  -4.876 -18.801   6.799
  182   HH22  ARG  24          2HH2      ARG  24  -6.497 -18.932   7.403
  183    H    ALA  25           H        ALA  25  -1.599 -10.729   5.391
  184    HA   ALA  25           HA       ALA  25  -2.609  -8.136   5.954
  185    HB1  ALA  25           3HB      ALA  25  -0.327  -7.384   5.423
  186    HB2  ALA  25           1HB      ALA  25   0.037  -8.959   4.710
  187    HB3  ALA  25           2HB      ALA  25  -0.295  -8.825   6.437
  188    H    LEU  26           H        LEU  26  -1.751  -9.832   3.007
  189    HA   LEU  26           HA       LEU  26  -1.744  -7.748   1.123
  190    HB2  LEU  26           2HB      LEU  26  -0.806 -10.082   0.832
  191    HB3  LEU  26           3HB      LEU  26  -2.447 -10.681   0.688
  192    HG   LEU  26           HG       LEU  26  -2.719  -9.247  -1.376
  193   HD11  LEU  26          1HD1      LEU  26  -0.706  -8.380  -2.486
  194   HD12  LEU  26          2HD1      LEU  26   0.263  -8.799  -1.072
  195   HD13  LEU  26          3HD1      LEU  26  -1.001  -7.574  -0.949
  196   HD21  LEU  26          3HD2      LEU  26  -1.440 -10.743  -2.859
  197   HD22  LEU  26          1HD2      LEU  26  -2.230 -11.646  -1.570
  198   HD23  LEU  26          2HD2      LEU  26  -0.497 -11.318  -1.483
  199    H    ALA  27           H        ALA  27  -4.203 -10.127   1.967
  200    HA   ALA  27           HA       ALA  27  -6.386  -9.252   0.499
  201    HB1  ALA  27           3HB      ALA  27  -7.747 -10.538   2.091
  202    HB2  ALA  27           1HB      ALA  27  -6.393 -10.594   3.224
  203    HB3  ALA  27           2HB      ALA  27  -6.275 -11.412   1.663
  204    H    LEU  28           H        LEU  28  -5.426  -8.268   3.826
  205    HA   LEU  28           HA       LEU  28  -7.658  -6.591   4.338
  206    HB2  LEU  28           2HB      LEU  28  -4.923  -6.793   5.603
  207    HB3  LEU  28           3HB      LEU  28  -6.079  -5.583   6.143
  208    HG   LEU  28           HG       LEU  28  -6.603  -8.580   6.192
  209   HD11  LEU  28          1HD1      LEU  28  -4.817  -7.994   7.753
  210   HD12  LEU  28          2HD1      LEU  28  -6.286  -8.435   8.622
  211   HD13  LEU  28          3HD1      LEU  28  -5.828  -6.736   8.468
  212   HD21  LEU  28          3HD2      LEU  28  -8.544  -7.986   7.606
  213   HD22  LEU  28          1HD2      LEU  28  -8.672  -7.271   6.000
  214   HD23  LEU  28          2HD2      LEU  28  -8.195  -6.271   7.375
  215    H    PHE  29           H        PHE  29  -4.491  -5.871   2.935
  216    HA   PHE  29           HA       PHE  29  -4.858  -3.038   2.841
  217    HB2  PHE  29           2HB      PHE  29  -2.963  -4.860   1.324
  218    HB3  PHE  29           3HB      PHE  29  -2.960  -3.113   1.139
  219    HD1  PHE  29           HD1      PHE  29  -3.190  -2.099   3.879
  220    HD2  PHE  29           HD2      PHE  29  -0.959  -5.445   2.409
  221    HE1  PHE  29           HE1      PHE  29  -1.592  -1.868   5.740
  222    HE2  PHE  29           HE2      PHE  29   0.622  -5.207   4.277
  223    HZ   PHE  29           HZ       PHE  29   0.307  -3.422   5.944
  224    H    GLU  30           H        GLU  30  -5.376  -5.672   0.464
  225    HA   GLU  30           HA       GLU  30  -6.414  -4.053  -1.619
  226    HB2  GLU  30           2HB      GLU  30  -6.751  -7.002  -0.983
  227    HB3  GLU  30           3HB      GLU  30  -7.443  -6.260  -2.425
  228    HG2  GLU  30           2HG      GLU  30  -5.190  -5.583  -3.175
  229    HG3  GLU  30           3HG      GLU  30  -4.498  -6.312  -1.719
  230    H    GLU  31           H        GLU  31  -7.846  -5.359   1.286
  231    HA   GLU  31           HA       GLU  31 -10.612  -4.978   0.677
  232    HB2  GLU  31           2HB      GLU  31  -9.902  -6.551   2.411
  233    HB3  GLU  31           3HB      GLU  31  -9.020  -5.298   3.263
  234    HG2  GLU  31           2HG      GLU  31 -11.032  -5.892   4.466
  235    HG3  GLU  31           3HG      GLU  31 -11.124  -4.226   3.904
  236    H    LEU  32           H        LEU  32  -8.059  -3.153   2.257
  237    HA   LEU  32           HA       LEU  32  -9.479  -0.865   3.045
  238    HB2  LEU  32           2HB      LEU  32  -6.640  -1.669   2.773
  239    HB3  LEU  32           3HB      LEU  32  -6.888   0.051   2.569
  240    HG   LEU  32           HG       LEU  32  -7.877  -1.466   5.002
  241   HD11  LEU  32          1HD1      LEU  32  -5.433  -1.668   4.876
  242   HD12  LEU  32          2HD1      LEU  32  -5.928  -0.623   6.204
  243   HD13  LEU  32          3HD1      LEU  32  -5.288   0.087   4.722
  244   HD21  LEU  32          3HD2      LEU  32  -9.039   0.664   4.561
  245   HD22  LEU  32          1HD2      LEU  32  -7.488   1.512   4.493
  246   HD23  LEU  32          2HD2      LEU  32  -8.037   0.782   6.004
  247    H    VAL  33           H        VAL  33  -7.619  -1.531   0.032
  248    HA   VAL  33           HA       VAL  33  -7.901   1.032  -1.098
  249    HB   VAL  33           HB       VAL  33  -7.439  -1.660  -2.475
  250   HG11  VAL  33          1HG1      VAL  33  -7.139   1.119  -3.688
  251   HG12  VAL  33          2HG1      VAL  33  -8.342  -0.090  -4.136
  252   HG13  VAL  33          3HG1      VAL  33  -6.636  -0.394  -4.450
  253   HG21  VAL  33          3HG2      VAL  33  -5.644  -1.006  -0.922
  254   HG22  VAL  33          1HG2      VAL  33  -5.481   0.551  -1.735
  255   HG23  VAL  33          2HG2      VAL  33  -5.073  -0.941  -2.587
  256    H    GLU  34           H        GLU  34  -9.799  -1.944  -1.701
  257    HA   GLU  34           HA       GLU  34 -11.510  -0.880  -3.637
  258    HB2  GLU  34           2HB      GLU  34 -12.885  -2.869  -3.351
  259    HB3  GLU  34           3HB      GLU  34 -11.178  -3.290  -3.321
  260    HG2  GLU  34           2HG      GLU  34 -11.276  -3.439  -0.847
  261    HG3  GLU  34           3HG      GLU  34 -12.999  -3.078  -0.902
  262    H    THR  35           H        THR  35 -11.911  -0.878  -0.078
  263    HA   THR  35           HA       THR  35 -14.605   0.294  -0.322
  264    HB   THR  35           HB       THR  35 -14.683   0.053   2.162
  265    HG1  THR  35           HG1      THR  35 -12.342   0.262   2.435
  266   HG21  THR  35          3HG2      THR  35 -14.714  -2.406   2.261
  267   HG22  THR  35          1HG2      THR  35 -13.796  -2.491   0.755
  268   HG23  THR  35          2HG2      THR  35 -15.436  -1.837   0.755
  269    H    ASP  36           H        ASP  36 -11.344   1.223   0.498
  270    HA   ASP  36           HA       ASP  36 -12.100   4.010   1.128
  271    HB2  ASP  36           2HB      ASP  36 -10.284   2.233   2.837
  272    HB3  ASP  36           3HB      ASP  36 -10.330   3.987   2.980
  273    HA   PRO  37           HA       PRO  37  -8.494   3.617  -1.860
  274    HB2  PRO  37           2HB      PRO  37  -9.417   5.260  -3.818
  275    HB3  PRO  37           3HB      PRO  37  -9.935   3.570  -3.695
  276    HG2  PRO  37           2HG      PRO  37 -11.352   6.059  -2.736
  277    HG3  PRO  37           3HG      PRO  37 -12.008   4.681  -3.652
  278    HD2  PRO  37           2HD      PRO  37 -12.302   4.914  -0.946
  279    HD3  PRO  37           3HD      PRO  37 -12.178   3.337  -1.756
  280    H    ASP  38           H        ASP  38  -9.920   6.019   0.028
  281    HA   ASP  38           HA       ASP  38  -8.188   8.236  -0.629
  282    HB2  ASP  38           2HB      ASP  38  -9.292   9.423   1.160
  283    HB3  ASP  38           3HB      ASP  38 -10.533   8.501   0.322
  284    H    TYR  39           H        TYR  39  -8.129   5.471   1.551
  285    HA   TYR  39           HA       TYR  39  -6.215   6.475   3.399
  286    HB2  TYR  39           2HB      TYR  39  -7.848   4.406   3.647
  287    HB3  TYR  39           3HB      TYR  39  -6.540   3.490   2.907
  288    HD1  TYR  39           HD2      TYR  39  -4.353   3.215   4.151
  289    HD2  TYR  39           HD1      TYR  39  -7.641   5.282   5.916
  290    HE1  TYR  39           HE2      TYR  39  -3.280   3.058   6.354
  291    HE2  TYR  39           HE1      TYR  39  -6.553   5.138   8.105
  292    HH   TYR  39           HH       TYR  39  -3.326   4.206   8.524
  293    H    VAL  40           H        VAL  40  -4.430   7.233   2.533
  294    HA   VAL  40           HA       VAL  40  -3.132   6.312   0.174
  295    HB   VAL  40           HB       VAL  40  -2.008   8.168   2.323
  296   HG11  VAL  40          1HG1      VAL  40  -0.703   9.146   0.465
  297   HG12  VAL  40          2HG1      VAL  40  -1.355   7.930  -0.637
  298   HG13  VAL  40          3HG1      VAL  40  -0.320   7.442   0.708
  299   HG21  VAL  40          3HG2      VAL  40  -3.753   8.883  -0.071
  300   HG22  VAL  40          1HG2      VAL  40  -2.973  10.039   1.011
  301   HG23  VAL  40          2HG2      VAL  40  -4.228   8.965   1.627
  302    H    GLY  41           H        GLY  41  -2.589   5.779   3.608
  303    HA2  GLY  41           2HA      GLY  41   0.068   4.817   3.598
  304    HA3  GLY  41           3HA      GLY  41  -1.132   4.516   4.846
  305    H    THR  42           H        THR  42  -2.998   3.248   2.993
  306    HA   THR  42           HA       THR  42  -2.330   0.551   3.104
  307    HB   THR  42           HB       THR  42  -4.199   1.928   1.116
  308    HG1  THR  42           HG1      THR  42  -5.717   1.775   2.663
  309   HG21  THR  42          3HG2      THR  42  -5.347  -0.260   1.045
  310   HG22  THR  42          1HG2      THR  42  -4.092  -0.953   2.076
  311   HG23  THR  42          2HG2      THR  42  -3.691  -0.383   0.452
  312    H    TYR  43           H        TYR  43  -2.202   2.804   0.329
  313    HA   TYR  43           HA       TYR  43  -1.554   0.986  -1.672
  314    HB2  TYR  43           2HB      TYR  43  -1.028   3.973  -1.481
  315    HB3  TYR  43           3HB      TYR  43  -0.738   3.043  -2.947
  316    HD1  TYR  43           HD1      TYR  43  -2.631   2.093  -4.232
  317    HD2  TYR  43           HD2      TYR  43  -3.339   4.526  -0.790
  318    HE1  TYR  43           HE1      TYR  43  -4.949   2.430  -4.948
  319    HE2  TYR  43           HE2      TYR  43  -5.662   4.853  -1.523
  320    HH   TYR  43           HH       TYR  43  -6.937   4.793  -3.606
  321    H    TYR  44           H        TYR  44   0.618   3.091   0.198
  322    HA   TYR  44           HA       TYR  44   3.058   2.371  -0.788
  323    HB2  TYR  44           2HB      TYR  44   2.581   4.152   0.905
  324    HB3  TYR  44           3HB      TYR  44   2.384   2.909   2.135
  325    HD1  TYR  44           HD2      TYR  44   4.922   3.867  -0.487
  326    HD2  TYR  44           HD1      TYR  44   4.258   2.607   3.542
  327    HE1  TYR  44           HE2      TYR  44   7.335   3.990  -0.042
  328    HE2  TYR  44           HE1      TYR  44   6.669   2.732   3.977
  329    HH   TYR  44           HH       TYR  44   8.787   4.342   2.045
  330    H    HIS  45           H        HIS  45   1.628   0.887   2.142
  331    HA   HIS  45           HA       HIS  45   3.605  -1.132   2.397
  332    HB2  HIS  45           2HB      HIS  45   0.862  -0.879   3.682
  333    HB3  HIS  45           3HB      HIS  45   2.016  -2.144   4.111
  334    HD1  HIS  45           HD1      HIS  45   3.661  -1.560   5.875
  335    HD2  HIS  45           HD2      HIS  45   1.969   1.821   4.178
  336    HE1  HIS  45           HE1      HIS  45   4.552   0.368   7.200
  337    HE2  HIS  45           HE2      HIS  45   3.384   2.386   6.256
  338    H    LEU  46           H        LEU  46   0.559  -1.148   0.680
  339    HA   LEU  46           HA       LEU  46   0.361  -3.972   0.262
  340    HB2  LEU  46           2HB      LEU  46  -1.611  -2.510   0.076
  341    HB3  LEU  46           3HB      LEU  46  -0.877  -1.648  -1.265
  342    HG   LEU  46           HG       LEU  46  -1.055  -3.642  -2.699
  343   HD11  LEU  46          1HD1      LEU  46  -2.376  -5.062  -0.364
  344   HD12  LEU  46          2HD1      LEU  46  -0.778  -5.417  -1.014
  345   HD13  LEU  46          3HD1      LEU  46  -2.205  -5.688  -2.006
  346   HD21  LEU  46          3HD2      LEU  46  -3.695  -2.987  -1.346
  347   HD22  LEU  46          1HD2      LEU  46  -3.503  -3.748  -2.930
  348   HD23  LEU  46          2HD2      LEU  46  -2.955  -2.093  -2.678
  349    H    GLY  47           H        GLY  47   1.751  -1.244  -1.540
  350    HA2  GLY  47           2HA      GLY  47   2.510  -2.707  -3.879
  351    HA3  GLY  47           3HA      GLY  47   3.060  -1.107  -3.409
  352    H    LYS  48           H        LYS  48   4.167  -1.746  -0.893
  353    HA   LYS  48           HA       LYS  48   6.776  -2.622  -1.509
  354    HB2  LYS  48           2HB      LYS  48   5.409  -2.461   1.214
  355    HB3  LYS  48           3HB      LYS  48   7.135  -2.700   0.981
  356    HG2  LYS  48           2HG      LYS  48   5.549  -0.218   0.248
  357    HG3  LYS  48           3HG      LYS  48   6.633  -0.398   1.619
  358    HD2  LYS  48           2HD      LYS  48   7.456  -0.451  -1.312
  359    HD3  LYS  48           3HD      LYS  48   7.633   0.919  -0.221
  360    HE2  LYS  48           2HE      LYS  48   9.786  -0.077  -0.366
  361    HE3  LYS  48           3HE      LYS  48   9.146  -0.577   1.195
  362    HZ1  LYS  48           3HZ      LYS  48   8.699  -2.731   0.345
  363    HZ2  LYS  48           1HZ      LYS  48  10.277  -2.340  -0.104
  364    HZ3  LYS  48           2HZ      LYS  48   9.031  -2.259  -1.244
  365    H    LEU  49           H        LEU  49   3.955  -4.243  -0.187
  366    HA   LEU  49           HA       LEU  49   5.205  -6.746   0.372
  367    HB2  LEU  49           2HB      LEU  49   3.113  -5.964   1.454
  368    HB3  LEU  49           3HB      LEU  49   2.269  -6.095  -0.081
  369    HG   LEU  49           HG       LEU  49   2.489  -8.528  -0.070
  370   HD11  LEU  49          1HD1      LEU  49   3.563  -9.769   1.754
  371   HD12  LEU  49          2HD1      LEU  49   4.090  -8.262   2.501
  372   HD13  LEU  49          3HD1      LEU  49   4.726  -8.742   0.926
  373   HD21  LEU  49          3HD2      LEU  49   1.132  -9.087   1.910
  374   HD22  LEU  49          1HD2      LEU  49   0.582  -7.586   1.168
  375   HD23  LEU  49          2HD2      LEU  49   1.546  -7.536   2.647
  376    H    TYR  50           H        TYR  50   3.385  -5.445  -2.418
  377    HA   TYR  50           HA       TYR  50   3.401  -7.724  -4.062
  378    HB2  TYR  50           2HB      TYR  50   3.338  -4.761  -4.717
  379    HB3  TYR  50           3HB      TYR  50   3.359  -5.967  -5.995
  380    HD1  TYR  50           HD2      TYR  50   1.546  -8.051  -4.746
  381    HD2  TYR  50           HD1      TYR  50   1.157  -3.797  -5.023
  382    HE1  TYR  50           HE2      TYR  50  -0.896  -8.260  -4.679
  383    HE2  TYR  50           HE1      TYR  50  -1.287  -4.024  -4.963
  384    HH   TYR  50           HH       TYR  50  -2.832  -6.895  -4.048
  385    H    GLU  51           H        GLU  51   5.922  -5.267  -3.533
  386    HA   GLU  51           HA       GLU  51   7.723  -6.120  -5.550
  387    HB2  GLU  51           2HB      GLU  51   8.278  -4.707  -2.915
  388    HB3  GLU  51           3HB      GLU  51   9.483  -4.944  -4.180
  389    HG2  GLU  51           2HG      GLU  51   8.076  -3.617  -5.741
  390    HG3  GLU  51           3HG      GLU  51   6.915  -3.345  -4.439
  391    H    ARG  52           H        ARG  52   7.233  -7.217  -2.208
  392    HA   ARG  52           HA       ARG  52   9.384  -9.093  -2.089
  393    HB2  ARG  52           2HB      ARG  52   6.710  -9.086  -0.629
  394    HB3  ARG  52           3HB      ARG  52   8.056 -10.151  -0.234
  395    HG2  ARG  52           2HG      ARG  52   9.427  -8.225   0.415
  396    HG3  ARG  52           3HG      ARG  52   8.125  -7.122  -0.054
  397    HD2  ARG  52           2HD      ARG  52   6.671  -8.064   1.677
  398    HD3  ARG  52           3HD      ARG  52   7.911  -9.240   2.114
  399    HE   ARG  52           HE       ARG  52   9.185  -7.549   3.111
  400   HH11  ARG  52          1HH1      ARG  52   6.214  -6.186   1.809
  401   HH12  ARG  52          2HH1      ARG  52   6.233  -4.824   2.879
  402   HH21  ARG  52          1HH2      ARG  52   9.201  -5.768   4.487
  403   HH22  ARG  52          2HH2      ARG  52   7.942  -4.575   4.389
  404    H    LEU  53           H        LEU  53   6.046  -9.268  -3.219
  405    HA   LEU  53           HA       LEU  53   6.056 -12.131  -3.667
  406    HB2  LEU  53           2HB      LEU  53   4.024 -10.008  -4.433
  407    HB3  LEU  53           3HB      LEU  53   3.756 -11.744  -4.490
  408    HG   LEU  53           HG       LEU  53   4.267 -10.144  -1.954
  409   HD11  LEU  53          1HD1      LEU  53   1.664 -11.275  -3.011
  410   HD12  LEU  53          2HD1      LEU  53   2.110  -9.568  -2.922
  411   HD13  LEU  53          3HD1      LEU  53   1.895 -10.497  -1.441
  412   HD21  LEU  53          3HD2      LEU  53   3.629 -12.197  -0.741
  413   HD22  LEU  53          1HD2      LEU  53   5.069 -12.456  -1.725
  414   HD23  LEU  53          2HD2      LEU  53   3.506 -13.071  -2.271
  415    H    ASP  54           H        ASP  54   7.678  -9.911  -5.352
  416    HA   ASP  54           HA       ASP  54   8.391  -9.506  -7.449
  417    HB2  ASP  54           2HB      ASP  54   7.489 -12.374  -7.918
  418    HB3  ASP  54           3HB      ASP  54   8.478 -11.453  -9.043
  419    H    ARG  55           H        ARG  55   5.472  -9.123  -6.773
  420    HA   ARG  55           HA       ARG  55   4.152  -9.055  -9.390
  421    HB2  ARG  55           2HB      ARG  55   3.142  -8.246  -6.617
  422    HB3  ARG  55           3HB      ARG  55   2.168  -8.273  -8.083
  423    HG2  ARG  55           2HG      ARG  55   3.398 -10.676  -6.697
  424    HG3  ARG  55           3HG      ARG  55   1.692 -10.221  -6.699
  425    HD2  ARG  55           2HD      ARG  55   3.347 -11.142  -9.071
  426    HD3  ARG  55           3HD      ARG  55   2.025 -12.016  -8.295
  427    HE   ARG  55           HE       ARG  55   1.034  -9.549  -9.175
  428   HH11  ARG  55          1HH1      ARG  55   2.175 -12.557 -10.592
  429   HH12  ARG  55          2HH1      ARG  55   1.294 -12.321 -12.065
  430   HH21  ARG  55          1HH2      ARG  55  -0.064  -9.244 -11.097
  431   HH22  ARG  55          2HH2      ARG  55   0.016 -10.440 -12.354
  432    H    THR  56           H        THR  56   6.082  -7.554  -9.927
  433    HA   THR  56           HA       THR  56   6.345  -5.001  -8.755
  434    HB   THR  56           HB       THR  56   7.265  -5.871 -11.528
  435    HG1  THR  56           HG1      THR  56   8.156  -6.516  -8.945
  436   HG21  THR  56          3HG2      THR  56   7.557  -3.451 -11.098
  437   HG22  THR  56          1HG2      THR  56   9.113  -4.278 -11.138
  438   HG23  THR  56          2HG2      THR  56   8.404  -3.812  -9.591
  439    H    ASP  57           H        ASP  57   4.537  -6.130 -11.599
  440    HA   ASP  57           HA       ASP  57   3.749  -3.645 -12.680
  441    HB2  ASP  57           2HB      ASP  57   2.487  -6.413 -12.768
  442    HB3  ASP  57           3HB      ASP  57   1.685  -5.037 -13.519
  443    H    ASP  58           H        ASP  58   2.286  -5.703 -10.233
  444    HA   ASP  58           HA       ASP  58  -0.049  -4.174  -9.763
  445    HB2  ASP  58           2HB      ASP  58   1.397  -6.168  -7.961
  446    HB3  ASP  58           3HB      ASP  58  -0.251  -5.585  -7.715
  447    H    ALA  59           H        ALA  59   3.191  -4.213  -8.311
  448    HA   ALA  59           HA       ALA  59   2.778  -2.475  -6.154
  449    HB1  ALA  59           3HB      ALA  59   4.809  -3.841  -6.377
  450    HB2  ALA  59           1HB      ALA  59   5.219  -2.135  -6.168
  451    HB3  ALA  59           2HB      ALA  59   5.321  -2.879  -7.765
  452    H    ILE  60           H        ILE  60   3.990  -1.745  -9.450
  453    HA   ILE  60           HA       ILE  60   4.281   1.038  -9.142
  454    HB   ILE  60           HB       ILE  60   3.771  -0.451 -11.765
  455   HG12  ILE  60          2HG1      ILE  60   5.703  -1.474 -10.660
  456   HG13  ILE  60          3HG1      ILE  60   6.284  -0.497 -12.000
  457   HG21  ILE  60          1HG2      ILE  60   4.985   1.429 -12.849
  458   HG22  ILE  60          2HG2      ILE  60   5.093   2.254 -11.292
  459   HG23  ILE  60          3HG2      ILE  60   3.517   1.976 -12.036
  460   HD11  ILE  60          3HD1      ILE  60   6.375   0.247  -9.075
  461   HD12  ILE  60          1HD1      ILE  60   6.914   1.271 -10.411
  462   HD13  ILE  60          2HD1      ILE  60   7.723  -0.260 -10.091
  463    H    ASP  61           H        ASP  61   1.554  -0.905 -10.323
  464    HA   ASP  61           HA       ASP  61  -0.181   1.174 -11.144
  465    HB2  ASP  61           2HB      ASP  61  -0.542  -1.179 -11.804
  466    HB3  ASP  61           3HB      ASP  61  -0.835  -1.630 -10.128
  467    H    THR  62           H        THR  62   0.187  -0.496  -8.045
  468    HA   THR  62           HA       THR  62  -1.950   0.742  -6.652
  469    HB   THR  62           HB       THR  62   0.555  -0.630  -5.554
  470    HG1  THR  62           HG1      THR  62  -1.010  -1.817  -6.992
  471   HG21  THR  62          3HG2      THR  62  -0.800  -1.061  -3.526
  472   HG22  THR  62          1HG2      THR  62  -2.113  -0.094  -4.192
  473   HG23  THR  62          2HG2      THR  62  -0.572   0.671  -3.789
  474    H    TYR  63           H        TYR  63   1.512   1.508  -6.954
  475    HA   TYR  63           HA       TYR  63   1.568   3.659  -5.087
  476    HB2  TYR  63           2HB      TYR  63   3.411   3.041  -7.426
  477    HB3  TYR  63           3HB      TYR  63   3.711   4.328  -6.259
  478    HD1  TYR  63           HD1      TYR  63   2.951   2.945  -3.698
  479    HD2  TYR  63           HD2      TYR  63   5.219   1.552  -7.040
  480    HE1  TYR  63           HE1      TYR  63   4.171   1.400  -2.234
  481    HE2  TYR  63           HE2      TYR  63   6.427   0.008  -5.573
  482    HH   TYR  63           HH       TYR  63   6.954  -0.315  -3.305
  483    H    ALA  64           H        ALA  64   1.160   3.542  -8.632
  484    HA   ALA  64           HA       ALA  64   1.059   6.237  -9.255
  485    HB1  ALA  64           3HB      ALA  64   1.125   4.435 -10.943
  486    HB2  ALA  64           1HB      ALA  64  -0.181   5.575 -11.281
  487    HB3  ALA  64           2HB      ALA  64  -0.541   4.006 -10.555
  488    H    GLN  65           H        GLN  65  -1.678   4.103  -8.403
  489    HA   GLN  65           HA       GLN  65  -3.698   6.100  -8.387
  490    HB2  GLN  65           2HB      GLN  65  -3.628   3.303  -8.076
  491    HB3  GLN  65           3HB      GLN  65  -4.193   3.849  -6.514
  492    HG2  GLN  65           2HG      GLN  65  -5.508   4.600  -9.143
  493    HG3  GLN  65           3HG      GLN  65  -5.978   3.212  -8.175
  494   HE21  GLN  65          1HE2      GLN  65  -5.316   6.635  -7.216
  495   HE22  GLN  65          2HE2      GLN  65  -6.853   6.874  -6.490
  496    H    GLY  66           H        GLY  66  -1.531   4.813  -5.936
  497    HA2  GLY  66           2HA      GLY  66  -2.437   6.070  -3.627
  498    HA3  GLY  66           3HA      GLY  66  -0.767   5.622  -3.945
  499    H    ILE  67           H        ILE  67  -0.275   7.301  -6.156
  500    HA   ILE  67           HA       ILE  67   0.613   9.680  -4.976
  501    HB   ILE  67           HB       ILE  67   0.198   8.918  -7.902
  502   HG12  ILE  67          2HG1      ILE  67   2.772   9.117  -6.260
  503   HG13  ILE  67          3HG1      ILE  67   1.924   7.622  -6.630
  504   HG21  ILE  67          1HG2      ILE  67   1.644  11.402  -6.901
  505   HG22  ILE  67          2HG2      ILE  67   0.129  11.371  -7.800
  506   HG23  ILE  67          3HG2      ILE  67   1.617  10.831  -8.571
  507   HD11  ILE  67          3HD1      ILE  67   2.370   7.934  -8.998
  508   HD12  ILE  67          1HD1      ILE  67   3.860   7.963  -8.055
  509   HD13  ILE  67          2HD1      ILE  67   3.174   9.470  -8.655
  510    H    GLU  68           H        GLU  68  -2.263   8.993  -6.931
  511    HA   GLU  68           HA       GLU  68  -3.192  11.616  -7.370
  512    HB2  GLU  68           2HB      GLU  68  -4.827   9.049  -7.156
  513    HB3  GLU  68           3HB      GLU  68  -5.357  10.545  -7.927
  514    HG2  GLU  68           2HG      GLU  68  -3.538  10.287  -9.605
  515    HG3  GLU  68           3HG      GLU  68  -3.070   8.767  -8.842
  516    H    VAL  69           H        VAL  69  -3.930   9.246  -4.861
  517    HA   VAL  69           HA       VAL  69  -5.737  11.033  -3.450
  518    HB   VAL  69           HB       VAL  69  -6.146   9.191  -1.907
  519   HG11  VAL  69          1HG1      VAL  69  -7.103   7.552  -3.508
  520   HG12  VAL  69          2HG1      VAL  69  -6.129   8.243  -4.805
  521   HG13  VAL  69          3HG1      VAL  69  -7.390   9.210  -4.038
  522   HG21  VAL  69          3HG2      VAL  69  -5.046   6.992  -2.122
  523   HG22  VAL  69          1HG2      VAL  69  -3.867   8.248  -1.741
  524   HG23  VAL  69          2HG2      VAL  69  -3.991   7.628  -3.388
  525    H    ALA  70           H        ALA  70  -2.362  10.329  -3.359
  526    HA   ALA  70           HA       ALA  70  -1.827  10.940  -0.609
  527    HB1  ALA  70           3HB      ALA  70   0.059  11.030  -2.984
  528    HB2  ALA  70           1HB      ALA  70  -0.253   9.627  -1.961
  529    HB3  ALA  70           2HB      ALA  70   0.530  11.052  -1.281
  530    H    ARG  71           H        ARG  71  -1.616  12.774  -3.635
  531    HA   ARG  71           HA       ARG  71  -0.759  15.217  -2.429
  532    HB2  ARG  71           2HB      ARG  71  -1.189  16.230  -4.674
  533    HB3  ARG  71           3HB      ARG  71  -0.166  14.801  -4.732
  534    HG2  ARG  71           2HG      ARG  71  -2.142  13.455  -5.439
  535    HG3  ARG  71           3HG      ARG  71  -3.098  14.940  -5.487
  536    HD2  ARG  71           2HD      ARG  71  -0.624  14.365  -7.162
  537    HD3  ARG  71           3HD      ARG  71  -2.295  14.277  -7.733
  538    HE   ARG  71           HE       ARG  71  -2.140  16.804  -6.809
  539   HH11  ARG  71          1HH1      ARG  71  -0.053  15.048  -9.044
  540   HH12  ARG  71          2HH1      ARG  71   0.353  16.479  -9.937
  541   HH21  ARG  71          1HH2      ARG  71  -1.591  18.627  -8.007
  542   HH22  ARG  71          2HH2      ARG  71  -0.509  18.485  -9.356
  543    H    GLU  72           H        GLU  72  -3.961  13.855  -3.116
  544    HA   GLU  72           HA       GLU  72  -5.279  16.396  -2.449
  545    HB2  GLU  72           2HB      GLU  72  -6.422  13.719  -3.325
  546    HB3  GLU  72           3HB      GLU  72  -7.400  15.140  -2.958
  547    HG2  GLU  72           2HG      GLU  72  -6.124  16.386  -4.747
  548    HG3  GLU  72           3HG      GLU  72  -5.352  14.860  -5.179
  549    H    GLU  73           H        GLU  73  -5.459  13.039  -1.187
  550    HA   GLU  73           HA       GLU  73  -7.060  13.867   1.084
  551    HB2  GLU  73           2HB      GLU  73  -5.948  11.085   0.531
  552    HB3  GLU  73           3HB      GLU  73  -7.297  11.501   1.586
  553    HG2  GLU  73           2HG      GLU  73  -7.240  11.721  -1.443
  554    HG3  GLU  73           3HG      GLU  73  -8.067  10.479  -0.503
  555    H    GLY  74           H        GLY  74  -3.836  12.342   0.621
  556    HA2  GLY  74           2HA      GLY  74  -3.217  12.457   3.478
  557    HA3  GLY  74           3HA      GLY  74  -2.243  11.729   2.206
  558    H    THR  75           H        THR  75  -0.425  12.826   3.249
  559    HA   THR  75           HA       THR  75  -0.228  15.722   2.634
  560    HB   THR  75           HB       THR  75   1.581  15.850   4.302
  561    HG1  THR  75           HG1      THR  75   1.153  13.055   4.521
  562   HG21  THR  75          3HG2      THR  75  -0.721  16.145   5.176
  563   HG22  THR  75          1HG2      THR  75   0.329  15.375   6.372
  564   HG23  THR  75          2HG2      THR  75  -0.831  14.407   5.464
  565    H    GLN  76           H        GLN  76   2.205  16.350   2.317
  566    HA   GLN  76           HA       GLN  76   3.147  15.286  -0.124
  567    HB2  GLN  76           2HB      GLN  76   3.536  17.622   0.527
  568    HB3  GLN  76           3HB      GLN  76   4.499  17.114   1.907
  569    HG2  GLN  76           2HG      GLN  76   5.903  17.975   0.090
  570    HG3  GLN  76           3HG      GLN  76   6.253  16.283   0.427
  571   HE21  GLN  76          1HE2      GLN  76   4.827  18.511  -1.887
  572   HE22  GLN  76          2HE2      GLN  76   4.802  17.406  -3.215
  573    H    LYS  77           H        LYS  77   3.886  14.515   3.221
  574    HA   LYS  77           HA       LYS  77   6.269  13.077   3.015
  575    HB2  LYS  77           2HB      LYS  77   5.237  13.578   5.180
  576    HB3  LYS  77           3HB      LYS  77   3.854  12.560   4.789
  577    HG2  LYS  77           2HG      LYS  77   5.347  10.563   4.773
  578    HG3  LYS  77           3HG      LYS  77   6.707  11.596   5.224
  579    HD2  LYS  77           2HD      LYS  77   5.575  12.165   7.345
  580    HD3  LYS  77           3HD      LYS  77   4.191  11.168   6.884
  581    HE2  LYS  77           2HE      LYS  77   5.671   9.169   6.862
  582    HE3  LYS  77           3HE      LYS  77   7.023  10.177   7.382
  583    HZ1  LYS  77           3HZ      LYS  77   6.029   9.003   9.225
  584    HZ2  LYS  77           1HZ      LYS  77   4.523   9.696   8.903
  585    HZ3  LYS  77           2HZ      LYS  77   5.805  10.668   9.413
  586    H    ASP  78           H        ASP  78   2.918  11.987   2.560
  587    HA   ASP  78           HA       ASP  78   3.535   9.232   2.048
  588    HB2  ASP  78           2HB      ASP  78   0.972  10.724   1.328
  589    HB3  ASP  78           3HB      ASP  78   1.170   8.982   1.519
  590    H    LEU  79           H        LEU  79   2.794  12.064   0.084
  591    HA   LEU  79           HA       LEU  79   2.563  10.914  -2.459
  592    HB2  LEU  79           2HB      LEU  79   1.893  13.230  -1.876
  593    HB3  LEU  79           3HB      LEU  79   3.577  13.675  -1.659
  594    HG   LEU  79           HG       LEU  79   3.976  13.292  -4.099
  595   HD11  LEU  79          1HD1      LEU  79   0.986  12.779  -4.244
  596   HD12  LEU  79          2HD1      LEU  79   2.272  11.608  -4.554
  597   HD13  LEU  79          3HD1      LEU  79   2.066  12.985  -5.630
  598   HD21  LEU  79          3HD2      LEU  79   3.434  15.555  -3.301
  599   HD22  LEU  79          1HD2      LEU  79   1.709  15.233  -3.507
  600   HD23  LEU  79          2HD2      LEU  79   2.777  15.285  -4.912
  601    H    SER  80           H        SER  80   5.411  12.244  -0.778
  602    HA   SER  80           HA       SER  80   7.294  11.849  -2.852
  603    HB2  SER  80           2HB      SER  80   7.782  12.091   0.144
  604    HB3  SER  80           3HB      SER  80   8.997  12.292  -1.119
  605    HG   SER  80           HG       SER  80   6.656  13.858  -1.159
  606    H    GLU  81           H        GLU  81   6.215   9.803  -0.148
  607    HA   GLU  81           HA       GLU  81   8.215   7.802  -0.365
  608    HB2  GLU  81           2HB      GLU  81   5.434   7.766   0.862
  609    HB3  GLU  81           3HB      GLU  81   6.485   6.353   0.897
  610    HG2  GLU  81           2HG      GLU  81   7.054   9.049   2.160
  611    HG3  GLU  81           3HG      GLU  81   6.620   7.558   2.995
  612    H    LEU  82           H        LEU  82   5.015   8.114  -1.836
  613    HA   LEU  82           HA       LEU  82   4.953   5.493  -3.008
  614    HB2  LEU  82           2HB      LEU  82   3.303   7.992  -3.472
  615    HB3  LEU  82           3HB      LEU  82   2.951   6.447  -4.241
  616    HG   LEU  82           HG       LEU  82   3.086   6.728  -1.213
  617   HD11  LEU  82          1HD1      LEU  82   1.388   8.283  -1.990
  618   HD12  LEU  82          2HD1      LEU  82   0.660   6.903  -1.169
  619   HD13  LEU  82          3HD1      LEU  82   0.624   7.001  -2.929
  620   HD21  LEU  82          3HD2      LEU  82   1.731   4.672  -1.238
  621   HD22  LEU  82          1HD2      LEU  82   3.270   4.437  -2.066
  622   HD23  LEU  82          2HD2      LEU  82   1.786   4.644  -3.002
  623    H    GLN  83           H        GLN  83   5.751   8.728  -4.207
  624    HA   GLN  83           HA       GLN  83   6.160   8.015  -6.934
  625    HB2  GLN  83           2HB      GLN  83   7.189  10.383  -5.305
  626    HB3  GLN  83           3HB      GLN  83   7.407  10.222  -7.049
  627    HG2  GLN  83           2HG      GLN  83   4.960  10.218  -7.359
  628    HG3  GLN  83           3HG      GLN  83   4.734  10.370  -5.621
  629   HE21  GLN  83          1HE2      GLN  83   6.879  12.314  -5.256
  630   HE22  GLN  83          2HE2      GLN  83   6.313  13.797  -5.926
  631    H    ASP  84           H        ASP  84   8.325   8.372  -4.126
  632    HA   ASP  84           HA       ASP  84  10.786   7.743  -5.336
  633    HB2  ASP  84           2HB      ASP  84  10.796   8.717  -3.123
  634    HB3  ASP  84           3HB      ASP  84   9.819   7.409  -2.470
  635    H    ALA  85           H        ALA  85   8.354   5.685  -3.772
  636    HA   ALA  85           HA       ALA  85   9.859   3.308  -3.692
  637    HB1  ALA  85           3HB      ALA  85   7.905   3.692  -2.245
  638    HB2  ALA  85           1HB      ALA  85   7.756   2.175  -3.138
  639    HB3  ALA  85           2HB      ALA  85   6.841   3.597  -3.648
  640    H    LYS  86           H        LYS  86   7.465   4.489  -6.065
  641    HA   LYS  86           HA       LYS  86   7.607   2.134  -7.678
  642    HB2  LYS  86           2HB      LYS  86   6.237   3.270  -9.313
  643    HB3  LYS  86           3HB      LYS  86   5.606   3.567  -7.701
  644    HG2  LYS  86           2HG      LYS  86   6.637   5.829  -7.744
  645    HG3  LYS  86           3HG      LYS  86   7.189   5.531  -9.392
  646    HD2  LYS  86           2HD      LYS  86   4.293   5.596  -8.458
  647    HD3  LYS  86           3HD      LYS  86   5.115   6.871  -9.357
  648    HE2  LYS  86           2HE      LYS  86   4.611   4.059 -10.389
  649    HE3  LYS  86           3HE      LYS  86   3.653   5.481 -10.790
  650    HZ1  LYS  86           3HZ      LYS  86   5.666   6.477 -11.743
  651    HZ2  LYS  86           1HZ      LYS  86   5.229   5.043 -12.524
  652    HZ3  LYS  86           2HZ      LYS  86   6.518   5.055 -11.434
  653    H    LEU  87           H        LEU  87   9.417   5.233  -7.765
  654    HA   LEU  87           HA       LEU  87  10.438   4.736 -10.404
  655    HB2  LEU  87           2HB      LEU  87  11.883   6.678 -10.133
  656    HB3  LEU  87           3HB      LEU  87  10.229   7.034  -9.698
  657    HG   LEU  87           HG       LEU  87  11.052   6.789  -7.224
  658   HD11  LEU  87          1HD1      LEU  87  13.269   5.842  -7.591
  659   HD12  LEU  87          2HD1      LEU  87  13.404   7.420  -6.821
  660   HD13  LEU  87          3HD1      LEU  87  13.745   7.251  -8.544
  661   HD21  LEU  87          3HD2      LEU  87  11.696   9.167  -7.144
  662   HD22  LEU  87          1HD2      LEU  87  10.308   8.905  -8.200
  663   HD23  LEU  87          2HD2      LEU  87  11.908   9.174  -8.897
  664    H    LYS  88           H        LYS  88  11.707   4.169  -7.112
  665    HA   LYS  88           HA       LYS  88  14.161   3.032  -8.049
  666    HB2  LYS  88           2HB      LYS  88  14.563   2.287  -5.768
  667    HB3  LYS  88           3HB      LYS  88  14.017   3.955  -5.781
  668    HG2  LYS  88           2HG      LYS  88  11.902   3.396  -4.846
  669    HG3  LYS  88           3HG      LYS  88  12.131   1.671  -5.161
  670    HD2  LYS  88           2HD      LYS  88  13.972   1.611  -3.523
  671    HD3  LYS  88           3HD      LYS  88  13.767   3.334  -3.197
  672    HE2  LYS  88           2HE      LYS  88  11.547   1.320  -2.757
  673    HE3  LYS  88           3HE      LYS  88  12.733   1.697  -1.508
  674    HZ1  LYS  88           3HZ      LYS  88  10.647   2.974  -1.341
  675    HZ2  LYS  88           1HZ      LYS  88  11.000   3.720  -2.814
  676    HZ3  LYS  88           2HZ      LYS  88  12.013   3.953  -1.487
  677    H    ALA  89           H        ALA  89  10.944   1.710  -7.344
  678    HA   ALA  89           HA       ALA  89  11.530  -1.027  -7.694
  679    HB1  ALA  89           3HB      ALA  89   9.413  -0.245  -6.719
  680    HB2  ALA  89           1HB      ALA  89   9.129  -1.335  -8.080
  681    HB3  ALA  89           2HB      ALA  89   8.922   0.407  -8.283
  682    H    GLU  90           H        GLU  90  11.050   1.540 -10.082
  683    HA   GLU  90           HA       GLU  90  10.872   0.018 -12.419
  684    HB2  GLU  90           2HB      GLU  90  12.295   2.679 -12.033
  685    HB3  GLU  90           3HB      GLU  90  11.899   1.971 -13.597
  686    HG2  GLU  90           2HG      GLU  90   9.878   2.791 -11.492
  687    HG3  GLU  90           3HG      GLU  90  10.320   3.754 -12.895
  688    H    GLY  91           H        GLY  91  13.582   0.496 -10.294
  689    HA2  GLY  91           2HA      GLY  91  15.688  -0.435 -11.980
  690    HA3  GLY  91           3HA      GLY  91  15.704  -0.334 -10.229
  691    H    LEU  92           H        LEU  92  13.042  -2.156 -10.922
  692    HA   LEU  92           HA       LEU  92  14.376  -4.731 -10.580
  693    HB2  LEU  92           2HB      LEU  92  11.428  -3.976 -10.608
  694    HB3  LEU  92           3HB      LEU  92  12.023  -5.612 -10.363
  695    HG   LEU  92           HG       LEU  92  12.592  -3.272  -8.500
  696   HD11  LEU  92          1HD1      LEU  92  10.621  -5.555  -8.151
  697   HD12  LEU  92          2HD1      LEU  92  10.212  -3.864  -8.444
  698   HD13  LEU  92          3HD1      LEU  92  11.007  -4.326  -6.942
  699   HD21  LEU  92          3HD2      LEU  92  14.376  -4.955  -8.447
  700   HD22  LEU  92          1HD2      LEU  92  13.191  -6.237  -8.170
  701   HD23  LEU  92          2HD2      LEU  92  13.451  -4.989  -6.948
  702    H    GLU  93           H        GLU  93  11.675  -3.563 -12.689
  703    HA   GLU  93           HA       GLU  93  12.727  -4.896 -15.026
  704    HB2  GLU  93           2HB      GLU  93  10.747  -6.482 -15.230
  705    HB3  GLU  93           3HB      GLU  93  11.920  -6.900 -13.992
  706    HG2  GLU  93           2HG      GLU  93  10.469  -6.253 -12.231
  707    HG3  GLU  93           3HG      GLU  93   9.403  -5.372 -13.319
  708    H    HIS  94           H        HIS  94   9.737  -3.597 -13.541
  709    HA   HIS  94           HA       HIS  94   7.803  -2.810 -14.360
  710    HB2  HIS  94           2HB      HIS  94   9.301  -0.785 -14.593
  711    HB3  HIS  94           3HB      HIS  94   9.544  -1.209 -16.286
  712    HD1  HIS  94           HD1      HIS  94   6.911   0.043 -13.907
  713    HD2  HIS  94           HD2      HIS  94   7.394  -0.555 -17.986
  714    HE1  HIS  94           HE1      HIS  94   4.914   1.108 -14.980
  715    HE2  HIS  94           HE2      HIS  94   5.167   0.618 -17.435
  716    H    HIS  95           H        HIS  95   7.535  -5.097 -15.152
  717    HA   HIS  95           HA       HIS  95   6.653  -6.567 -16.639
  718    HB2  HIS  95           2HB      HIS  95   5.104  -4.491 -16.936
  719    HB3  HIS  95           3HB      HIS  95   5.965  -4.200 -18.438
  720    HD1  HIS  95           HD1      HIS  95   3.441  -6.436 -16.857
  721    HD2  HIS  95           HD2      HIS  95   5.310  -6.006 -20.538
  722    HE1  HIS  95           HE1      HIS  95   2.112  -7.840 -18.457
  723    HE2  HIS  95           HE2      HIS  95   3.131  -7.380 -20.700
  724    H    HIS  96           H        HIS  96   9.403  -6.237 -16.797
  725    HA   HIS  96           HA       HIS  96  10.603  -5.438 -19.166
  726    HB2  HIS  96           2HB      HIS  96  11.908  -5.873 -17.159
  727    HB3  HIS  96           3HB      HIS  96  11.481  -7.577 -17.178
  728    HD1  HIS  96           HD1      HIS  96  13.655  -5.057 -18.931
  729    HD2  HIS  96           HD2      HIS  96  13.099  -9.173 -18.791
  730    HE1  HIS  96           HE1      HIS  96  15.591  -6.043 -20.181
  731    HE2  HIS  96           HE2      HIS  96  15.077  -8.497 -20.300
  732    H    HIS  97           H        HIS  97   9.560  -8.694 -18.259
  733    HA   HIS  97           HA       HIS  97   9.136 -10.612 -19.330
  734    HB2  HIS  97           2HB      HIS  97   7.381  -9.258 -20.446
  735    HB3  HIS  97           3HB      HIS  97   8.525  -8.783 -21.696
  736    HD1  HIS  97           HD1      HIS  97   6.804 -11.899 -20.377
  737    HD2  HIS  97           HD2      HIS  97   8.632 -10.524 -23.846
  738    HE1  HIS  97           HE1      HIS  97   6.397 -13.673 -22.099
  739    HE2  HIS  97           HE2      HIS  97   7.719 -12.927 -24.101
  740    H    HIS  98           H        HIS  98  11.273 -11.380 -19.168
  741    HA   HIS  98           HA       HIS  98  13.368 -10.777 -20.979
  742    HB2  HIS  98           2HB      HIS  98  13.699 -11.789 -18.695
  743    HB3  HIS  98           3HB      HIS  98  13.058 -13.312 -19.299
  744    HD1  HIS  98           HD1      HIS  98  14.532 -14.154 -21.610
  745    HD2  HIS  98           HD2      HIS  98  16.389 -11.751 -18.778
  746    HE1  HIS  98           HE1      HIS  98  16.986 -14.408 -22.016
  747    HE2  HIS  98           HE2      HIS  98  18.088 -13.083 -20.192
  748    H    HIS  99           H        HIS  99  13.192 -11.169 -23.117
  749    HA   HIS  99           HA       HIS  99  11.871 -13.547 -24.167
  750    HB2  HIS  99           2HB      HIS  99  11.631 -11.357 -25.333
  751    HB3  HIS  99           3HB      HIS  99  13.368 -11.316 -25.616
  752    HD1  HIS  99           HD1      HIS  99  14.064 -12.185 -27.837
  753    HD2  HIS  99           HD2      HIS  99  10.416 -13.777 -26.638
  754    HE1  HIS  99           HE1      HIS  99  13.286 -13.608 -29.752
  755    HE2  HIS  99           HE2      HIS  99  10.990 -14.394 -29.080
  Start of MODEL    5
    1    H1   GLU   1           1H       GLU   1  -8.568  -6.274  18.016
    2    H2   GLU   1           2H       GLU   1  -7.647  -5.220  18.965
    3    H3   GLU   1           3H       GLU   1  -7.696  -5.027  17.282
    4    HA   GLU   1           HA       GLU   1 -10.001  -4.712  19.116
    5    HB2  GLU   1           2HB      GLU   1  -8.544  -2.565  17.509
    6    HB3  GLU   1           3HB      GLU   1  -9.850  -2.305  18.663
    7    HG2  GLU   1           2HG      GLU   1  -7.005  -3.175  19.247
    8    HG3  GLU   1           3HG      GLU   1  -7.771  -1.654  19.690
    9    H    ASP   2           H        ASP   2 -11.502  -2.988  17.508
   10    HA   ASP   2           HA       ASP   2 -12.688  -4.907  15.780
   11    HB2  ASP   2           2HB      ASP   2 -14.412  -3.322  15.296
   12    HB3  ASP   2           3HB      ASP   2 -14.013  -3.159  17.000
   13    HA   PRO   3           HA       PRO   3 -10.249  -3.776  12.162
   14    HB2  PRO   3           2HB      PRO   3 -10.871  -5.848  10.587
   15    HB3  PRO   3           3HB      PRO   3  -9.971  -6.106  12.088
   16    HG2  PRO   3           2HG      PRO   3 -12.904  -6.539  11.539
   17    HG3  PRO   3           3HG      PRO   3 -11.761  -7.573  12.425
   18    HD2  PRO   3           2HD      PRO   3 -13.522  -5.753  13.614
   19    HD3  PRO   3           3HD      PRO   3 -12.061  -6.401  14.392
   20    H    GLU   4           H        GLU   4 -13.339  -3.009  12.619
   21    HA   GLU   4           HA       GLU   4 -14.178  -2.391   9.920
   22    HB2  GLU   4           2HB      GLU   4 -15.196  -1.429  12.634
   23    HB3  GLU   4           3HB      GLU   4 -15.875  -0.882  11.110
   24    HG2  GLU   4           2HG      GLU   4 -17.295  -2.576  12.041
   25    HG3  GLU   4           3HG      GLU   4 -16.545  -3.189  10.572
   26    H    ASP   5           H        ASP   5 -12.517  -0.745  12.575
   27    HA   ASP   5           HA       ASP   5 -12.402   1.858  11.475
   28    HB2  ASP   5           2HB      ASP   5 -11.933   1.362  13.862
   29    HB3  ASP   5           3HB      ASP   5 -10.483   0.481  13.400
   30    HA   PRO   6           HA       PRO   6  -9.721   1.214   7.921
   31    HB2  PRO   6           2HB      PRO   6  -8.901   4.069   8.465
   32    HB3  PRO   6           3HB      PRO   6  -9.447   3.327   6.951
   33    HG2  PRO   6           2HG      PRO   6 -11.101   4.870   8.371
   34    HG3  PRO   6           3HG      PRO   6 -11.703   3.387   7.594
   35    HD2  PRO   6           2HD      PRO   6 -11.036   3.880  10.493
   36    HD3  PRO   6           3HD      PRO   6 -12.367   2.940   9.785
   37    H    PHE   7           H        PHE   7  -8.190   3.132  10.562
   38    HA   PHE   7           HA       PHE   7  -5.531   2.387   9.920
   39    HB2  PHE   7           2HB      PHE   7  -5.980   4.425  11.196
   40    HB3  PHE   7           3HB      PHE   7  -6.671   3.491  12.519
   41    HD1  PHE   7           HD1      PHE   7  -3.469   3.955  10.608
   42    HD2  PHE   7           HD2      PHE   7  -5.256   2.829  14.330
   43    HE1  PHE   7           HE1      PHE   7  -1.241   3.792  11.633
   44    HE2  PHE   7           HE2      PHE   7  -3.017   2.680  15.350
   45    HZ   PHE   7           HZ       PHE   7  -1.010   3.157  14.003
   46    H    THR   8           H        THR   8  -7.981   0.824  11.910
   47    HA   THR   8           HA       THR   8  -6.070  -0.737  13.431
   48    HB   THR   8           HB       THR   8  -9.096  -1.042  13.284
   49    HG1  THR   8           HG1      THR   8  -8.063   0.984  14.136
   50   HG21  THR   8          3HG2      THR   8  -8.058  -3.118  14.128
   51   HG22  THR   8          1HG2      THR   8  -8.851  -2.259  15.450
   52   HG23  THR   8          2HG2      THR   8  -7.097  -2.188  15.278
   53    H    ARG   9           H        ARG   9  -8.195  -1.367  10.619
   54    HA   ARG   9           HA       ARG   9  -7.455  -4.158  10.388
   55    HB2  ARG   9           2HB      ARG   9  -8.721  -4.151   8.288
   56    HB3  ARG   9           3HB      ARG   9  -9.633  -3.345   9.555
   57    HG2  ARG   9           2HG      ARG   9  -8.525  -1.165   8.481
   58    HG3  ARG   9           3HG      ARG   9  -8.413  -2.209   7.065
   59    HD2  ARG   9           2HD      ARG   9 -10.937  -1.471   8.579
   60    HD3  ARG   9           3HD      ARG   9 -10.458  -0.868   6.994
   61    HE   ARG   9           HE       ARG   9 -10.592  -3.585   6.666
   62   HH11  ARG   9          1HH1      ARG   9 -12.873  -1.102   7.682
   63   HH12  ARG   9          2HH1      ARG   9 -14.255  -2.026   7.197
   64   HH21  ARG   9          1HH2      ARG   9 -12.448  -4.765   6.090
   65   HH22  ARG   9          2HH2      ARG   9 -14.023  -4.076   6.317
   66    H    TYR  10           H        TYR  10  -6.266  -1.124   9.181
   67    HA   TYR  10           HA       TYR  10  -4.287  -1.996   7.350
   68    HB2  TYR  10           2HB      TYR  10  -4.921   0.296   7.330
   69    HB3  TYR  10           3HB      TYR  10  -4.688   0.475   9.057
   70    HD1  TYR  10           HD2      TYR  10  -2.680  -0.179   5.917
   71    HD2  TYR  10           HD1      TYR  10  -2.775   1.599   9.803
   72    HE1  TYR  10           HE2      TYR  10  -0.494   0.878   5.503
   73    HE2  TYR  10           HE1      TYR  10  -0.607   2.644   9.377
   74    HH   TYR  10           HH       TYR  10   1.329   2.362   7.987
   75    H    ALA  11           H        ALA  11  -4.116  -1.234  10.816
   76    HA   ALA  11           HA       ALA  11  -1.387  -1.902  11.229
   77    HB1  ALA  11           3HB      ALA  11  -2.628  -0.373  12.718
   78    HB2  ALA  11           1HB      ALA  11  -1.933  -1.718  13.626
   79    HB3  ALA  11           2HB      ALA  11  -3.657  -1.706  13.243
   80    H    LEU  12           H        LEU  12  -4.407  -3.684  11.409
   81    HA   LEU  12           HA       LEU  12  -3.516  -6.082  12.594
   82    HB2  LEU  12           2HB      LEU  12  -5.885  -5.456  12.417
   83    HB3  LEU  12           3HB      LEU  12  -5.809  -5.560  10.671
   84    HG   LEU  12           HG       LEU  12  -5.440  -8.030  10.841
   85   HD11  LEU  12          1HD1      LEU  12  -5.880  -7.640  13.825
   86   HD12  LEU  12          2HD1      LEU  12  -4.381  -8.162  13.048
   87   HD13  LEU  12          3HD1      LEU  12  -5.808  -9.189  12.979
   88   HD21  LEU  12          3HD2      LEU  12  -7.713  -7.160  10.506
   89   HD22  LEU  12          1HD2      LEU  12  -7.940  -7.019  12.253
   90   HD23  LEU  12          2HD2      LEU  12  -7.745  -8.609  11.509
   91    H    ALA  13           H        ALA  13  -3.765  -5.023   9.222
   92    HA   ALA  13           HA       ALA  13  -2.809  -7.334   7.942
   93    HB1  ALA  13           3HB      ALA  13  -3.924  -5.485   6.753
   94    HB2  ALA  13           1HB      ALA  13  -2.368  -5.876   6.024
   95    HB3  ALA  13           2HB      ALA  13  -2.529  -4.448   7.047
   96    H    GLN  14           H        GLN  14  -1.101  -4.493   9.240
   97    HA   GLN  14           HA       GLN  14   1.529  -5.259   8.510
   98    HB2  GLN  14           2HB      GLN  14   0.570  -3.449  10.763
   99    HB3  GLN  14           3HB      GLN  14   2.240  -3.561  10.204
  100    HG2  GLN  14           2HG      GLN  14   1.596  -2.701   7.997
  101    HG3  GLN  14           3HG      GLN  14  -0.101  -2.668   8.487
  102   HE21  GLN  14          1HE2      GLN  14   3.030  -1.160   8.903
  103   HE22  GLN  14          2HE2      GLN  14   2.450   0.284   9.649
  104    H    GLU  15           H        GLU  15  -0.483  -6.083  11.322
  105    HA   GLU  15           HA       GLU  15   1.481  -7.428  12.870
  106    HB2  GLU  15           2HB      GLU  15  -1.516  -7.913  12.653
  107    HB3  GLU  15           3HB      GLU  15  -0.485  -8.742  13.819
  108    HG2  GLU  15           2HG      GLU  15   0.067  -6.571  14.860
  109    HG3  GLU  15           3HG      GLU  15  -0.969  -5.751  13.693
  110    H    HIS  16           H        HIS  16  -0.758  -8.565  10.332
  111    HA   HIS  16           HA       HIS  16  -0.037 -11.278  10.342
  112    HB2  HIS  16           2HB      HIS  16  -1.255  -9.580   8.139
  113    HB3  HIS  16           3HB      HIS  16  -1.030 -11.319   7.987
  114    HD1  HIS  16           HD1      HIS  16  -2.226 -12.689  10.134
  115    HD2  HIS  16           HD2      HIS  16  -3.734  -8.984   9.043
  116    HE1  HIS  16           HE1      HIS  16  -4.537 -12.592  11.099
  117    HE2  HIS  16           HE2      HIS  16  -5.499 -10.450  10.208
  118    H    LEU  17           H        LEU  17   1.336  -8.543   8.494
  119    HA   LEU  17           HA       LEU  17   3.202  -9.873   6.908
  120    HB2  LEU  17           2HB      LEU  17   3.352  -7.173   8.307
  121    HB3  LEU  17           3HB      LEU  17   4.584  -7.712   7.178
  122    HG   LEU  17           HG       LEU  17   1.649  -7.306   6.456
  123   HD11  LEU  17          1HD1      LEU  17   4.018  -5.498   5.849
  124   HD12  LEU  17          2HD1      LEU  17   2.697  -5.141   6.962
  125   HD13  LEU  17          3HD1      LEU  17   2.374  -5.290   5.237
  126   HD21  LEU  17          3HD2      LEU  17   2.742  -9.000   5.057
  127   HD22  LEU  17          1HD2      LEU  17   4.056  -7.874   4.690
  128   HD23  LEU  17          2HD2      LEU  17   2.417  -7.540   4.127
  129    H    LYS  18           H        LYS  18   3.533  -8.692  10.233
  130    HA   LYS  18           HA       LYS  18   6.219  -9.544  10.653
  131    HB2  LYS  18           2HB      LYS  18   4.022  -8.805  12.630
  132    HB3  LYS  18           3HB      LYS  18   5.725  -8.985  13.056
  133    HG2  LYS  18           2HG      LYS  18   6.338  -7.069  11.702
  134    HG3  LYS  18           3HG      LYS  18   4.718  -6.970  11.012
  135    HD2  LYS  18           2HD      LYS  18   4.975  -5.220  12.686
  136    HD3  LYS  18           3HD      LYS  18   3.810  -6.410  13.269
  137    HE2  LYS  18           2HE      LYS  18   5.593  -7.423  14.678
  138    HE3  LYS  18           3HE      LYS  18   6.721  -6.188  14.113
  139    HZ1  LYS  18           3HZ      LYS  18   5.275  -4.502  15.097
  140    HZ2  LYS  18           1HZ      LYS  18   5.812  -5.615  16.254
  141    HZ3  LYS  18           2HZ      LYS  18   4.235  -5.710  15.657
  142    H    HIS  19           H        HIS  19   3.081 -11.033  11.211
  143    HA   HIS  19           HA       HIS  19   4.257 -13.408  12.496
  144    HB2  HIS  19           2HB      HIS  19   1.419 -12.353  12.303
  145    HB3  HIS  19           3HB      HIS  19   1.781 -13.952  12.939
  146    HD1  HIS  19           HD1      HIS  19   2.139 -14.044  15.379
  147    HD2  HIS  19           HD2      HIS  19   2.804 -10.231  13.879
  148    HE1  HIS  19           HE1      HIS  19   2.688 -12.625  17.374
  149    HE2  HIS  19           HE2      HIS  19   3.193 -10.351  16.430
  150    H    ASP  20           H        ASP  20   4.482 -12.856   9.596
  151    HA   ASP  20           HA       ASP  20   5.091 -14.308   7.962
  152    HB2  ASP  20           2HB      ASP  20   5.411 -16.030   9.708
  153    HB3  ASP  20           3HB      ASP  20   3.717 -16.486   9.593
  154    H    ASN  21           H        ASN  21   1.805 -13.871   8.788
  155    HA   ASN  21           HA       ASN  21   0.651 -15.200   6.477
  156    HB2  ASN  21           2HB      ASN  21  -0.617 -13.461   8.635
  157    HB3  ASN  21           3HB      ASN  21  -1.515 -14.289   7.373
  158   HD21  ASN  21          1HD2      ASN  21   0.087 -16.737   7.510
  159   HD22  ASN  21          2HD2      ASN  21  -0.344 -17.511   8.988
  160    H    ALA  22           H        ALA  22   2.253 -13.711   5.200
  161    HA   ALA  22           HA       ALA  22   1.641 -10.993   4.728
  162    HB1  ALA  22           3HB      ALA  22   3.067 -12.981   2.926
  163    HB2  ALA  22           1HB      ALA  22   3.828 -11.990   4.176
  164    HB3  ALA  22           2HB      ALA  22   3.098 -11.226   2.765
  165    H    SER  23           H        SER  23   0.494 -14.009   3.301
  166    HA   SER  23           HA       SER  23  -1.120 -13.158   1.221
  167    HB2  SER  23           2HB      SER  23  -2.417 -15.278   1.689
  168    HB3  SER  23           3HB      SER  23  -0.671 -15.520   1.666
  169    HG   SER  23           HG       SER  23  -2.378 -16.056   3.630
  170    H    ARG  24           H        ARG  24  -1.953 -13.361   4.700
  171    HA   ARG  24           HA       ARG  24  -4.692 -12.527   4.389
  172    HB2  ARG  24           2HB      ARG  24  -2.935 -12.693   6.881
  173    HB3  ARG  24           3HB      ARG  24  -4.685 -12.473   6.879
  174    HG2  ARG  24           2HG      ARG  24  -3.244 -14.914   5.792
  175    HG3  ARG  24           3HG      ARG  24  -3.987 -14.796   7.389
  176    HD2  ARG  24           2HD      ARG  24  -6.191 -14.373   6.276
  177    HD3  ARG  24           3HD      ARG  24  -5.414 -14.653   4.710
  178    HE   ARG  24           HE       ARG  24  -4.798 -16.875   6.209
  179   HH11  ARG  24          1HH1      ARG  24  -7.817 -15.400   5.176
  180   HH12  ARG  24          2HH1      ARG  24  -8.691 -16.898   5.206
  181   HH21  ARG  24          1HH2      ARG  24  -5.960 -18.826   6.222
  182   HH22  ARG  24          2HH2      ARG  24  -7.640 -18.830   5.790
  183    H    ALA  25           H        ALA  25  -1.640 -10.994   5.177
  184    HA   ALA  25           HA       ALA  25  -2.530  -8.396   5.891
  185    HB1  ALA  25           3HB      ALA  25  -0.242  -9.218   6.323
  186    HB2  ALA  25           1HB      ALA  25  -0.207  -7.727   5.382
  187    HB3  ALA  25           2HB      ALA  25   0.081  -9.280   4.588
  188    H    LEU  26           H        LEU  26  -1.732  -9.974   2.864
  189    HA   LEU  26           HA       LEU  26  -1.794  -7.786   1.084
  190    HB2  LEU  26           2HB      LEU  26  -0.836 -10.090   0.609
  191    HB3  LEU  26           3HB      LEU  26  -2.475 -10.693   0.475
  192    HG   LEU  26           HG       LEU  26  -2.829  -9.129  -1.481
  193   HD11  LEU  26          1HD1      LEU  26  -0.877  -8.129  -2.583
  194   HD12  LEU  26          2HD1      LEU  26   0.161  -8.656  -1.260
  195   HD13  LEU  26          3HD1      LEU  26  -1.100  -7.459  -0.969
  196   HD21  LEU  26          3HD2      LEU  26  -1.570 -10.480  -3.101
  197   HD22  LEU  26          1HD2      LEU  26  -2.270 -11.504  -1.849
  198   HD23  LEU  26          2HD2      LEU  26  -0.549 -11.113  -1.808
  199    H    ALA  27           H        ALA  27  -4.187 -10.203   2.002
  200    HA   ALA  27           HA       ALA  27  -6.427  -9.457   0.588
  201    HB1  ALA  27           3HB      ALA  27  -6.333 -10.556   3.417
  202    HB2  ALA  27           1HB      ALA  27  -6.217 -11.511   1.938
  203    HB3  ALA  27           2HB      ALA  27  -7.708 -10.645   2.310
  204    H    LEU  28           H        LEU  28  -5.432  -8.243   3.814
  205    HA   LEU  28           HA       LEU  28  -7.726  -6.604   4.208
  206    HB2  LEU  28           2HB      LEU  28  -5.034  -6.638   5.587
  207    HB3  LEU  28           3HB      LEU  28  -6.355  -5.595   6.095
  208    HG   LEU  28           HG       LEU  28  -6.461  -8.646   6.078
  209   HD11  LEU  28          1HD1      LEU  28  -4.911  -7.805   7.782
  210   HD12  LEU  28          2HD1      LEU  28  -6.354  -8.494   8.523
  211   HD13  LEU  28          3HD1      LEU  28  -6.170  -6.741   8.415
  212   HD21  LEU  28          3HD2      LEU  28  -8.466  -6.621   7.158
  213   HD22  LEU  28          1HD2      LEU  28  -8.565  -8.376   7.333
  214   HD23  LEU  28          2HD2      LEU  28  -8.688  -7.647   5.735
  215    H    PHE  29           H        PHE  29  -4.508  -5.909   2.868
  216    HA   PHE  29           HA       PHE  29  -4.897  -3.076   2.706
  217    HB2  PHE  29           2HB      PHE  29  -2.954  -4.903   1.257
  218    HB3  PHE  29           3HB      PHE  29  -2.957  -3.155   1.085
  219    HD1  PHE  29           HD1      PHE  29  -3.251  -2.160   3.833
  220    HD2  PHE  29           HD2      PHE  29  -0.963  -5.472   2.371
  221    HE1  PHE  29           HE1      PHE  29  -1.674  -1.923   5.715
  222    HE2  PHE  29           HE2      PHE  29   0.592  -5.227   4.257
  223    HZ   PHE  29           HZ       PHE  29   0.242  -3.457   5.935
  224    H    GLU  30           H        GLU  30  -5.251  -5.751   0.354
  225    HA   GLU  30           HA       GLU  30  -6.175  -4.357  -1.891
  226    HB2  GLU  30           2HB      GLU  30  -6.862  -7.161  -0.899
  227    HB3  GLU  30           3HB      GLU  30  -7.333  -6.558  -2.484
  228    HG2  GLU  30           2HG      GLU  30  -4.974  -6.324  -3.122
  229    HG3  GLU  30           3HG      GLU  30  -4.474  -6.846  -1.517
  230    H    GLU  31           H        GLU  31  -7.855  -5.541   0.967
  231    HA   GLU  31           HA       GLU  31 -10.533  -4.985   0.245
  232    HB2  GLU  31           2HB      GLU  31  -9.916  -6.543   2.038
  233    HB3  GLU  31           3HB      GLU  31  -9.138  -5.250   2.938
  234    HG2  GLU  31           2HG      GLU  31 -11.375  -4.163   3.231
  235    HG3  GLU  31           3HG      GLU  31 -12.108  -5.552   2.417
  236    H    LEU  32           H        LEU  32  -8.048  -3.192   2.029
  237    HA   LEU  32           HA       LEU  32  -9.580  -0.967   2.754
  238    HB2  LEU  32           2HB      LEU  32  -6.681  -1.620   2.653
  239    HB3  LEU  32           3HB      LEU  32  -7.078   0.085   2.740
  240    HG   LEU  32           HG       LEU  32  -8.150  -1.921   4.758
  241   HD11  LEU  32          1HD1      LEU  32  -6.366  -1.212   6.287
  242   HD12  LEU  32          2HD1      LEU  32  -5.637  -0.256   4.997
  243   HD13  LEU  32          3HD1      LEU  32  -5.704  -2.013   4.859
  244   HD21  LEU  32          3HD2      LEU  32  -9.382   0.225   4.602
  245   HD22  LEU  32          1HD2      LEU  32  -7.871   1.111   4.848
  246   HD23  LEU  32          2HD2      LEU  32  -8.520   0.092   6.132
  247    H    VAL  33           H        VAL  33  -7.698  -1.580  -0.226
  248    HA   VAL  33           HA       VAL  33  -7.919   1.034  -1.295
  249    HB   VAL  33           HB       VAL  33  -7.512  -1.633  -2.722
  250   HG11  VAL  33          1HG1      VAL  33  -8.464  -0.051  -4.342
  251   HG12  VAL  33          2HG1      VAL  33  -6.761  -0.326  -4.707
  252   HG13  VAL  33          3HG1      VAL  33  -7.266   1.168  -3.905
  253   HG21  VAL  33          3HG2      VAL  33  -5.551   0.576  -1.973
  254   HG22  VAL  33          1HG2      VAL  33  -5.152  -0.886  -2.886
  255   HG23  VAL  33          2HG2      VAL  33  -5.681  -1.010  -1.212
  256    H    GLU  34           H        GLU  34  -9.882  -1.906  -1.848
  257    HA   GLU  34           HA       GLU  34 -11.656  -0.665  -3.687
  258    HB2  GLU  34           2HB      GLU  34 -12.999  -2.752  -3.522
  259    HB3  GLU  34           3HB      GLU  34 -11.286  -3.041  -3.800
  260    HG2  GLU  34           2HG      GLU  34 -11.020  -3.511  -1.347
  261    HG3  GLU  34           3HG      GLU  34 -12.768  -3.373  -1.179
  262    H    THR  35           H        THR  35 -11.886  -1.053  -0.112
  263    HA   THR  35           HA       THR  35 -14.604  -0.034  -0.073
  264    HB   THR  35           HB       THR  35 -14.378  -0.268   2.419
  265    HG1  THR  35           HG1      THR  35 -12.174   0.035   2.731
  266   HG21  THR  35          3HG2      THR  35 -13.533  -2.761   0.883
  267   HG22  THR  35          1HG2      THR  35 -15.194  -2.190   1.094
  268   HG23  THR  35          2HG2      THR  35 -14.262  -2.727   2.490
  269    H    ASP  36           H        ASP  36 -11.316   1.073   0.675
  270    HA   ASP  36           HA       ASP  36 -12.274   3.837   1.185
  271    HB2  ASP  36           2HB      ASP  36 -10.073   2.406   2.753
  272    HB3  ASP  36           3HB      ASP  36 -10.520   4.099   2.940
  273    HA   PRO  37           HA       PRO  37  -9.073   3.521  -2.238
  274    HB2  PRO  37           2HB      PRO  37 -10.241   5.251  -3.994
  275    HB3  PRO  37           3HB      PRO  37 -10.792   3.579  -3.813
  276    HG2  PRO  37           2HG      PRO  37 -11.935   6.094  -2.593
  277    HG3  PRO  37           3HG      PRO  37 -12.781   4.765  -3.413
  278    HD2  PRO  37           2HD      PRO  37 -12.635   4.945  -0.700
  279    HD3  PRO  37           3HD      PRO  37 -12.689   3.379  -1.541
  280    H    ASP  38           H        ASP  38  -9.983   5.912  -0.110
  281    HA   ASP  38           HA       ASP  38  -8.240   8.044  -1.085
  282    HB2  ASP  38           2HB      ASP  38  -9.267   9.408   0.694
  283    HB3  ASP  38           3HB      ASP  38 -10.507   8.644  -0.287
  284    H    TYR  39           H        TYR  39  -8.305   5.497   1.326
  285    HA   TYR  39           HA       TYR  39  -6.451   6.542   3.189
  286    HB2  TYR  39           2HB      TYR  39  -8.070   4.509   3.446
  287    HB3  TYR  39           3HB      TYR  39  -6.814   3.553   2.667
  288    HD1  TYR  39           HD2      TYR  39  -4.636   3.175   3.849
  289    HD2  TYR  39           HD1      TYR  39  -7.809   5.291   5.762
  290    HE1  TYR  39           HE2      TYR  39  -3.523   2.881   6.011
  291    HE2  TYR  39           HE1      TYR  39  -6.680   5.006   7.927
  292    HH   TYR  39           HH       TYR  39  -3.461   3.834   8.189
  293    H    VAL  40           H        VAL  40  -4.481   7.208   2.587
  294    HA   VAL  40           HA       VAL  40  -3.125   6.339   0.210
  295    HB   VAL  40           HB       VAL  40  -2.114   8.155   2.456
  296   HG11  VAL  40          1HG1      VAL  40  -0.570   9.083   0.752
  297   HG12  VAL  40          2HG1      VAL  40  -1.118   7.869  -0.406
  298   HG13  VAL  40          3HG1      VAL  40  -0.256   7.374   1.053
  299   HG21  VAL  40          3HG2      VAL  40  -4.208   9.023   1.497
  300   HG22  VAL  40          1HG2      VAL  40  -3.536   8.897  -0.133
  301   HG23  VAL  40          2HG2      VAL  40  -2.852  10.042   1.021
  302    H    GLY  41           H        GLY  41  -2.696   5.717   3.664
  303    HA2  GLY  41           2HA      GLY  41  -0.062   4.716   3.721
  304    HA3  GLY  41           3HA      GLY  41  -1.313   4.380   4.906
  305    H    THR  42           H        THR  42  -3.110   3.153   2.994
  306    HA   THR  42           HA       THR  42  -2.384   0.459   3.050
  307    HB   THR  42           HB       THR  42  -4.412   1.926   1.309
  308    HG1  THR  42           HG1      THR  42  -5.808   1.398   2.900
  309   HG21  THR  42          3HG2      THR  42  -5.464  -0.280   0.943
  310   HG22  THR  42          1HG2      THR  42  -4.113  -1.064   1.766
  311   HG23  THR  42          2HG2      THR  42  -3.850  -0.219   0.239
  312    H    TYR  43           H        TYR  43  -2.309   2.798   0.329
  313    HA   TYR  43           HA       TYR  43  -1.657   0.993  -1.698
  314    HB2  TYR  43           2HB      TYR  43  -1.224   3.993  -1.504
  315    HB3  TYR  43           3HB      TYR  43  -0.863   3.078  -2.966
  316    HD1  TYR  43           HD1      TYR  43  -2.709   1.997  -4.263
  317    HD2  TYR  43           HD2      TYR  43  -3.562   4.508  -0.904
  318    HE1  TYR  43           HE1      TYR  43  -5.033   2.212  -5.009
  319    HE2  TYR  43           HE2      TYR  43  -5.892   4.711  -1.669
  320    HH   TYR  43           HH       TYR  43  -7.166   4.504  -3.722
  321    H    TYR  44           H        TYR  44   0.537   3.096   0.203
  322    HA   TYR  44           HA       TYR  44   2.959   2.331  -0.831
  323    HB2  TYR  44           2HB      TYR  44   2.568   4.151   0.841
  324    HB3  TYR  44           3HB      TYR  44   2.368   2.932   2.096
  325    HD1  TYR  44           HD2      TYR  44   4.851   4.201  -0.431
  326    HD2  TYR  44           HD1      TYR  44   4.299   2.147   3.282
  327    HE1  TYR  44           HE2      TYR  44   7.281   4.230  -0.042
  328    HE2  TYR  44           HE1      TYR  44   6.723   2.173   3.653
  329    HH   TYR  44           HH       TYR  44   8.810   4.139   1.948
  330    H    HIS  45           H        HIS  45   1.506   0.920   2.125
  331    HA   HIS  45           HA       HIS  45   3.459  -1.103   2.454
  332    HB2  HIS  45           2HB      HIS  45   0.683  -0.788   3.661
  333    HB3  HIS  45           3HB      HIS  45   1.771  -2.097   4.116
  334    HD1  HIS  45           HD1      HIS  45   3.265  -1.609   6.023
  335    HD2  HIS  45           HD2      HIS  45   1.969   1.861   4.143
  336    HE1  HIS  45           HE1      HIS  45   4.150   0.289   7.416
  337    HE2  HIS  45           HE2      HIS  45   3.259   2.366   6.317
  338    H    LEU  46           H        LEU  46   0.486  -1.119   0.653
  339    HA   LEU  46           HA       LEU  46   0.239  -3.938   0.246
  340    HB2  LEU  46           2HB      LEU  46  -1.680  -2.428   0.045
  341    HB3  LEU  46           3HB      LEU  46  -0.907  -1.565  -1.271
  342    HG   LEU  46           HG       LEU  46  -1.187  -3.472  -2.773
  343   HD11  LEU  46          1HD1      LEU  46  -0.841  -5.317  -1.169
  344   HD12  LEU  46          2HD1      LEU  46  -2.292  -5.548  -2.141
  345   HD13  LEU  46          3HD1      LEU  46  -2.431  -5.002  -0.469
  346   HD21  LEU  46          3HD2      LEU  46  -3.642  -3.582  -2.898
  347   HD22  LEU  46          1HD2      LEU  46  -3.086  -1.938  -2.587
  348   HD23  LEU  46          2HD2      LEU  46  -3.763  -2.904  -1.273
  349    H    GLY  47           H        GLY  47   1.683  -1.227  -1.547
  350    HA2  GLY  47           2HA      GLY  47   2.504  -2.713  -3.833
  351    HA3  GLY  47           3HA      GLY  47   3.070  -1.125  -3.352
  352    H    LYS  48           H        LYS  48   4.098  -1.782  -0.796
  353    HA   LYS  48           HA       LYS  48   6.703  -2.680  -1.354
  354    HB2  LYS  48           2HB      LYS  48   5.246  -2.639   1.332
  355    HB3  LYS  48           3HB      LYS  48   6.979  -2.870   1.138
  356    HG2  LYS  48           2HG      LYS  48   5.415  -0.356   0.485
  357    HG3  LYS  48           3HG      LYS  48   6.473  -0.605   1.869
  358    HD2  LYS  48           2HD      LYS  48   7.303  -0.431  -1.057
  359    HD3  LYS  48           3HD      LYS  48   7.575   0.780   0.194
  360    HE2  LYS  48           2HE      LYS  48   9.667  -0.239   0.062
  361    HE3  LYS  48           3HE      LYS  48   8.931  -1.156   1.370
  362    HZ1  LYS  48           3HZ      LYS  48   8.458  -2.932  -0.141
  363    HZ2  LYS  48           1HZ      LYS  48  10.089  -2.536  -0.279
  364    HZ3  LYS  48           2HZ      LYS  48   8.993  -2.033  -1.467
  365    H    LEU  49           H        LEU  49   3.857  -4.282  -0.069
  366    HA   LEU  49           HA       LEU  49   5.005  -6.815   0.462
  367    HB2  LEU  49           2HB      LEU  49   2.960  -6.037   1.528
  368    HB3  LEU  49           3HB      LEU  49   2.126  -5.997  -0.016
  369    HG   LEU  49           HG       LEU  49   2.105  -8.418  -0.165
  370   HD11  LEU  49          1HD1      LEU  49   4.333  -8.943   0.717
  371   HD12  LEU  49          2HD1      LEU  49   3.101  -9.892   1.542
  372   HD13  LEU  49          3HD1      LEU  49   3.818  -8.495   2.345
  373   HD21  LEU  49          3HD2      LEU  49   0.347  -7.398   1.227
  374   HD22  LEU  49          1HD2      LEU  49   1.365  -7.570   2.660
  375   HD23  LEU  49          2HD2      LEU  49   0.772  -9.004   1.815
  376    H    TYR  50           H        TYR  50   3.273  -5.489  -2.371
  377    HA   TYR  50           HA       TYR  50   3.273  -7.738  -4.010
  378    HB2  TYR  50           2HB      TYR  50   3.524  -4.796  -4.724
  379    HB3  TYR  50           3HB      TYR  50   3.477  -6.043  -5.962
  380    HD1  TYR  50           HD1      TYR  50   1.385  -7.894  -4.868
  381    HD2  TYR  50           HD2      TYR  50   1.480  -3.622  -5.032
  382    HE1  TYR  50           HE1      TYR  50  -1.079  -7.825  -4.891
  383    HE2  TYR  50           HE2      TYR  50  -0.962  -3.576  -5.041
  384    HH   TYR  50           HH       TYR  50  -2.831  -4.911  -5.517
  385    H    GLU  51           H        GLU  51   5.888  -5.313  -3.593
  386    HA   GLU  51           HA       GLU  51   7.706  -6.359  -5.474
  387    HB2  GLU  51           2HB      GLU  51   8.330  -4.870  -2.904
  388    HB3  GLU  51           3HB      GLU  51   9.467  -5.131  -4.229
  389    HG2  GLU  51           2HG      GLU  51   7.891  -3.831  -5.709
  390    HG3  GLU  51           3HG      GLU  51   6.946  -3.448  -4.270
  391    H    ARG  52           H        ARG  52   7.248  -7.152  -2.046
  392    HA   ARG  52           HA       ARG  52   9.345  -9.003  -1.676
  393    HB2  ARG  52           2HB      ARG  52   6.564  -8.893  -0.423
  394    HB3  ARG  52           3HB      ARG  52   7.866  -9.929   0.166
  395    HG2  ARG  52           2HG      ARG  52   9.172  -8.051   0.865
  396    HG3  ARG  52           3HG      ARG  52   8.148  -6.916  -0.015
  397    HD2  ARG  52           2HD      ARG  52   7.760  -6.816   2.417
  398    HD3  ARG  52           3HD      ARG  52   6.310  -7.307   1.547
  399    HE   ARG  52           HE       ARG  52   7.483  -9.668   2.286
  400   HH11  ARG  52          1HH1      ARG  52   6.495  -6.830   4.121
  401   HH12  ARG  52          2HH1      ARG  52   6.073  -7.747   5.532
  402   HH21  ARG  52          1HH2      ARG  52   6.885 -10.849   4.139
  403   HH22  ARG  52          2HH2      ARG  52   6.287 -10.018   5.542
  404    H    LEU  53           H        LEU  53   6.062  -9.385  -2.914
  405    HA   LEU  53           HA       LEU  53   6.188 -12.259  -3.262
  406    HB2  LEU  53           2HB      LEU  53   4.125 -10.212  -4.166
  407    HB3  LEU  53           3HB      LEU  53   3.902 -11.957  -4.195
  408    HG   LEU  53           HG       LEU  53   4.333 -10.355  -1.641
  409   HD11  LEU  53          1HD1      LEU  53   1.710 -11.316  -2.819
  410   HD12  LEU  53          2HD1      LEU  53   2.240  -9.640  -2.665
  411   HD13  LEU  53          3HD1      LEU  53   1.921 -10.594  -1.221
  412   HD21  LEU  53          3HD2      LEU  53   3.525 -12.366  -0.486
  413   HD22  LEU  53          1HD2      LEU  53   4.975 -12.716  -1.426
  414   HD23  LEU  53          2HD2      LEU  53   3.393 -13.217  -2.027
  415    H    ASP  54           H        ASP  54   7.925 -10.170  -4.956
  416    HA   ASP  54           HA       ASP  54   8.697  -9.813  -7.048
  417    HB2  ASP  54           2HB      ASP  54   7.694 -12.659  -7.490
  418    HB3  ASP  54           3HB      ASP  54   8.751 -11.805  -8.609
  419    H    ARG  55           H        ARG  55   5.937  -9.147  -6.451
  420    HA   ARG  55           HA       ARG  55   4.727  -8.910  -9.138
  421    HB2  ARG  55           2HB      ARG  55   3.439  -8.281  -6.431
  422    HB3  ARG  55           3HB      ARG  55   2.637  -8.286  -7.996
  423    HG2  ARG  55           2HG      ARG  55   3.605 -10.643  -6.375
  424    HG3  ARG  55           3HG      ARG  55   1.956 -10.255  -6.872
  425    HD2  ARG  55           2HD      ARG  55   4.225 -11.360  -8.546
  426    HD3  ARG  55           3HD      ARG  55   2.623 -12.047  -8.272
  427    HE   ARG  55           HE       ARG  55   2.044  -9.731  -9.533
  428   HH11  ARG  55          1HH1      ARG  55   4.157 -12.401 -10.373
  429   HH12  ARG  55          2HH1      ARG  55   4.151 -12.021 -12.064
  430   HH21  ARG  55          1HH2      ARG  55   2.106  -9.206 -11.712
  431   HH22  ARG  55          2HH2      ARG  55   2.972 -10.221 -12.827
  432    H    THR  56           H        THR  56   7.022  -7.467  -8.636
  433    HA   THR  56           HA       THR  56   6.794  -4.939  -7.430
  434    HB   THR  56           HB       THR  56   8.678  -5.743  -9.693
  435    HG1  THR  56           HG1      THR  56   9.251  -6.027  -6.933
  436   HG21  THR  56          3HG2      THR  56  10.270  -4.187  -8.614
  437   HG22  THR  56          1HG2      THR  56   9.054  -3.762  -7.408
  438   HG23  THR  56          2HG2      THR  56   8.806  -3.335  -9.102
  439    H    ASP  57           H        ASP  57   5.970  -6.061 -10.645
  440    HA   ASP  57           HA       ASP  57   5.528  -3.571 -11.942
  441    HB2  ASP  57           2HB      ASP  57   4.250  -4.881 -13.619
  442    HB3  ASP  57           3HB      ASP  57   5.778  -5.659 -13.235
  443    H    ASP  58           H        ASP  58   3.356  -5.787 -10.195
  444    HA   ASP  58           HA       ASP  58   0.967  -4.258 -10.373
  445    HB2  ASP  58           2HB      ASP  58   1.837  -6.279  -8.257
  446    HB3  ASP  58           3HB      ASP  58   0.216  -5.592  -8.338
  447    H    ALA  59           H        ALA  59   3.696  -4.152  -8.171
  448    HA   ALA  59           HA       ALA  59   2.740  -2.423  -6.179
  449    HB1  ALA  59           3HB      ALA  59   4.843  -3.686  -5.961
  450    HB2  ALA  59           1HB      ALA  59   5.100  -1.961  -5.675
  451    HB3  ALA  59           2HB      ALA  59   5.584  -2.686  -7.208
  452    H    ILE  60           H        ILE  60   4.307  -1.728  -9.318
  453    HA   ILE  60           HA       ILE  60   4.670   1.040  -9.116
  454    HB   ILE  60           HB       ILE  60   3.878  -0.385 -11.706
  455   HG12  ILE  60          2HG1      ILE  60   5.748  -1.658 -10.792
  456   HG13  ILE  60          3HG1      ILE  60   6.360  -0.681 -12.123
  457   HG21  ILE  60          1HG2      ILE  60   5.502   2.152 -11.269
  458   HG22  ILE  60          2HG2      ILE  60   3.855   2.056 -11.891
  459   HG23  ILE  60          3HG2      ILE  60   5.192   1.398 -12.832
  460   HD11  ILE  60          3HD1      ILE  60   6.690  -0.156  -9.178
  461   HD12  ILE  60          1HD1      ILE  60   7.202   0.959 -10.456
  462   HD13  ILE  60          2HD1      ILE  60   7.919  -0.646 -10.342
  463    H    ASP  61           H        ASP  61   1.908  -0.804 -10.302
  464    HA   ASP  61           HA       ASP  61   0.253   1.346 -11.103
  465    HB2  ASP  61           2HB      ASP  61  -0.004  -1.002 -11.901
  466    HB3  ASP  61           3HB      ASP  61  -0.515  -1.497 -10.291
  467    H    THR  62           H        THR  62   0.596  -0.406  -8.050
  468    HA   THR  62           HA       THR  62  -1.693   0.662  -6.733
  469    HB   THR  62           HB       THR  62   0.825  -0.543  -5.497
  470    HG1  THR  62           HG1      THR  62  -0.708  -1.686  -7.176
  471   HG21  THR  62          3HG2      THR  62  -0.636   0.572  -3.820
  472   HG22  THR  62          1HG2      THR  62  -0.647  -1.183  -3.623
  473   HG23  THR  62          2HG2      THR  62  -2.009  -0.370  -4.399
  474    H    TYR  63           H        TYR  63   1.752   1.508  -6.617
  475    HA   TYR  63           HA       TYR  63   1.605   3.691  -4.850
  476    HB2  TYR  63           2HB      TYR  63   3.580   3.210  -7.115
  477    HB3  TYR  63           3HB      TYR  63   3.789   4.405  -5.837
  478    HD1  TYR  63           HD2      TYR  63   3.011   2.862  -3.415
  479    HD2  TYR  63           HD1      TYR  63   5.345   1.665  -6.783
  480    HE1  TYR  63           HE2      TYR  63   4.191   1.220  -2.032
  481    HE2  TYR  63           HE1      TYR  63   6.520   0.030  -5.391
  482    HH   TYR  63           HH       TYR  63   7.010  -0.393  -3.111
  483    H    ALA  64           H        ALA  64   1.406   3.511  -8.401
  484    HA   ALA  64           HA       ALA  64   1.270   6.236  -9.032
  485    HB1  ALA  64           3HB      ALA  64   1.704   4.485 -10.703
  486    HB2  ALA  64           1HB      ALA  64   0.357   5.515 -11.199
  487    HB3  ALA  64           2HB      ALA  64   0.044   3.904 -10.542
  488    H    GLN  65           H        GLN  65  -1.309   3.930  -8.262
  489    HA   GLN  65           HA       GLN  65  -3.512   5.705  -8.658
  490    HB2  GLN  65           2HB      GLN  65  -3.240   2.952  -8.282
  491    HB3  GLN  65           3HB      GLN  65  -3.915   3.443  -6.737
  492    HG2  GLN  65           2HG      GLN  65  -5.243   4.400  -9.259
  493    HG3  GLN  65           3HG      GLN  65  -5.451   2.722  -8.786
  494   HE21  GLN  65          1HE2      GLN  65  -5.360   5.444  -6.468
  495   HE22  GLN  65          2HE2      GLN  65  -6.997   5.298  -5.993
  496    H    GLY  66           H        GLY  66  -1.548   4.714  -5.919
  497    HA2  GLY  66           2HA      GLY  66  -2.787   6.113  -3.845
  498    HA3  GLY  66           3HA      GLY  66  -1.089   5.657  -3.903
  499    H    ILE  67           H        ILE  67  -0.516   7.224  -6.309
  500    HA   ILE  67           HA       ILE  67   0.331   9.652  -5.161
  501    HB   ILE  67           HB       ILE  67   0.163   8.674  -8.037
  502   HG12  ILE  67          2HG1      ILE  67   2.579   9.205  -6.245
  503   HG13  ILE  67          3HG1      ILE  67   1.829   7.630  -6.457
  504   HG21  ILE  67          1HG2      ILE  67   1.544  10.577  -8.791
  505   HG22  ILE  67          2HG2      ILE  67   1.417  11.307  -7.194
  506   HG23  ILE  67          3HG2      ILE  67  -0.023  11.125  -8.192
  507   HD11  ILE  67          3HD1      ILE  67   2.421   7.673  -8.822
  508   HD12  ILE  67          1HD1      ILE  67   3.826   7.829  -7.771
  509   HD13  ILE  67          2HD1      ILE  67   3.189   9.249  -8.599
  510    H    GLU  68           H        GLU  68  -2.496   8.870  -7.126
  511    HA   GLU  68           HA       GLU  68  -3.497  11.448  -7.669
  512    HB2  GLU  68           2HB      GLU  68  -5.102   8.896  -7.192
  513    HB3  GLU  68           3HB      GLU  68  -5.654  10.320  -8.076
  514    HG2  GLU  68           2HG      GLU  68  -3.973   9.895  -9.827
  515    HG3  GLU  68           3HG      GLU  68  -3.365   8.509  -8.923
  516    H    VAL  69           H        VAL  69  -4.058   9.234  -4.977
  517    HA   VAL  69           HA       VAL  69  -5.757  11.134  -3.550
  518    HB   VAL  69           HB       VAL  69  -6.174   9.390  -1.912
  519   HG11  VAL  69          1HG1      VAL  69  -7.304   7.746  -3.374
  520   HG12  VAL  69          2HG1      VAL  69  -6.373   8.324  -4.755
  521   HG13  VAL  69          3HG1      VAL  69  -7.532   9.394  -3.962
  522   HG21  VAL  69          3HG2      VAL  69  -5.228   7.110  -2.118
  523   HG22  VAL  69          1HG2      VAL  69  -3.966   8.301  -1.801
  524   HG23  VAL  69          2HG2      VAL  69  -4.181   7.656  -3.429
  525    H    ALA  70           H        ALA  70  -2.391  10.366  -3.592
  526    HA   ALA  70           HA       ALA  70  -1.819  10.924  -0.828
  527    HB1  ALA  70           3HB      ALA  70  -0.357   9.470  -2.154
  528    HB2  ALA  70           1HB      ALA  70   0.534  10.827  -1.466
  529    HB3  ALA  70           2HB      ALA  70   0.084  10.837  -3.174
  530    H    ARG  71           H        ARG  71  -1.555  12.740  -3.856
  531    HA   ARG  71           HA       ARG  71  -0.528  15.149  -2.832
  532    HB2  ARG  71           2HB      ARG  71  -1.371  16.160  -4.959
  533    HB3  ARG  71           3HB      ARG  71  -0.506  14.649  -5.226
  534    HG2  ARG  71           2HG      ARG  71  -2.735  13.479  -5.332
  535    HG3  ARG  71           3HG      ARG  71  -3.510  15.059  -5.248
  536    HD2  ARG  71           2HD      ARG  71  -2.318  15.678  -7.378
  537    HD3  ARG  71           3HD      ARG  71  -1.727  14.011  -7.468
  538    HE   ARG  71           HE       ARG  71  -4.551  14.031  -7.148
  539   HH11  ARG  71          1HH1      ARG  71  -2.115  14.581  -9.646
  540   HH12  ARG  71          2HH1      ARG  71  -3.228  14.278 -10.945
  541   HH21  ARG  71          1HH2      ARG  71  -5.960  13.641  -8.856
  542   HH22  ARG  71          2HH2      ARG  71  -5.407  13.757 -10.501
  543    H    GLU  72           H        GLU  72  -3.901  13.995  -3.093
  544    HA   GLU  72           HA       GLU  72  -4.984  16.575  -2.212
  545    HB2  GLU  72           2HB      GLU  72  -6.314  14.042  -3.256
  546    HB3  GLU  72           3HB      GLU  72  -7.206  15.479  -2.752
  547    HG2  GLU  72           2HG      GLU  72  -6.105  16.823  -4.478
  548    HG3  GLU  72           3HG      GLU  72  -5.096  15.458  -4.940
  549    H    GLU  73           H        GLU  73  -5.254  13.173  -1.164
  550    HA   GLU  73           HA       GLU  73  -6.716  13.875   1.236
  551    HB2  GLU  73           2HB      GLU  73  -5.719  11.154   0.299
  552    HB3  GLU  73           3HB      GLU  73  -6.856  11.434   1.618
  553    HG2  GLU  73           2HG      GLU  73  -7.329  12.108  -1.305
  554    HG3  GLU  73           3HG      GLU  73  -7.979  10.707  -0.455
  555    H    GLY  74           H        GLY  74  -3.484  12.607   0.442
  556    HA2  GLY  74           2HA      GLY  74  -2.681  12.618   3.285
  557    HA3  GLY  74           3HA      GLY  74  -1.802  11.900   1.938
  558    H    THR  75           H        THR  75  -0.216  13.271   3.441
  559    HA   THR  75           HA       THR  75   0.032  16.064   2.664
  560    HB   THR  75           HB       THR  75   2.154  15.987   3.997
  561    HG1  THR  75           HG1      THR  75   1.478  13.237   4.223
  562   HG21  THR  75          3HG2      THR  75   0.024  16.469   5.183
  563   HG22  THR  75          1HG2      THR  75   1.164  15.592   6.208
  564   HG23  THR  75          2HG2      THR  75  -0.193  14.742   5.474
  565    H    GLN  76           H        GLN  76   2.218  16.826   1.803
  566    HA   GLN  76           HA       GLN  76   2.959  15.675  -0.652
  567    HB2  GLN  76           2HB      GLN  76   3.422  18.007  -0.263
  568    HB3  GLN  76           3HB      GLN  76   4.386  17.660   1.163
  569    HG2  GLN  76           2HG      GLN  76   5.788  18.341  -0.741
  570    HG3  GLN  76           3HG      GLN  76   6.158  16.700  -0.213
  571   HE21  GLN  76          1HE2      GLN  76   7.035  16.054  -2.165
  572   HE22  GLN  76          2HE2      GLN  76   6.107  15.858  -3.608
  573    H    LYS  77           H        LYS  77   4.160  15.134   2.627
  574    HA   LYS  77           HA       LYS  77   6.464  13.634   2.111
  575    HB2  LYS  77           2HB      LYS  77   5.887  14.359   4.371
  576    HB3  LYS  77           3HB      LYS  77   4.443  13.350   4.363
  577    HG2  LYS  77           2HG      LYS  77   5.859  11.315   4.273
  578    HG3  LYS  77           3HG      LYS  77   7.308  12.327   4.282
  579    HD2  LYS  77           2HD      LYS  77   6.732  13.158   6.521
  580    HD3  LYS  77           3HD      LYS  77   5.233  12.224   6.503
  581    HE2  LYS  77           2HE      LYS  77   6.535  10.126   6.432
  582    HE3  LYS  77           3HE      LYS  77   8.037  11.054   6.421
  583    HZ1  LYS  77           3HZ      LYS  77   7.480  11.921   8.584
  584    HZ2  LYS  77           1HZ      LYS  77   7.510  10.231   8.613
  585    HZ3  LYS  77           2HZ      LYS  77   6.029  11.051   8.602
  586    H    ASP  78           H        ASP  78   3.068  12.529   2.452
  587    HA   ASP  78           HA       ASP  78   3.481   9.759   2.037
  588    HB2  ASP  78           2HB      ASP  78   1.001  11.455   1.514
  589    HB3  ASP  78           3HB      ASP  78   1.011   9.698   1.421
  590    H    LEU  79           H        LEU  79   2.652  12.376  -0.196
  591    HA   LEU  79           HA       LEU  79   2.446  10.963  -2.586
  592    HB2  LEU  79           2HB      LEU  79   1.821  13.352  -2.274
  593    HB3  LEU  79           3HB      LEU  79   3.521  13.783  -2.157
  594    HG   LEU  79           HG       LEU  79   3.858  13.064  -4.525
  595   HD11  LEU  79          1HD1      LEU  79   0.864  12.567  -4.508
  596   HD12  LEU  79          2HD1      LEU  79   2.138  11.358  -4.719
  597   HD13  LEU  79          3HD1      LEU  79   1.888  12.594  -5.948
  598   HD21  LEU  79          3HD2      LEU  79   1.644  15.115  -4.142
  599   HD22  LEU  79          1HD2      LEU  79   2.626  14.927  -5.599
  600   HD23  LEU  79          2HD2      LEU  79   3.381  15.426  -4.090
  601    H    SER  80           H        SER  80   5.313  12.365  -1.018
  602    HA   SER  80           HA       SER  80   7.185  11.768  -3.052
  603    HB2  SER  80           2HB      SER  80   7.632  12.342  -0.100
  604    HB3  SER  80           3HB      SER  80   8.897  12.334  -1.337
  605    HG   SER  80           HG       SER  80   6.596  13.965  -1.557
  606    H    GLU  81           H        GLU  81   5.986   9.914  -0.285
  607    HA   GLU  81           HA       GLU  81   8.040   7.941  -0.242
  608    HB2  GLU  81           2HB      GLU  81   5.160   7.677   0.723
  609    HB3  GLU  81           3HB      GLU  81   6.482   6.584   1.127
  610    HG2  GLU  81           2HG      GLU  81   6.060   9.438   2.024
  611    HG3  GLU  81           3HG      GLU  81   6.137   7.983   3.012
  612    H    LEU  82           H        LEU  82   4.855   8.071  -1.781
  613    HA   LEU  82           HA       LEU  82   4.871   5.447  -2.886
  614    HB2  LEU  82           2HB      LEU  82   3.276   7.941  -3.540
  615    HB3  LEU  82           3HB      LEU  82   2.949   6.377  -4.278
  616    HG   LEU  82           HG       LEU  82   2.876   6.811  -1.259
  617   HD11  LEU  82          1HD1      LEU  82   0.427   6.895  -1.438
  618   HD12  LEU  82          2HD1      LEU  82   0.558   6.930  -3.197
  619   HD13  LEU  82          3HD1      LEU  82   1.199   8.262  -2.237
  620   HD21  LEU  82          3HD2      LEU  82   3.180   4.478  -1.963
  621   HD22  LEU  82          1HD2      LEU  82   1.747   4.585  -2.991
  622   HD23  LEU  82          2HD2      LEU  82   1.595   4.723  -1.237
  623    H    GLN  83           H        GLN  83   5.807   8.610  -4.162
  624    HA   GLN  83           HA       GLN  83   6.279   7.792  -6.863
  625    HB2  GLN  83           2HB      GLN  83   7.203  10.228  -5.284
  626    HB3  GLN  83           3HB      GLN  83   7.493  10.017  -7.012
  627    HG2  GLN  83           2HG      GLN  83   5.134  10.071  -7.493
  628    HG3  GLN  83           3HG      GLN  83   4.724  10.017  -5.782
  629   HE21  GLN  83          1HE2      GLN  83   6.690  11.970  -4.948
  630   HE22  GLN  83          2HE2      GLN  83   6.140  13.502  -5.509
  631    H    ASP  84           H        ASP  84   8.346   8.295  -4.016
  632    HA   ASP  84           HA       ASP  84  10.875   7.671  -5.050
  633    HB2  ASP  84           2HB      ASP  84  10.607   8.701  -2.864
  634    HB3  ASP  84           3HB      ASP  84   9.676   7.337  -2.268
  635    H    ALA  85           H        ALA  85   8.393   5.631  -3.601
  636    HA   ALA  85           HA       ALA  85   9.808   3.193  -3.569
  637    HB1  ALA  85           3HB      ALA  85   7.624   2.179  -3.072
  638    HB2  ALA  85           1HB      ALA  85   6.809   3.667  -3.554
  639    HB3  ALA  85           2HB      ALA  85   7.852   3.654  -2.132
  640    H    LYS  86           H        LYS  86   7.411   4.523  -5.907
  641    HA   LYS  86           HA       LYS  86   7.447   2.189  -7.543
  642    HB2  LYS  86           2HB      LYS  86   6.078   3.352  -9.135
  643    HB3  LYS  86           3HB      LYS  86   5.523   3.774  -7.524
  644    HG2  LYS  86           2HG      LYS  86   6.567   5.958  -7.666
  645    HG3  LYS  86           3HG      LYS  86   7.300   5.549  -9.219
  646    HD2  LYS  86           2HD      LYS  86   4.312   5.789  -8.680
  647    HD3  LYS  86           3HD      LYS  86   5.318   6.997  -9.480
  648    HE2  LYS  86           2HE      LYS  86   5.828   5.261 -11.255
  649    HE3  LYS  86           3HE      LYS  86   4.610   4.226 -10.509
  650    HZ1  LYS  86           3HZ      LYS  86   3.750   5.508 -12.377
  651    HZ2  LYS  86           1HZ      LYS  86   4.114   6.949 -11.573
  652    HZ3  LYS  86           2HZ      LYS  86   2.953   5.900 -10.942
  653    H    LEU  87           H        LEU  87   9.351   5.209  -7.640
  654    HA   LEU  87           HA       LEU  87  10.217   4.830 -10.333
  655    HB2  LEU  87           2HB      LEU  87  11.640   6.718 -10.093
  656    HB3  LEU  87           3HB      LEU  87  10.170   7.054  -9.208
  657    HG   LEU  87           HG       LEU  87  11.630   6.306  -7.092
  658   HD11  LEU  87          1HD1      LEU  87  14.002   6.965  -7.268
  659   HD12  LEU  87          2HD1      LEU  87  13.818   7.195  -9.008
  660   HD13  LEU  87          3HD1      LEU  87  13.642   5.587  -8.304
  661   HD21  LEU  87          3HD2      LEU  87  10.656   8.527  -7.349
  662   HD22  LEU  87          1HD2      LEU  87  11.960   9.004  -8.439
  663   HD23  LEU  87          2HD2      LEU  87  12.304   8.658  -6.741
  664    H    LYS  88           H        LYS  88  11.651   3.977  -7.176
  665    HA   LYS  88           HA       LYS  88  14.056   2.885  -8.297
  666    HB2  LYS  88           2HB      LYS  88  14.597   2.112  -6.106
  667    HB3  LYS  88           3HB      LYS  88  13.815   3.666  -5.926
  668    HG2  LYS  88           2HG      LYS  88  12.828   2.552  -4.196
  669    HG3  LYS  88           3HG      LYS  88  11.657   2.180  -5.460
  670    HD2  LYS  88           2HD      LYS  88  12.708  -0.035  -5.788
  671    HD3  LYS  88           3HD      LYS  88  13.931   0.348  -4.573
  672    HE2  LYS  88           2HE      LYS  88  12.133  -1.095  -3.666
  673    HE3  LYS  88           3HE      LYS  88  12.219   0.455  -2.835
  674    HZ1  LYS  88           3HZ      LYS  88  10.366   1.226  -4.211
  675    HZ2  LYS  88           1HZ      LYS  88   9.955  -0.121  -3.282
  676    HZ3  LYS  88           2HZ      LYS  88  10.265  -0.302  -4.930
  677    H    ALA  89           H        ALA  89  10.876   1.574  -7.510
  678    HA   ALA  89           HA       ALA  89  11.413  -1.159  -8.066
  679    HB1  ALA  89           3HB      ALA  89   8.958  -1.386  -8.024
  680    HB2  ALA  89           1HB      ALA  89   8.797   0.376  -8.020
  681    HB3  ALA  89           2HB      ALA  89   9.549  -0.449  -6.651
  682    H    GLU  90           H        GLU  90  10.404   1.565 -10.081
  683    HA   GLU  90           HA       GLU  90   9.993   0.078 -12.493
  684    HB2  GLU  90           2HB      GLU  90  10.489   3.037 -12.010
  685    HB3  GLU  90           3HB      GLU  90  10.257   2.366 -13.627
  686    HG2  GLU  90           2HG      GLU  90   8.034   1.577 -12.995
  687    HG3  GLU  90           3HG      GLU  90   8.247   2.189 -11.363
  688    H    GLY  91           H        GLY  91  12.759   1.461 -10.881
  689    HA2  GLY  91           2HA      GLY  91  14.724   1.077 -12.900
  690    HA3  GLY  91           3HA      GLY  91  15.007   1.072 -11.163
  691    H    LEU  92           H        LEU  92  13.380  -1.044 -10.391
  692    HA   LEU  92           HA       LEU  92  14.803  -3.423 -11.058
  693    HB2  LEU  92           2HB      LEU  92  12.047  -3.132  -9.789
  694    HB3  LEU  92           3HB      LEU  92  13.027  -4.592  -9.778
  695    HG   LEU  92           HG       LEU  92  13.784  -1.986  -8.390
  696   HD11  LEU  92          1HD1      LEU  92  13.241  -3.119  -6.281
  697   HD12  LEU  92          2HD1      LEU  92  12.705  -4.547  -7.169
  698   HD13  LEU  92          3HD1      LEU  92  11.822  -3.027  -7.327
  699   HD21  LEU  92          3HD2      LEU  92  15.104  -4.727  -8.254
  700   HD22  LEU  92          1HD2      LEU  92  15.552  -3.312  -7.292
  701   HD23  LEU  92          2HD2      LEU  92  15.769  -3.293  -9.039
  702    H    GLU  93           H        GLU  93  11.763  -1.976 -12.179
  703    HA   GLU  93           HA       GLU  93  11.111  -4.274 -13.866
  704    HB2  GLU  93           2HB      GLU  93   9.549  -1.752 -13.214
  705    HB3  GLU  93           3HB      GLU  93   8.968  -3.013 -14.303
  706    HG2  GLU  93           2HG      GLU  93   9.555  -3.307 -11.336
  707    HG3  GLU  93           3HG      GLU  93   7.966  -3.277 -12.097
  708    H    HIS  94           H        HIS  94  13.152  -1.808 -14.322
  709    HA   HIS  94           HA       HIS  94  12.469  -1.191 -17.105
  710    HB2  HIS  94           2HB      HIS  94  13.522   0.520 -15.534
  711    HB3  HIS  94           3HB      HIS  94  14.994  -0.435 -15.557
  712    HD1  HIS  94           HD1      HIS  94  16.668   0.586 -17.072
  713    HD2  HIS  94           HD2      HIS  94  12.798   1.183 -18.481
  714    HE1  HIS  94           HE1      HIS  94  16.913   1.965 -19.157
  715    HE2  HIS  94           HE2      HIS  94  14.580   2.224 -20.051
  716    H    HIS  95           H        HIS  95  12.427  -3.553 -17.493
  717    HA   HIS  95           HA       HIS  95  15.022  -4.927 -17.713
  718    HB2  HIS  95           2HB      HIS  95  12.251  -5.982 -18.447
  719    HB3  HIS  95           3HB      HIS  95  13.724  -6.928 -18.299
  720    HD1  HIS  95           HD1      HIS  95  14.535  -7.482 -15.845
  721    HD2  HIS  95           HD2      HIS  95  10.901  -5.482 -16.062
  722    HE1  HIS  95           HE1      HIS  95  13.465  -7.776 -13.589
  723    HE2  HIS  95           HE2      HIS  95  11.322  -6.461 -13.708
  724    H    HIS  96           H        HIS  96  15.435  -6.117 -19.804
  725    HA   HIS  96           HA       HIS  96  15.249  -4.359 -22.093
  726    HB2  HIS  96           2HB      HIS  96  17.302  -5.670 -21.673
  727    HB3  HIS  96           3HB      HIS  96  16.393  -7.173 -21.800
  728    HD1  HIS  96           HD1      HIS  96  16.525  -8.255 -24.029
  729    HD2  HIS  96           HD2      HIS  96  17.180  -4.157 -24.301
  730    HE1  HIS  96           HE1      HIS  96  17.151  -7.827 -26.416
  731    HE2  HIS  96           HE2      HIS  96  17.639  -5.369 -26.543
  732    H    HIS  97           H        HIS  97  13.641  -4.422 -23.637
  733    HA   HIS  97           HA       HIS  97  11.448  -6.255 -23.461
  734    HB2  HIS  97           2HB      HIS  97  12.166  -4.144 -25.537
  735    HB3  HIS  97           3HB      HIS  97  10.704  -5.123 -25.637
  736    HD1  HIS  97           HD1      HIS  97  11.876  -1.974 -24.316
  737    HD2  HIS  97           HD2      HIS  97   9.026  -4.779 -23.180
  738    HE1  HIS  97           HE1      HIS  97  10.324  -0.773 -22.740
  739    HE2  HIS  97           HE2      HIS  97   8.640  -2.503 -22.034
  740    H    HIS  98           H        HIS  98  10.651  -7.381 -25.511
  741    HA   HIS  98           HA       HIS  98  10.740  -9.352 -26.589
  742    HB2  HIS  98           2HB      HIS  98  13.717  -8.789 -27.002
  743    HB3  HIS  98           3HB      HIS  98  12.879 -10.173 -27.688
  744    HD1  HIS  98           HD1      HIS  98  12.741  -9.749 -30.092
  745    HD2  HIS  98           HD2      HIS  98  11.968  -6.305 -27.907
  746    HE1  HIS  98           HE1      HIS  98  12.211  -7.984 -31.789
  747    HE2  HIS  98           HE2      HIS  98  11.521  -5.980 -30.435
  748    H    HIS  99           H        HIS  99  13.965  -9.367 -25.089
  749    HA   HIS  99           HA       HIS  99  13.300 -10.457 -22.617
  750    HB2  HIS  99           2HB      HIS  99  12.828 -12.556 -23.967
  751    HB3  HIS  99           3HB      HIS  99  14.516 -12.574 -24.471
  752    HD1  HIS  99           HD1      HIS  99  15.970 -14.012 -23.036
  753    HD2  HIS  99           HD2      HIS  99  12.646 -12.651 -20.957
  754    HE1  HIS  99           HE1      HIS  99  16.100 -15.091 -20.774
  755    HE2  HIS  99           HE2      HIS  99  14.186 -14.100 -19.479
  Start of MODEL    6
    1    H1   GLU   1           1H       GLU   1  -9.660   3.176  16.522
    2    H2   GLU   1           2H       GLU   1 -10.977   2.458  15.751
    3    H3   GLU   1           3H       GLU   1  -9.463   1.716  15.695
    4    HA   GLU   1           HA       GLU   1  -9.498   1.316  18.032
    5    HB2  GLU   1           2HB      GLU   1 -10.825   3.304  18.678
    6    HB3  GLU   1           3HB      GLU   1 -12.253   2.613  17.910
    7    HG2  GLU   1           2HG      GLU   1 -12.276   0.784  19.555
    8    HG3  GLU   1           3HG      GLU   1 -10.811   1.413  20.302
    9    H    ASP   2           H        ASP   2 -12.706   1.183  16.491
   10    HA   ASP   2           HA       ASP   2 -13.302  -1.521  17.031
   11    HB2  ASP   2           2HB      ASP   2 -14.967   0.251  16.395
   12    HB3  ASP   2           3HB      ASP   2 -14.321   0.261  14.765
   13    HA   PRO   3           HA       PRO   3 -10.539  -3.688  14.217
   14    HB2  PRO   3           2HB      PRO   3 -12.130  -5.887  13.508
   15    HB3  PRO   3           3HB      PRO   3 -11.194  -5.753  15.001
   16    HG2  PRO   3           2HG      PRO   3 -14.112  -5.129  14.536
   17    HG3  PRO   3           3HG      PRO   3 -13.364  -6.036  15.871
   18    HD2  PRO   3           2HD      PRO   3 -14.087  -3.503  16.239
   19    HD3  PRO   3           3HD      PRO   3 -12.536  -4.072  16.901
   20    H    GLU   4           H        GLU   4 -13.808  -2.935  13.071
   21    HA   GLU   4           HA       GLU   4 -13.196  -3.386  10.278
   22    HB2  GLU   4           2HB      GLU   4 -15.647  -2.104  11.530
   23    HB3  GLU   4           3HB      GLU   4 -15.485  -2.562   9.835
   24    HG2  GLU   4           2HG      GLU   4 -15.154  -4.958  10.614
   25    HG3  GLU   4           3HG      GLU   4 -15.564  -4.414  12.240
   26    H    ASP   5           H        ASP   5 -12.611  -0.798  12.406
   27    HA   ASP   5           HA       ASP   5 -12.730   1.424  10.632
   28    HB2  ASP   5           2HB      ASP   5 -10.934   0.965  13.053
   29    HB3  ASP   5           3HB      ASP   5 -11.056   2.498  12.196
   30    HA   PRO   6           HA       PRO   6  -9.595   0.584   7.587
   31    HB2  PRO   6           2HB      PRO   6  -8.860   3.494   8.009
   32    HB3  PRO   6           3HB      PRO   6  -9.085   2.606   6.491
   33    HG2  PRO   6           2HG      PRO   6 -11.023   4.178   7.387
   34    HG3  PRO   6           3HG      PRO   6 -11.427   2.586   6.705
   35    HD2  PRO   6           2HD      PRO   6 -11.348   3.455   9.587
   36    HD3  PRO   6           3HD      PRO   6 -12.460   2.329   8.777
   37    H    PHE   7           H        PHE   7  -8.355   2.700  10.212
   38    HA   PHE   7           HA       PHE   7  -5.620   2.064   9.832
   39    HB2  PHE   7           2HB      PHE   7  -6.247   4.144  10.918
   40    HB3  PHE   7           3HB      PHE   7  -7.056   3.281  12.220
   41    HD1  PHE   7           HD2      PHE   7  -3.668   3.831  10.692
   42    HD2  PHE   7           HD1      PHE   7  -5.851   2.729  14.203
   43    HE1  PHE   7           HE2      PHE   7  -1.589   3.863  12.010
   44    HE2  PHE   7           HE1      PHE   7  -3.765   2.755  15.504
   45    HZ   PHE   7           HZ       PHE   7  -1.633   3.324  14.412
   46    H    THR   8           H        THR   8  -8.108   0.591  11.899
   47    HA   THR   8           HA       THR   8  -6.362  -0.795  13.649
   48    HB   THR   8           HB       THR   8  -9.216  -1.655  12.983
   49    HG1  THR   8           HG1      THR   8  -9.887   0.099  13.959
   50   HG21  THR   8          3HG2      THR   8  -7.941  -3.207  14.470
   51   HG22  THR   8          1HG2      THR   8  -9.249  -2.403  15.346
   52   HG23  THR   8          2HG2      THR   8  -7.584  -1.860  15.555
   53    H    ARG   9           H        ARG   9  -8.171  -1.904  10.765
   54    HA   ARG   9           HA       ARG   9  -7.036  -4.559  10.780
   55    HB2  ARG   9           2HB      ARG   9  -8.295  -4.863   8.652
   56    HB3  ARG   9           3HB      ARG   9  -9.287  -4.297   9.987
   57    HG2  ARG   9           2HG      ARG   9  -8.747  -1.904   8.876
   58    HG3  ARG   9           3HG      ARG   9  -8.528  -2.910   7.442
   59    HD2  ARG   9           2HD      ARG   9 -11.032  -2.739   9.162
   60    HD3  ARG   9           3HD      ARG   9 -10.812  -2.057   7.551
   61    HE   ARG   9           HE       ARG   9 -10.784  -4.273   6.640
   62   HH11  ARG   9          1HH1      ARG   9 -11.597  -4.292  10.044
   63   HH12  ARG   9          2HH1      ARG   9 -12.596  -5.700   9.923
   64   HH21  ARG   9          1HH2      ARG   9 -12.099  -6.145   6.518
   65   HH22  ARG   9          2HH2      ARG   9 -12.871  -6.746   7.954
   66    H    TYR  10           H        TYR  10  -6.278  -1.537   9.222
   67    HA   TYR  10           HA       TYR  10  -4.269  -2.291   7.406
   68    HB2  TYR  10           2HB      TYR  10  -5.086  -0.018   7.505
   69    HB3  TYR  10           3HB      TYR  10  -4.625   0.145   9.188
   70    HD1  TYR  10           HD1      TYR  10  -3.099  -0.403   5.790
   71    HD2  TYR  10           HD2      TYR  10  -2.615   1.253   9.702
   72    HE1  TYR  10           HE1      TYR  10  -0.989   0.648   5.097
   73    HE2  TYR  10           HE2      TYR  10  -0.514   2.298   8.998
   74    HH   TYR  10           HH       TYR  10   0.405   2.575   5.777
   75    H    ALA  11           H        ALA  11  -4.074  -1.479  10.858
   76    HA   ALA  11           HA       ALA  11  -1.336  -1.977  11.295
   77    HB1  ALA  11           3HB      ALA  11  -2.733  -0.677  12.865
   78    HB2  ALA  11           1HB      ALA  11  -1.934  -2.014  13.694
   79    HB3  ALA  11           2HB      ALA  11  -3.645  -2.131  13.274
   80    H    LEU  12           H        LEU  12  -4.188  -4.038  11.401
   81    HA   LEU  12           HA       LEU  12  -3.088  -6.377  12.568
   82    HB2  LEU  12           2HB      LEU  12  -5.530  -5.902  12.381
   83    HB3  LEU  12           3HB      LEU  12  -5.426  -6.067  10.639
   84    HG   LEU  12           HG       LEU  12  -4.831  -8.483  10.920
   85   HD11  LEU  12          1HD1      LEU  12  -5.109  -9.582  13.085
   86   HD12  LEU  12          2HD1      LEU  12  -5.356  -8.023  13.872
   87   HD13  LEU  12          3HD1      LEU  12  -3.799  -8.407  13.130
   88   HD21  LEU  12          3HD2      LEU  12  -7.445  -7.685  12.254
   89   HD22  LEU  12          1HD2      LEU  12  -7.072  -9.267  11.558
   90   HD23  LEU  12          2HD2      LEU  12  -7.166  -7.848  10.518
   91    H    ALA  13           H        ALA  13  -3.361  -5.226   9.229
   92    HA   ALA  13           HA       ALA  13  -2.439  -7.532   7.862
   93    HB1  ALA  13           3HB      ALA  13  -2.320  -4.617   7.008
   94    HB2  ALA  13           1HB      ALA  13  -3.676  -5.716   6.745
   95    HB3  ALA  13           2HB      ALA  13  -2.133  -6.013   5.944
   96    H    GLN  14           H        GLN  14  -0.780  -4.602   9.003
   97    HA   GLN  14           HA       GLN  14   1.821  -5.132   8.162
   98    HB2  GLN  14           2HB      GLN  14   0.897  -3.638  10.652
   99    HB3  GLN  14           3HB      GLN  14   2.513  -3.545   9.953
  100    HG2  GLN  14           2HG      GLN  14   1.525  -2.622   7.868
  101    HG3  GLN  14           3HG      GLN  14  -0.059  -2.646   8.635
  102   HE21  GLN  14          1HE2      GLN  14   1.540  -0.420   7.573
  103   HE22  GLN  14          2HE2      GLN  14   1.669   0.716   8.863
  104    H    GLU  15           H        GLU  15   0.126  -6.227  11.073
  105    HA   GLU  15           HA       GLU  15   2.337  -7.525  12.323
  106    HB2  GLU  15           2HB      GLU  15  -0.640  -8.106  12.620
  107    HB3  GLU  15           3HB      GLU  15   0.628  -8.648  13.723
  108    HG2  GLU  15           2HG      GLU  15   1.149  -6.278  14.241
  109    HG3  GLU  15           3HG      GLU  15  -0.158  -5.770  13.183
  110    H    HIS  16           H        HIS  16  -0.136  -8.627  10.012
  111    HA   HIS  16           HA       HIS  16   0.475 -11.380   9.985
  112    HB2  HIS  16           2HB      HIS  16  -0.624  -9.663   7.726
  113    HB3  HIS  16           3HB      HIS  16  -0.585 -11.423   7.712
  114    HD1  HIS  16           HD1      HIS  16  -1.617 -11.789  10.683
  115    HD2  HIS  16           HD2      HIS  16  -3.351  -9.396   7.771
  116    HE1  HIS  16           HE1      HIS  16  -4.027 -11.590  11.322
  117    HE2  HIS  16           HE2      HIS  16  -5.031 -10.058   9.605
  118    H    LEU  17           H        LEU  17   2.064  -8.662   8.392
  119    HA   LEU  17           HA       LEU  17   3.565  -9.987   6.433
  120    HB2  LEU  17           2HB      LEU  17   4.296  -7.521   8.063
  121    HB3  LEU  17           3HB      LEU  17   5.130  -8.028   6.599
  122    HG   LEU  17           HG       LEU  17   2.223  -7.125   6.767
  123   HD11  LEU  17          1HD1      LEU  17   3.777  -5.257   7.021
  124   HD12  LEU  17          2HD1      LEU  17   2.949  -5.178   5.468
  125   HD13  LEU  17          3HD1      LEU  17   4.624  -5.732   5.549
  126   HD21  LEU  17          3HD2      LEU  17   2.217  -7.255   4.321
  127   HD22  LEU  17          1HD2      LEU  17   2.499  -8.837   5.045
  128   HD23  LEU  17          2HD2      LEU  17   3.845  -7.939   4.337
  129    H    LYS  18           H        LYS  18   4.517  -9.211   9.812
  130    HA   LYS  18           HA       LYS  18   7.037 -10.601   9.638
  131    HB2  LYS  18           2HB      LYS  18   7.265 -10.131  12.046
  132    HB3  LYS  18           3HB      LYS  18   6.783  -8.688  11.165
  133    HG2  LYS  18           2HG      LYS  18   4.446  -9.012  11.922
  134    HG3  LYS  18           3HG      LYS  18   4.945 -10.429  12.849
  135    HD2  LYS  18           2HD      LYS  18   5.923  -7.575  13.295
  136    HD3  LYS  18           3HD      LYS  18   4.706  -8.403  14.267
  137    HE2  LYS  18           2HE      LYS  18   6.397 -10.058  14.977
  138    HE3  LYS  18           3HE      LYS  18   7.617  -9.240  13.998
  139    HZ1  LYS  18           3HZ      LYS  18   7.409  -7.301  15.365
  140    HZ2  LYS  18           1HZ      LYS  18   7.712  -8.634  16.352
  141    HZ3  LYS  18           2HZ      LYS  18   6.151  -7.990  16.260
  142    H    HIS  19           H        HIS  19   3.781 -11.476  10.522
  143    HA   HIS  19           HA       HIS  19   4.492 -14.045  11.677
  144    HB2  HIS  19           2HB      HIS  19   1.873 -12.621  11.123
  145    HB3  HIS  19           3HB      HIS  19   1.878 -14.330  11.533
  146    HD1  HIS  19           HD1      HIS  19   2.322 -14.976  13.958
  147    HD2  HIS  19           HD2      HIS  19   2.630 -10.889  13.280
  148    HE1  HIS  19           HE1      HIS  19   2.405 -13.917  16.229
  149    HE2  HIS  19           HE2      HIS  19   2.487 -11.439  15.791
  150    H    ASP  20           H        ASP  20   4.610 -13.033   8.586
  151    HA   ASP  20           HA       ASP  20   5.024 -14.095   6.641
  152    HB2  ASP  20           2HB      ASP  20   6.140 -15.827   8.069
  153    HB3  ASP  20           3HB      ASP  20   4.617 -16.697   8.180
  154    H    ASN  21           H        ASN  21   2.097 -13.900   7.982
  155    HA   ASN  21           HA       ASN  21   0.520 -15.322   5.965
  156    HB2  ASN  21           2HB      ASN  21  -0.276 -13.544   8.325
  157    HB3  ASN  21           3HB      ASN  21  -1.436 -14.283   7.226
  158   HD21  ASN  21          1HD2      ASN  21  -1.780 -16.533   7.320
  159   HD22  ASN  21          2HD2      ASN  21  -1.264 -17.475   8.673
  160    H    ALA  22           H        ALA  22   2.134 -13.767   4.630
  161    HA   ALA  22           HA       ALA  22   1.580 -11.086   4.134
  162    HB1  ALA  22           3HB      ALA  22   2.796 -11.437   2.019
  163    HB2  ALA  22           1HB      ALA  22   2.640 -13.182   2.210
  164    HB3  ALA  22           2HB      ALA  22   3.608 -12.253   3.353
  165    H    SER  23           H        SER  23   0.151 -13.999   2.726
  166    HA   SER  23           HA       SER  23  -1.490 -12.980   0.741
  167    HB2  SER  23           2HB      SER  23  -2.125 -15.303   2.608
  168    HB3  SER  23           3HB      SER  23  -2.805 -15.039   1.003
  169    HG   SER  23           HG       SER  23  -0.482 -15.092   0.326
  170    H    ARG  24           H        ARG  24  -2.232 -13.323   4.243
  171    HA   ARG  24           HA       ARG  24  -4.919 -12.333   4.053
  172    HB2  ARG  24           2HB      ARG  24  -3.079 -12.824   6.440
  173    HB3  ARG  24           3HB      ARG  24  -4.771 -12.349   6.587
  174    HG2  ARG  24           2HG      ARG  24  -3.807 -14.895   5.230
  175    HG3  ARG  24           3HG      ARG  24  -4.404 -14.794   6.891
  176    HD2  ARG  24           2HD      ARG  24  -6.590 -14.038   6.083
  177    HD3  ARG  24           3HD      ARG  24  -6.002 -14.053   4.422
  178    HE   ARG  24           HE       ARG  24  -5.620 -16.614   5.486
  179   HH11  ARG  24          1HH1      ARG  24  -8.313 -14.563   4.558
  180   HH12  ARG  24          2HH1      ARG  24  -9.369 -15.897   4.236
  181   HH21  ARG  24          1HH2      ARG  24  -7.021 -18.355   5.020
  182   HH22  ARG  24          2HH2      ARG  24  -8.652 -18.032   4.528
  183    H    ALA  25           H        ALA  25  -1.769 -10.985   4.871
  184    HA   ALA  25           HA       ALA  25  -2.525  -8.391   5.709
  185    HB1  ALA  25           3HB      ALA  25  -0.001  -9.266   4.249
  186    HB2  ALA  25           1HB      ALA  25  -0.241  -9.302   5.997
  187    HB3  ALA  25           2HB      ALA  25  -0.208  -7.758   5.145
  188    H    LEU  26           H        LEU  26  -1.924  -9.850   2.590
  189    HA   LEU  26           HA       LEU  26  -1.890  -7.560   0.928
  190    HB2  LEU  26           2HB      LEU  26  -1.016  -9.882   0.350
  191    HB3  LEU  26           3HB      LEU  26  -2.680 -10.409   0.185
  192    HG   LEU  26           HG       LEU  26  -2.937  -8.670  -1.669
  193   HD11  LEU  26          1HD1      LEU  26  -0.919  -7.819  -2.741
  194   HD12  LEU  26          2HD1      LEU  26   0.084  -8.535  -1.480
  195   HD13  LEU  26          3HD1      LEU  26  -1.041  -7.234  -1.084
  196   HD21  LEU  26          3HD2      LEU  26  -2.672 -11.065  -2.165
  197   HD22  LEU  26          1HD2      LEU  26  -0.916 -10.890  -2.133
  198   HD23  LEU  26          2HD2      LEU  26  -1.864 -10.072  -3.375
  199    H    ALA  27           H        ALA  27  -4.353  -9.962   1.693
  200    HA   ALA  27           HA       ALA  27  -6.532  -8.990   0.272
  201    HB1  ALA  27           3HB      ALA  27  -7.892 -10.398   1.758
  202    HB2  ALA  27           1HB      ALA  27  -6.541 -10.535   2.884
  203    HB3  ALA  27           2HB      ALA  27  -6.421 -11.237   1.271
  204    H    LEU  28           H        LEU  28  -5.603  -8.272   3.673
  205    HA   LEU  28           HA       LEU  28  -7.759  -6.577   4.311
  206    HB2  LEU  28           2HB      LEU  28  -4.947  -6.775   5.428
  207    HB3  LEU  28           3HB      LEU  28  -6.110  -5.622   6.070
  208    HG   LEU  28           HG       LEU  28  -6.448  -8.652   6.085
  209   HD11  LEU  28          1HD1      LEU  28  -6.134  -8.472   8.513
  210   HD12  LEU  28          2HD1      LEU  28  -5.832  -6.740   8.361
  211   HD13  LEU  28          3HD1      LEU  28  -4.714  -7.901   7.643
  212   HD21  LEU  28          3HD2      LEU  28  -8.621  -7.526   5.897
  213   HD22  LEU  28          1HD2      LEU  28  -8.229  -6.488   7.272
  214   HD23  LEU  28          2HD2      LEU  28  -8.429  -8.226   7.500
  215    H    PHE  29           H        PHE  29  -4.531  -5.793   2.977
  216    HA   PHE  29           HA       PHE  29  -4.857  -2.982   2.932
  217    HB2  PHE  29           2HB      PHE  29  -3.083  -4.820   1.292
  218    HB3  PHE  29           3HB      PHE  29  -3.027  -3.073   1.141
  219    HD1  PHE  29           HD1      PHE  29  -3.085  -2.168   3.975
  220    HD2  PHE  29           HD2      PHE  29  -0.999  -5.448   2.178
  221    HE1  PHE  29           HE1      PHE  29  -1.341  -2.022   5.704
  222    HE2  PHE  29           HE2      PHE  29   0.733  -5.297   3.925
  223    HZ   PHE  29           HZ       PHE  29   0.563  -3.580   5.688
  224    H    GLU  30           H        GLU  30  -5.402  -5.456   0.400
  225    HA   GLU  30           HA       GLU  30  -6.226  -3.791  -1.703
  226    HB2  GLU  30           2HB      GLU  30  -6.954  -6.674  -1.071
  227    HB3  GLU  30           3HB      GLU  30  -7.380  -5.880  -2.583
  228    HG2  GLU  30           2HG      GLU  30  -4.973  -5.562  -3.081
  229    HG3  GLU  30           3HG      GLU  30  -4.561  -6.388  -1.576
  230    H    GLU  31           H        GLU  31  -8.004  -5.254   0.962
  231    HA   GLU  31           HA       GLU  31 -10.643  -4.671   0.179
  232    HB2  GLU  31           2HB      GLU  31 -10.200  -6.293   1.924
  233    HB3  GLU  31           3HB      GLU  31  -9.314  -5.109   2.874
  234    HG2  GLU  31           2HG      GLU  31 -11.420  -3.884   3.316
  235    HG3  GLU  31           3HG      GLU  31 -12.304  -5.088   2.368
  236    H    LEU  32           H        LEU  32  -8.289  -2.918   2.199
  237    HA   LEU  32           HA       LEU  32  -9.865  -0.729   2.950
  238    HB2  LEU  32           2HB      LEU  32  -6.866  -1.007   2.601
  239    HB3  LEU  32           3HB      LEU  32  -7.604   0.455   3.250
  240    HG   LEU  32           HG       LEU  32  -7.819  -2.318   4.497
  241   HD11  LEU  32          1HD1      LEU  32  -5.551  -1.429   4.705
  242   HD12  LEU  32          2HD1      LEU  32  -6.364  -1.450   6.268
  243   HD13  LEU  32          3HD1      LEU  32  -6.184   0.071   5.391
  244   HD21  LEU  32          3HD2      LEU  32  -9.824  -1.018   4.945
  245   HD22  LEU  32          1HD2      LEU  32  -8.853   0.369   5.466
  246   HD23  LEU  32          2HD2      LEU  32  -8.845  -1.123   6.402
  247    H    VAL  33           H        VAL  33  -7.808  -1.193   0.075
  248    HA   VAL  33           HA       VAL  33  -8.079   1.397  -1.011
  249    HB   VAL  33           HB       VAL  33  -7.514  -1.261  -2.415
  250   HG11  VAL  33          1HG1      VAL  33  -7.142   1.559  -3.508
  251   HG12  VAL  33          2HG1      VAL  33  -8.320   0.372  -4.069
  252   HG13  VAL  33          3HG1      VAL  33  -6.598   0.072  -4.295
  253   HG21  VAL  33          3HG2      VAL  33  -5.136  -0.548  -2.343
  254   HG22  VAL  33          1HG2      VAL  33  -5.823  -0.678  -0.723
  255   HG23  VAL  33          2HG2      VAL  33  -5.599   0.909  -1.459
  256    H    GLU  34           H        GLU  34  -9.840  -1.626  -1.816
  257    HA   GLU  34           HA       GLU  34 -11.505  -0.449  -3.772
  258    HB2  GLU  34           2HB      GLU  34 -12.695  -2.583  -3.829
  259    HB3  GLU  34           3HB      GLU  34 -10.953  -2.836  -3.776
  260    HG2  GLU  34           2HG      GLU  34 -11.139  -3.297  -1.328
  261    HG3  GLU  34           3HG      GLU  34 -12.889  -3.147  -1.462
  262    H    THR  35           H        THR  35 -11.958  -0.749  -0.273
  263    HA   THR  35           HA       THR  35 -14.793  -0.009  -0.435
  264    HB   THR  35           HB       THR  35 -14.773  -0.211   2.053
  265    HG1  THR  35           HG1      THR  35 -12.314  -1.411   2.248
  266   HG21  THR  35          3HG2      THR  35 -15.244  -2.234   0.702
  267   HG22  THR  35          1HG2      THR  35 -14.409  -2.648   2.201
  268   HG23  THR  35          2HG2      THR  35 -13.522  -2.621   0.675
  269    H    ASP  36           H        ASP  36 -11.667   1.380   0.401
  270    HA   ASP  36           HA       ASP  36 -12.819   4.081   0.625
  271    HB2  ASP  36           2HB      ASP  36 -12.660   3.079   2.957
  272    HB3  ASP  36           3HB      ASP  36 -10.921   2.943   2.732
  273    HA   PRO  37           HA       PRO  37  -9.017   3.987  -2.084
  274    HB2  PRO  37           2HB      PRO  37  -9.878   6.009  -3.759
  275    HB3  PRO  37           3HB      PRO  37 -10.322   4.309  -3.975
  276    HG2  PRO  37           2HG      PRO  37 -11.889   6.514  -2.631
  277    HG3  PRO  37           3HG      PRO  37 -12.441   5.306  -3.813
  278    HD2  PRO  37           2HD      PRO  37 -12.918   4.976  -1.189
  279    HD3  PRO  37           3HD      PRO  37 -12.514   3.588  -2.228
  280    H    ASP  38           H        ASP  38 -10.470   6.341  -0.057
  281    HA   ASP  38           HA       ASP  38  -8.717   8.534  -0.358
  282    HB2  ASP  38           2HB      ASP  38 -10.908   8.777   0.681
  283    HB3  ASP  38           3HB      ASP  38 -10.495   7.612   1.932
  284    H    TYR  39           H        TYR  39  -8.571   5.603   1.663
  285    HA   TYR  39           HA       TYR  39  -6.619   6.574   3.480
  286    HB2  TYR  39           2HB      TYR  39  -8.298   4.611   3.815
  287    HB3  TYR  39           3HB      TYR  39  -7.106   3.612   2.987
  288    HD1  TYR  39           HD1      TYR  39  -6.435   6.391   5.393
  289    HD2  TYR  39           HD2      TYR  39  -6.409   2.168   4.795
  290    HE1  TYR  39           HE1      TYR  39  -5.266   6.109   7.520
  291    HE2  TYR  39           HE2      TYR  39  -5.229   1.882   6.930
  292    HH   TYR  39           HH       TYR  39  -3.789   3.205   8.440
  293    H    VAL  40           H        VAL  40  -4.871   7.372   2.524
  294    HA   VAL  40           HA       VAL  40  -3.494   6.368   0.257
  295    HB   VAL  40           HB       VAL  40  -2.485   8.353   2.355
  296   HG11  VAL  40          1HG1      VAL  40  -1.581   7.918  -0.520
  297   HG12  VAL  40          2HG1      VAL  40  -0.664   7.542   0.940
  298   HG13  VAL  40          3HG1      VAL  40  -1.026   9.217   0.541
  299   HG21  VAL  40          3HG2      VAL  40  -3.325  10.147   0.899
  300   HG22  VAL  40          1HG2      VAL  40  -4.643   9.089   1.408
  301   HG23  VAL  40          2HG2      VAL  40  -3.981   8.955  -0.224
  302    H    GLY  41           H        GLY  41  -3.009   6.012   3.726
  303    HA2  GLY  41           2HA      GLY  41  -0.333   5.184   3.855
  304    HA3  GLY  41           3HA      GLY  41  -1.574   4.825   5.043
  305    H    THR  42           H        THR  42  -3.265   3.392   3.175
  306    HA   THR  42           HA       THR  42  -2.354   0.758   3.335
  307    HB   THR  42           HB       THR  42  -4.384   1.942   1.388
  308    HG1  THR  42           HG1      THR  42  -5.820   1.688   2.980
  309   HG21  THR  42          3HG2      THR  42  -4.016  -0.916   2.355
  310   HG22  THR  42          1HG2      THR  42  -3.681  -0.323   0.725
  311   HG23  THR  42          2HG2      THR  42  -5.335  -0.332   1.337
  312    H    TYR  43           H        TYR  43  -2.361   3.015   0.544
  313    HA   TYR  43           HA       TYR  43  -1.755   1.196  -1.464
  314    HB2  TYR  43           2HB      TYR  43  -1.262   4.193  -1.288
  315    HB3  TYR  43           3HB      TYR  43  -0.945   3.272  -2.754
  316    HD1  TYR  43           HD2      TYR  43  -3.618   4.554  -0.524
  317    HD2  TYR  43           HD1      TYR  43  -2.779   2.448  -4.148
  318    HE1  TYR  43           HE2      TYR  43  -5.947   4.851  -1.249
  319    HE2  TYR  43           HE1      TYR  43  -5.103   2.748  -4.856
  320    HH   TYR  43           HH       TYR  43  -7.201   4.909  -3.376
  321    H    TYR  44           H        TYR  44   0.516   3.356   0.262
  322    HA   TYR  44           HA       TYR  44   2.871   2.607  -0.950
  323    HB2  TYR  44           2HB      TYR  44   2.556   4.532   0.623
  324    HB3  TYR  44           3HB      TYR  44   2.517   3.402   1.972
  325    HD1  TYR  44           HD2      TYR  44   4.701   4.649  -0.806
  326    HD2  TYR  44           HD1      TYR  44   4.585   2.691   2.986
  327    HE1  TYR  44           HE2      TYR  44   7.148   4.793  -0.637
  328    HE2  TYR  44           HE1      TYR  44   7.024   2.836   3.138
  329    HH   TYR  44           HH       TYR  44   8.853   4.839   1.162
  330    H    HIS  45           H        HIS  45   1.596   1.329   2.117
  331    HA   HIS  45           HA       HIS  45   3.686  -0.579   2.491
  332    HB2  HIS  45           2HB      HIS  45   1.009  -0.271   3.911
  333    HB3  HIS  45           3HB      HIS  45   2.270  -1.396   4.419
  334    HD1  HIS  45           HD1      HIS  45   3.660  -0.443   6.264
  335    HD2  HIS  45           HD2      HIS  45   2.267   2.528   3.726
  336    HE1  HIS  45           HE1      HIS  45   4.518   1.706   7.213
  337    HE2  HIS  45           HE2      HIS  45   3.502   3.500   5.766
  338    H    LEU  46           H        LEU  46   0.578  -0.776   0.960
  339    HA   LEU  46           HA       LEU  46   0.408  -3.595   0.592
  340    HB2  LEU  46           2HB      LEU  46  -1.567  -2.207   0.347
  341    HB3  LEU  46           3HB      LEU  46  -0.808  -1.244  -0.905
  342    HG   LEU  46           HG       LEU  46  -0.969  -3.079  -2.509
  343   HD11  LEU  46          1HD1      LEU  46  -2.036  -5.219  -2.011
  344   HD12  LEU  46          2HD1      LEU  46  -2.181  -4.782  -0.310
  345   HD13  LEU  46          3HD1      LEU  46  -0.587  -5.001  -1.034
  346   HD21  LEU  46          3HD2      LEU  46  -3.616  -2.703  -1.070
  347   HD22  LEU  46          1HD2      LEU  46  -3.403  -3.264  -2.733
  348   HD23  LEU  46          2HD2      LEU  46  -2.933  -1.625  -2.291
  349    H    GLY  47           H        GLY  47   1.836  -0.917  -1.268
  350    HA2  GLY  47           2HA      GLY  47   2.680  -2.430  -3.536
  351    HA3  GLY  47           3HA      GLY  47   3.224  -0.830  -3.072
  352    H    LYS  48           H        LYS  48   4.176  -1.525  -0.472
  353    HA   LYS  48           HA       LYS  48   6.822  -2.391  -0.979
  354    HB2  LYS  48           2HB      LYS  48   5.321  -2.265   1.675
  355    HB3  LYS  48           3HB      LYS  48   7.058  -2.482   1.513
  356    HG2  LYS  48           2HG      LYS  48   5.486  -0.013   0.727
  357    HG3  LYS  48           3HG      LYS  48   6.480  -0.200   2.166
  358    HD2  LYS  48           2HD      LYS  48   7.484  -0.202  -0.708
  359    HD3  LYS  48           3HD      LYS  48   7.605   1.136   0.432
  360    HE2  LYS  48           2HE      LYS  48   9.746   0.175   0.477
  361    HE3  LYS  48           3HE      LYS  48   8.980  -0.509   1.905
  362    HZ1  LYS  48           3HZ      LYS  48  10.266  -2.098   0.521
  363    HZ2  LYS  48           1HZ      LYS  48   9.132  -1.893  -0.716
  364    HZ3  LYS  48           2HZ      LYS  48   8.660  -2.561   0.763
  365    H    LEU  49           H        LEU  49   3.958  -3.983   0.338
  366    HA   LEU  49           HA       LEU  49   5.086  -6.528   0.874
  367    HB2  LEU  49           2HB      LEU  49   3.017  -5.907   1.924
  368    HB3  LEU  49           3HB      LEU  49   2.240  -5.605   0.378
  369    HG   LEU  49           HG       LEU  49   2.167  -8.000  -0.121
  370   HD11  LEU  49          1HD1      LEU  49   3.618  -8.463   2.500
  371   HD12  LEU  49          2HD1      LEU  49   4.241  -8.769   0.880
  372   HD13  LEU  49          3HD1      LEU  49   2.891  -9.714   1.492
  373   HD21  LEU  49          3HD2      LEU  49   0.593  -8.737   1.607
  374   HD22  LEU  49          1HD2      LEU  49   0.310  -7.054   1.170
  375   HD23  LEU  49          2HD2      LEU  49   1.136  -7.446   2.682
  376    H    TYR  50           H        TYR  50   3.410  -5.197  -1.980
  377    HA   TYR  50           HA       TYR  50   3.384  -7.413  -3.651
  378    HB2  TYR  50           2HB      TYR  50   3.574  -4.444  -4.189
  379    HB3  TYR  50           3HB      TYR  50   3.703  -5.571  -5.531
  380    HD1  TYR  50           HD2      TYR  50   1.713  -7.628  -4.888
  381    HD2  TYR  50           HD1      TYR  50   1.467  -3.384  -4.445
  382    HE1  TYR  50           HE2      TYR  50  -0.720  -7.734  -5.118
  383    HE2  TYR  50           HE1      TYR  50  -0.972  -3.509  -4.688
  384    HH   TYR  50           HH       TYR  50  -2.643  -5.046  -5.699
  385    H    GLU  51           H        GLU  51   6.036  -5.076  -3.135
  386    HA   GLU  51           HA       GLU  51   7.879  -6.087  -4.999
  387    HB2  GLU  51           2HB      GLU  51   8.398  -4.724  -2.334
  388    HB3  GLU  51           3HB      GLU  51   9.616  -4.980  -3.583
  389    HG2  GLU  51           2HG      GLU  51   8.310  -3.568  -5.141
  390    HG3  GLU  51           3HG      GLU  51   7.104  -3.309  -3.878
  391    H    ARG  52           H        ARG  52   7.195  -7.120  -1.667
  392    HA   ARG  52           HA       ARG  52   9.269  -9.054  -1.393
  393    HB2  ARG  52           2HB      ARG  52   6.535  -8.897  -0.046
  394    HB3  ARG  52           3HB      ARG  52   7.782 -10.056   0.404
  395    HG2  ARG  52           2HG      ARG  52   9.281  -8.156   1.002
  396    HG3  ARG  52           3HG      ARG  52   7.965  -7.035   0.636
  397    HD2  ARG  52           2HD      ARG  52   6.594  -8.014   2.410
  398    HD3  ARG  52           3HD      ARG  52   7.831  -9.235   2.733
  399    HE   ARG  52           HE       ARG  52   8.993  -6.698   3.011
  400   HH11  ARG  52          1HH1      ARG  52   6.608  -8.693   4.679
  401   HH12  ARG  52          2HH1      ARG  52   6.905  -7.942   6.216
  402   HH21  ARG  52          1HH2      ARG  52   9.333  -5.733   5.025
  403   HH22  ARG  52          2HH2      ARG  52   8.443  -6.287   6.407
  404    H    LEU  53           H        LEU  53   5.944  -9.220  -2.582
  405    HA   LEU  53           HA       LEU  53   5.915 -12.076  -2.977
  406    HB2  LEU  53           2HB      LEU  53   3.943  -9.936  -3.862
  407    HB3  LEU  53           3HB      LEU  53   3.637 -11.669  -3.881
  408    HG   LEU  53           HG       LEU  53   4.023  -9.916  -1.416
  409   HD11  LEU  53          1HD1      LEU  53   1.836  -9.633  -2.447
  410   HD12  LEU  53          2HD1      LEU  53   1.694 -10.456  -0.898
  411   HD13  LEU  53          3HD1      LEU  53   1.556 -11.377  -2.398
  412   HD21  LEU  53          3HD2      LEU  53   3.561 -12.920  -1.500
  413   HD22  LEU  53          1HD2      LEU  53   3.560 -11.911  -0.049
  414   HD23  LEU  53          2HD2      LEU  53   5.040 -12.104  -0.982
  415    H    ASP  54           H        ASP  54   7.780 -10.149  -4.642
  416    HA   ASP  54           HA       ASP  54   8.649  -9.951  -6.713
  417    HB2  ASP  54           2HB      ASP  54   8.861 -12.420  -6.493
  418    HB3  ASP  54           3HB      ASP  54   7.249 -12.636  -7.156
  419    H    ARG  55           H        ARG  55   5.874  -9.008  -6.103
  420    HA   ARG  55           HA       ARG  55   4.735  -8.706  -8.805
  421    HB2  ARG  55           2HB      ARG  55   3.342  -8.384  -6.106
  422    HB3  ARG  55           3HB      ARG  55   2.589  -8.123  -7.676
  423    HG2  ARG  55           2HG      ARG  55   3.454 -10.730  -6.415
  424    HG3  ARG  55           3HG      ARG  55   1.855 -10.249  -6.989
  425    HD2  ARG  55           2HD      ARG  55   4.278 -11.022  -8.644
  426    HD3  ARG  55           3HD      ARG  55   2.709 -11.813  -8.565
  427    HE   ARG  55           HE       ARG  55   1.792  -9.763  -9.687
  428   HH11  ARG  55          1HH1      ARG  55   5.204 -10.558 -10.139
  429   HH12  ARG  55          2HH1      ARG  55   5.318  -9.728 -11.654
  430   HH21  ARG  55          1HH2      ARG  55   1.986  -8.641 -11.669
  431   HH22  ARG  55          2HH2      ARG  55   3.496  -8.647 -12.525
  432    H    THR  56           H        THR  56   6.927  -7.228  -8.217
  433    HA   THR  56           HA       THR  56   6.470  -4.644  -7.202
  434    HB   THR  56           HB       THR  56   8.538  -5.678  -9.173
  435    HG1  THR  56           HG1      THR  56   8.882  -4.978  -6.441
  436   HG21  THR  56          3HG2      THR  56   8.519  -3.019  -7.713
  437   HG22  THR  56          1HG2      THR  56   8.335  -3.237  -9.455
  438   HG23  THR  56          2HG2      THR  56   9.859  -3.653  -8.671
  439    H    ASP  57           H        ASP  57   5.788  -6.081 -10.343
  440    HA   ASP  57           HA       ASP  57   5.132  -3.820 -11.903
  441    HB2  ASP  57           2HB      ASP  57   5.233  -5.987 -12.960
  442    HB3  ASP  57           3HB      ASP  57   4.084  -6.676 -11.822
  443    H    ASP  58           H        ASP  58   3.129  -5.792  -9.765
  444    HA   ASP  58           HA       ASP  58   0.753  -4.234  -9.819
  445    HB2  ASP  58           2HB      ASP  58   1.777  -6.208  -7.743
  446    HB3  ASP  58           3HB      ASP  58   0.185  -5.456  -7.650
  447    H    ALA  59           H        ALA  59   3.661  -4.053  -7.838
  448    HA   ALA  59           HA       ALA  59   2.818  -2.244  -5.850
  449    HB1  ALA  59           3HB      ALA  59   4.947  -3.492  -5.672
  450    HB2  ALA  59           1HB      ALA  59   5.200  -1.757  -5.467
  451    HB3  ALA  59           2HB      ALA  59   5.623  -2.537  -6.993
  452    H    ILE  60           H        ILE  60   4.346  -1.660  -9.032
  453    HA   ILE  60           HA       ILE  60   4.634   1.128  -8.938
  454    HB   ILE  60           HB       ILE  60   4.011  -0.496 -11.447
  455   HG12  ILE  60          2HG1      ILE  60   5.915  -1.539 -10.360
  456   HG13  ILE  60          3HG1      ILE  60   6.498  -0.667 -11.761
  457   HG21  ILE  60          1HG2      ILE  60   5.438   2.169 -11.148
  458   HG22  ILE  60          2HG2      ILE  60   3.831   1.913 -11.831
  459   HG23  ILE  60          3HG2      ILE  60   5.251   1.275 -12.660
  460   HD11  ILE  60          3HD1      ILE  60   8.014  -0.413  -9.913
  461   HD12  ILE  60          1HD1      ILE  60   6.718   0.206  -8.888
  462   HD13  ILE  60          2HD1      ILE  60   7.263   1.138 -10.284
  463    H    ASP  61           H        ASP  61   1.970  -0.867 -10.080
  464    HA   ASP  61           HA       ASP  61   0.154   1.076 -10.968
  465    HB2  ASP  61           2HB      ASP  61  -0.142  -1.279 -11.508
  466    HB3  ASP  61           3HB      ASP  61  -0.250  -1.709  -9.805
  467    H    THR  62           H        THR  62   0.549  -0.401  -7.760
  468    HA   THR  62           HA       THR  62  -1.733   0.858  -6.571
  469    HB   THR  62           HB       THR  62   0.636  -0.507  -5.212
  470    HG1  THR  62           HG1      THR  62  -0.693  -1.687  -6.881
  471   HG21  THR  62          3HG2      THR  62  -0.970  -0.980  -3.389
  472   HG22  THR  62          1HG2      THR  62  -2.211  -0.056  -4.227
  473   HG23  THR  62          2HG2      THR  62  -0.769   0.762  -3.612
  474    H    TYR  63           H        TYR  63   1.676   1.624  -6.750
  475    HA   TYR  63           HA       TYR  63   1.685   3.815  -4.914
  476    HB2  TYR  63           2HB      TYR  63   3.593   3.074  -7.166
  477    HB3  TYR  63           3HB      TYR  63   3.860   4.439  -6.088
  478    HD1  TYR  63           HD1      TYR  63   3.135   3.298  -3.448
  479    HD2  TYR  63           HD2      TYR  63   5.338   1.549  -6.655
  480    HE1  TYR  63           HE1      TYR  63   4.326   1.873  -1.857
  481    HE2  TYR  63           HE2      TYR  63   6.521   0.113  -5.056
  482    HH   TYR  63           HH       TYR  63   7.057   0.001  -2.750
  483    H    ALA  64           H        ALA  64   1.355   3.522  -8.450
  484    HA   ALA  64           HA       ALA  64   1.111   6.219  -9.163
  485    HB1  ALA  64           3HB      ALA  64   0.056   5.401 -11.236
  486    HB2  ALA  64           1HB      ALA  64  -0.192   3.817 -10.494
  487    HB3  ALA  64           2HB      ALA  64   1.446   4.399 -10.805
  488    H    GLN  65           H        GLN  65  -1.358   3.862  -8.238
  489    HA   GLN  65           HA       GLN  65  -3.647   5.512  -8.445
  490    HB2  GLN  65           2HB      GLN  65  -3.115   2.799  -7.840
  491    HB3  GLN  65           3HB      GLN  65  -3.815   3.409  -6.358
  492    HG2  GLN  65           2HG      GLN  65  -5.167   3.694  -9.050
  493    HG3  GLN  65           3HG      GLN  65  -5.385   2.295  -8.011
  494   HE21  GLN  65          1HE2      GLN  65  -5.376   5.823  -7.223
  495   HE22  GLN  65          2HE2      GLN  65  -6.944   5.809  -6.527
  496    H    GLY  66           H        GLY  66  -1.444   4.725  -5.810
  497    HA2  GLY  66           2HA      GLY  66  -2.557   6.168  -3.699
  498    HA3  GLY  66           3HA      GLY  66  -0.857   5.755  -3.873
  499    H    ILE  67           H        ILE  67  -0.386   7.225  -6.281
  500    HA   ILE  67           HA       ILE  67   0.468   9.697  -5.329
  501    HB   ILE  67           HB       ILE  67   0.004   8.674  -8.156
  502   HG12  ILE  67          2HG1      ILE  67   2.589   9.289  -6.652
  503   HG13  ILE  67          3HG1      ILE  67   1.889   7.691  -6.854
  504   HG21  ILE  67          1HG2      ILE  67   1.213  11.391  -7.517
  505   HG22  ILE  67          2HG2      ILE  67  -0.317  11.097  -8.343
  506   HG23  ILE  67          3HG2      ILE  67   1.199  10.623  -9.107
  507   HD11  ILE  67          3HD1      ILE  67   2.243   7.831  -9.263
  508   HD12  ILE  67          1HD1      ILE  67   3.743   8.056  -8.363
  509   HD13  ILE  67          2HD1      ILE  67   2.927   9.449  -9.072
  510    H    GLU  68           H        GLU  68  -2.437   8.855  -7.161
  511    HA   GLU  68           HA       GLU  68  -3.442  11.422  -7.728
  512    HB2  GLU  68           2HB      GLU  68  -5.021   8.837  -7.327
  513    HB3  GLU  68           3HB      GLU  68  -5.562  10.258  -8.225
  514    HG2  GLU  68           2HG      GLU  68  -3.851   9.885  -9.918
  515    HG3  GLU  68           3HG      GLU  68  -3.171   8.549  -8.992
  516    H    VAL  69           H        VAL  69  -4.065   9.185  -5.061
  517    HA   VAL  69           HA       VAL  69  -5.991  10.956  -3.790
  518    HB   VAL  69           HB       VAL  69  -6.365   9.201  -2.180
  519   HG11  VAL  69          1HG1      VAL  69  -7.458   8.913  -4.360
  520   HG12  VAL  69          2HG1      VAL  69  -7.076   7.341  -3.660
  521   HG13  VAL  69          3HG1      VAL  69  -6.078   7.995  -4.965
  522   HG21  VAL  69          3HG2      VAL  69  -4.051   8.465  -1.791
  523   HG22  VAL  69          1HG2      VAL  69  -4.013   7.687  -3.371
  524   HG23  VAL  69          2HG2      VAL  69  -5.102   7.087  -2.113
  525    H    ALA  70           H        ALA  70  -2.604  10.359  -3.572
  526    HA   ALA  70           HA       ALA  70  -2.175  11.199  -0.848
  527    HB1  ALA  70           3HB      ALA  70  -0.173  11.000  -3.107
  528    HB2  ALA  70           1HB      ALA  70  -0.585   9.718  -1.969
  529    HB3  ALA  70           2HB      ALA  70   0.214  11.182  -1.392
  530    H    ARG  71           H        ARG  71  -1.729  12.770  -4.013
  531    HA   ARG  71           HA       ARG  71  -0.690  15.215  -3.041
  532    HB2  ARG  71           2HB      ARG  71  -1.269  16.117  -5.329
  533    HB3  ARG  71           3HB      ARG  71  -0.312  14.642  -5.344
  534    HG2  ARG  71           2HG      ARG  71  -2.347  13.322  -5.820
  535    HG3  ARG  71           3HG      ARG  71  -3.304  14.802  -5.823
  536    HD2  ARG  71           2HD      ARG  71  -0.993  14.276  -7.721
  537    HD3  ARG  71           3HD      ARG  71  -2.686  13.945  -8.101
  538    HE   ARG  71           HE       ARG  71  -2.830  16.515  -7.417
  539   HH11  ARG  71          1HH1      ARG  71  -0.413  14.964  -9.442
  540   HH12  ARG  71          2HH1      ARG  71  -0.328  16.289 -10.554
  541   HH21  ARG  71          1HH2      ARG  71  -2.674  18.250  -8.868
  542   HH22  ARG  71          2HH2      ARG  71  -1.595  18.153 -10.222
  543    H    GLU  72           H        GLU  72  -4.040  14.144  -3.568
  544    HA   GLU  72           HA       GLU  72  -5.112  16.812  -3.006
  545    HB2  GLU  72           2HB      GLU  72  -6.631  14.228  -3.527
  546    HB3  GLU  72           3HB      GLU  72  -7.286  15.862  -3.548
  547    HG2  GLU  72           2HG      GLU  72  -5.352  14.627  -5.530
  548    HG3  GLU  72           3HG      GLU  72  -7.024  15.100  -5.818
  549    H    GLU  73           H        GLU  73  -5.361  13.536  -1.581
  550    HA   GLU  73           HA       GLU  73  -6.854  14.586   0.711
  551    HB2  GLU  73           2HB      GLU  73  -6.333  11.712  -0.123
  552    HB3  GLU  73           3HB      GLU  73  -7.420  12.232   1.162
  553    HG2  GLU  73           2HG      GLU  73  -7.736  12.867  -1.782
  554    HG3  GLU  73           3HG      GLU  73  -8.605  11.606  -0.910
  555    H    GLY  74           H        GLY  74  -3.841  12.747   0.061
  556    HA2  GLY  74           2HA      GLY  74  -3.239  12.435   2.906
  557    HA3  GLY  74           3HA      GLY  74  -2.294  11.855   1.544
  558    H    THR  75           H        THR  75  -0.546  12.732   3.036
  559    HA   THR  75           HA       THR  75  -0.099  15.626   2.872
  560    HB   THR  75           HB       THR  75   1.973  15.195   4.140
  561    HG1  THR  75           HG1      THR  75   1.379  12.461   4.415
  562   HG21  THR  75          3HG2      THR  75   1.030  14.291   6.229
  563   HG22  THR  75          1HG2      THR  75  -0.356  13.649   5.340
  564   HG23  THR  75          2HG2      THR  75  -0.112  15.394   5.459
  565    H    GLN  76           H        GLN  76   2.101  16.373   2.052
  566    HA   GLN  76           HA       GLN  76   2.684  15.416  -0.586
  567    HB2  GLN  76           2HB      GLN  76   2.990  17.799   0.103
  568    HB3  GLN  76           3HB      GLN  76   4.303  17.319   1.170
  569    HG2  GLN  76           2HG      GLN  76   5.664  16.636  -0.729
  570    HG3  GLN  76           3HG      GLN  76   4.329  16.920  -1.842
  571   HE21  GLN  76          1HE2      GLN  76   3.739  19.056  -2.334
  572   HE22  GLN  76          2HE2      GLN  76   4.799  20.388  -2.053
  573    H    LYS  77           H        LYS  77   3.925  14.801   2.613
  574    HA   LYS  77           HA       LYS  77   6.286  13.396   2.048
  575    HB2  LYS  77           2HB      LYS  77   5.572  14.074   4.339
  576    HB3  LYS  77           3HB      LYS  77   4.264  12.901   4.278
  577    HG2  LYS  77           2HG      LYS  77   5.848  11.043   4.258
  578    HG3  LYS  77           3HG      LYS  77   7.212  12.159   4.143
  579    HD2  LYS  77           2HD      LYS  77   5.297  11.890   6.498
  580    HD3  LYS  77           3HD      LYS  77   6.967  11.316   6.446
  581    HE2  LYS  77           2HE      LYS  77   7.742  13.659   6.187
  582    HE3  LYS  77           3HE      LYS  77   6.073  14.222   6.287
  583    HZ1  LYS  77           3HZ      LYS  77   7.097  14.463   8.399
  584    HZ2  LYS  77           1HZ      LYS  77   7.632  12.856   8.407
  585    HZ3  LYS  77           2HZ      LYS  77   5.982  13.201   8.525
  586    H    ASP  78           H        ASP  78   2.899  12.294   2.266
  587    HA   ASP  78           HA       ASP  78   3.296   9.547   1.720
  588    HB2  ASP  78           2HB      ASP  78   0.872  11.330   1.245
  589    HB3  ASP  78           3HB      ASP  78   0.855   9.604   0.894
  590    H    LEU  79           H        LEU  79   2.533  12.283  -0.398
  591    HA   LEU  79           HA       LEU  79   2.270  10.947  -2.836
  592    HB2  LEU  79           2HB      LEU  79   1.583  13.291  -2.481
  593    HB3  LEU  79           3HB      LEU  79   3.258  13.775  -2.266
  594    HG   LEU  79           HG       LEU  79   3.718  13.141  -4.658
  595   HD11  LEU  79          1HD1      LEU  79   0.725  12.699  -4.827
  596   HD12  LEU  79          2HD1      LEU  79   1.981  11.465  -4.980
  597   HD13  LEU  79          3HD1      LEU  79   1.846  12.735  -6.191
  598   HD21  LEU  79          3HD2      LEU  79   1.509  15.188  -4.295
  599   HD22  LEU  79          1HD2      LEU  79   2.598  15.072  -5.680
  600   HD23  LEU  79          2HD2      LEU  79   3.239  15.475  -4.089
  601    H    SER  80           H        SER  80   5.123  12.496  -1.403
  602    HA   SER  80           HA       SER  80   6.892  12.027  -3.559
  603    HB2  SER  80           2HB      SER  80   7.148  13.849  -1.832
  604    HB3  SER  80           3HB      SER  80   7.629  12.620  -0.662
  605    HG   SER  80           HG       SER  80   8.984  13.590  -2.916
  606    H    GLU  81           H        GLU  81   6.078  10.195  -0.658
  607    HA   GLU  81           HA       GLU  81   8.186   8.280  -0.799
  608    HB2  GLU  81           2HB      GLU  81   5.530   8.402   0.656
  609    HB3  GLU  81           3HB      GLU  81   6.452   6.904   0.658
  610    HG2  GLU  81           2HG      GLU  81   7.497   9.579   1.649
  611    HG3  GLU  81           3HG      GLU  81   6.841   8.297   2.673
  612    H    LEU  82           H        LEU  82   4.809   8.225  -1.920
  613    HA   LEU  82           HA       LEU  82   4.768   5.618  -2.996
  614    HB2  LEU  82           2HB      LEU  82   3.165   8.115  -3.637
  615    HB3  LEU  82           3HB      LEU  82   2.791   6.548  -4.341
  616    HG   LEU  82           HG       LEU  82   2.906   6.833  -1.318
  617   HD11  LEU  82          1HD1      LEU  82   0.519   7.330  -1.245
  618   HD12  LEU  82          2HD1      LEU  82   0.486   7.482  -3.002
  619   HD13  LEU  82          3HD1      LEU  82   1.415   8.626  -2.035
  620   HD21  LEU  82          3HD2      LEU  82   1.279   4.986  -1.396
  621   HD22  LEU  82          1HD2      LEU  82   2.771   4.577  -2.238
  622   HD23  LEU  82          2HD2      LEU  82   1.331   5.010  -3.160
  623    H    GLN  83           H        GLN  83   5.586   8.745  -4.438
  624    HA   GLN  83           HA       GLN  83   6.030   7.869  -7.108
  625    HB2  GLN  83           2HB      GLN  83   7.020  10.312  -5.577
  626    HB3  GLN  83           3HB      GLN  83   7.308  10.068  -7.297
  627    HG2  GLN  83           2HG      GLN  83   4.931  10.153  -7.766
  628    HG3  GLN  83           3HG      GLN  83   4.551  10.208  -6.048
  629   HE21  GLN  83          1HE2      GLN  83   6.637  12.141  -5.398
  630   HE22  GLN  83          2HE2      GLN  83   6.104  13.657  -6.021
  631    H    ASP  84           H        ASP  84   8.174   8.392  -4.312
  632    HA   ASP  84           HA       ASP  84  10.648   7.922  -5.603
  633    HB2  ASP  84           2HB      ASP  84  10.540   9.123  -3.461
  634    HB3  ASP  84           3HB      ASP  84   9.907   7.696  -2.652
  635    H    ALA  85           H        ALA  85   8.421   5.821  -3.878
  636    HA   ALA  85           HA       ALA  85  10.103   3.551  -3.676
  637    HB1  ALA  85           3HB      ALA  85   7.068   3.693  -3.562
  638    HB2  ALA  85           1HB      ALA  85   8.160   3.908  -2.193
  639    HB3  ALA  85           2HB      ALA  85   8.066   2.345  -3.008
  640    H    LYS  86           H        LYS  86   7.559   4.494  -6.019
  641    HA   LYS  86           HA       LYS  86   7.737   2.054  -7.502
  642    HB2  LYS  86           2HB      LYS  86   6.267   3.055  -9.145
  643    HB3  LYS  86           3HB      LYS  86   5.680   3.397  -7.528
  644    HG2  LYS  86           2HG      LYS  86   6.720   5.695  -7.748
  645    HG3  LYS  86           3HG      LYS  86   7.027   5.315  -9.443
  646    HD2  LYS  86           2HD      LYS  86   4.312   5.424  -8.073
  647    HD3  LYS  86           3HD      LYS  86   4.957   6.623  -9.190
  648    HE2  LYS  86           2HE      LYS  86   4.342   3.737  -9.908
  649    HE3  LYS  86           3HE      LYS  86   3.285   5.108 -10.223
  650    HZ1  LYS  86           3HZ      LYS  86   6.017   4.786 -11.327
  651    HZ2  LYS  86           1HZ      LYS  86   4.956   6.063 -11.644
  652    HZ3  LYS  86           2HZ      LYS  86   4.579   4.499 -12.165
  653    H    LEU  87           H        LEU  87   9.395   5.212  -7.846
  654    HA   LEU  87           HA       LEU  87  10.315   4.636 -10.496
  655    HB2  LEU  87           2HB      LEU  87  11.759   6.647 -10.291
  656    HB3  LEU  87           3HB      LEU  87  10.063   6.928  -9.979
  657    HG   LEU  87           HG       LEU  87  10.692   6.878  -7.462
  658   HD11  LEU  87          1HD1      LEU  87  12.950   7.552  -6.851
  659   HD12  LEU  87          2HD1      LEU  87  13.480   7.362  -8.523
  660   HD13  LEU  87          3HD1      LEU  87  12.946   5.958  -7.600
  661   HD21  LEU  87          3HD2      LEU  87  10.004   8.907  -8.652
  662   HD22  LEU  87          1HD2      LEU  87  11.669   9.184  -9.170
  663   HD23  LEU  87          2HD2      LEU  87  11.249   9.255  -7.456
  664    H    LYS  88           H        LYS  88  11.751   4.213  -7.262
  665    HA   LYS  88           HA       LYS  88  14.176   3.108  -8.347
  666    HB2  LYS  88           2HB      LYS  88  14.776   2.483  -6.079
  667    HB3  LYS  88           3HB      LYS  88  14.184   4.135  -6.132
  668    HG2  LYS  88           2HG      LYS  88  12.158   3.576  -5.036
  669    HG3  LYS  88           3HG      LYS  88  12.430   1.844  -5.251
  670    HD2  LYS  88           2HD      LYS  88  14.274   1.857  -3.692
  671    HD3  LYS  88           3HD      LYS  88  14.265   3.621  -3.593
  672    HE2  LYS  88           2HE      LYS  88  11.957   1.877  -2.684
  673    HE3  LYS  88           3HE      LYS  88  13.243   2.434  -1.610
  674    HZ1  LYS  88           3HZ      LYS  88  12.628   4.691  -2.036
  675    HZ2  LYS  88           1HZ      LYS  88  11.249   3.840  -1.553
  676    HZ3  LYS  88           2HZ      LYS  88  11.479   4.229  -3.182
  677    H    ALA  89           H        ALA  89  11.064   1.727  -7.336
  678    HA   ALA  89           HA       ALA  89  11.745  -0.997  -7.378
  679    HB1  ALA  89           3HB      ALA  89   9.333  -1.391  -7.487
  680    HB2  ALA  89           1HB      ALA  89   9.058   0.281  -7.967
  681    HB3  ALA  89           2HB      ALA  89   9.689  -0.087  -6.362
  682    H    GLU  90           H        GLU  90  10.961   1.168 -10.055
  683    HA   GLU  90           HA       GLU  90  10.752  -0.523 -12.228
  684    HB2  GLU  90           2HB      GLU  90  12.406   2.032 -12.058
  685    HB3  GLU  90           3HB      GLU  90  11.901   1.268 -13.564
  686    HG2  GLU  90           2HG      GLU  90   9.961   2.331 -11.478
  687    HG3  GLU  90           3HG      GLU  90  10.541   3.273 -12.847
  688    H    GLY  91           H        GLY  91  13.547   0.010 -10.226
  689    HA2  GLY  91           2HA      GLY  91  15.570  -1.079 -11.952
  690    HA3  GLY  91           3HA      GLY  91  15.712  -0.771 -10.231
  691    H    LEU  92           H        LEU  92  13.226  -2.462  -9.764
  692    HA   LEU  92           HA       LEU  92  14.520  -5.032  -9.476
  693    HB2  LEU  92           2HB      LEU  92  11.623  -4.243  -8.954
  694    HB3  LEU  92           3HB      LEU  92  12.369  -5.758  -8.462
  695    HG   LEU  92           HG       LEU  92  13.096  -2.988  -7.406
  696   HD11  LEU  92          1HD1      LEU  92  11.645  -5.266  -6.025
  697   HD12  LEU  92          2HD1      LEU  92  10.935  -3.740  -6.558
  698   HD13  LEU  92          3HD1      LEU  92  12.139  -3.745  -5.273
  699   HD21  LEU  92          3HD2      LEU  92  14.563  -4.154  -5.806
  700   HD22  LEU  92          1HD2      LEU  92  15.087  -4.412  -7.469
  701   HD23  LEU  92          2HD2      LEU  92  14.233  -5.693  -6.604
  702    H    GLU  93           H        GLU  93  11.343  -4.216 -11.005
  703    HA   GLU  93           HA       GLU  93  12.111  -5.802 -13.370
  704    HB2  GLU  93           2HB      GLU  93   9.849  -6.815 -13.523
  705    HB3  GLU  93           3HB      GLU  93  10.722  -7.332 -12.091
  706    HG2  GLU  93           2HG      GLU  93   9.358  -6.029 -10.647
  707    HG3  GLU  93           3HG      GLU  93   8.661  -5.120 -11.981
  708    H    HIS  94           H        HIS  94  12.528  -3.761 -14.368
  709    HA   HIS  94           HA       HIS  94  10.220  -2.206 -15.216
  710    HB2  HIS  94           2HB      HIS  94  11.830  -1.069 -16.784
  711    HB3  HIS  94           3HB      HIS  94  12.314  -0.995 -15.097
  712    HD1  HIS  94           HD1      HIS  94  14.573  -1.965 -14.481
  713    HD2  HIS  94           HD2      HIS  94  13.478  -2.799 -18.403
  714    HE1  HIS  94           HE1      HIS  94  16.632  -2.912 -15.573
  715    HE2  HIS  94           HE2      HIS  94  15.940  -3.404 -17.945
  716    H    HIS  95           H        HIS  95  11.577  -5.211 -16.045
  717    HA   HIS  95           HA       HIS  95  10.615  -5.259 -18.782
  718    HB2  HIS  95           2HB      HIS  95  11.298  -7.612 -18.846
  719    HB3  HIS  95           3HB      HIS  95  12.594  -6.622 -18.215
  720    HD1  HIS  95           HD1      HIS  95  13.231  -6.983 -15.689
  721    HD2  HIS  95           HD2      HIS  95  10.385  -9.622 -17.140
  722    HE1  HIS  95           HE1      HIS  95  13.077  -8.804 -13.976
  723    HE2  HIS  95           HE2      HIS  95  11.258 -10.327 -14.818
  724    H    HIS  96           H        HIS  96   8.500  -4.839 -18.809
  725    HA   HIS  96           HA       HIS  96   6.712  -7.041 -18.362
  726    HB2  HIS  96           2HB      HIS  96   5.083  -5.963 -16.914
  727    HB3  HIS  96           3HB      HIS  96   6.637  -5.899 -16.099
  728    HD1  HIS  96           HD1      HIS  96   3.840  -3.937 -16.271
  729    HD2  HIS  96           HD2      HIS  96   7.841  -3.098 -17.020
  730    HE1  HIS  96           HE1      HIS  96   4.055  -1.448 -16.061
  731    HE2  HIS  96           HE2      HIS  96   6.513  -0.986 -16.350
  732    H    HIS  97           H        HIS  97   4.987  -6.929 -19.833
  733    HA   HIS  97           HA       HIS  97   5.076  -4.633 -21.720
  734    HB2  HIS  97           2HB      HIS  97   4.318  -7.530 -22.284
  735    HB3  HIS  97           3HB      HIS  97   4.286  -6.222 -23.464
  736    HD1  HIS  97           HD1      HIS  97   6.244  -8.969 -22.879
  737    HD2  HIS  97           HD2      HIS  97   7.176  -4.932 -23.197
  738    HE1  HIS  97           HE1      HIS  97   8.681  -8.885 -23.475
  739    HE2  HIS  97           HE2      HIS  97   9.254  -6.445 -23.449
  740    H    HIS  98           H        HIS  98   3.243  -5.723 -19.245
  741    HA   HIS  98           HA       HIS  98   1.003  -4.083 -19.978
  742    HB2  HIS  98           2HB      HIS  98  -0.766  -5.717 -20.046
  743    HB3  HIS  98           3HB      HIS  98   0.472  -6.326 -21.136
  744    HD1  HIS  98           HD1      HIS  98  -1.279  -7.083 -17.926
  745    HD2  HIS  98           HD2      HIS  98   1.751  -8.717 -20.246
  746    HE1  HIS  98           HE1      HIS  98  -0.842  -9.348 -16.957
  747    HE2  HIS  98           HE2      HIS  98   0.836 -10.393 -18.510
  748    H    HIS  99           H        HIS  99  -0.697  -4.161 -18.246
  749    HA   HIS  99           HA       HIS  99  -0.307  -5.768 -15.901
  750    HB2  HIS  99           2HB      HIS  99   1.012  -3.845 -15.142
  751    HB3  HIS  99           3HB      HIS  99  -0.244  -2.717 -15.640
  752    HD1  HIS  99           HD1      HIS  99   0.541  -5.269 -12.995
  753    HD2  HIS  99           HD2      HIS  99  -2.313  -2.375 -13.786
  754    HE1  HIS  99           HE1      HIS  99  -0.802  -5.067 -10.896
  755    HE2  HIS  99           HE2      HIS  99  -2.620  -3.419 -11.451
  Start of MODEL    7
    1    H1   GLU   1           1H       GLU   1 -10.867  -2.585  18.149
    2    H2   GLU   1           2H       GLU   1 -10.991  -2.373  19.816
    3    H3   GLU   1           3H       GLU   1 -12.252  -1.882  18.812
    4    HA   GLU   1           HA       GLU   1 -11.338  -4.660  19.234
    5    HB2  GLU   1           2HB      GLU   1 -13.767  -3.163  20.284
    6    HB3  GLU   1           3HB      GLU   1 -13.752  -4.915  20.178
    7    HG2  GLU   1           2HG      GLU   1 -13.220  -4.239  22.435
    8    HG3  GLU   1           3HG      GLU   1 -11.831  -5.025  21.695
    9    H    ASP   2           H        ASP   2 -13.051  -2.428  17.187
   10    HA   ASP   2           HA       ASP   2 -14.237  -4.600  15.613
   11    HB2  ASP   2           2HB      ASP   2 -15.276  -2.876  14.233
   12    HB3  ASP   2           3HB      ASP   2 -15.606  -2.573  15.928
   13    HA   PRO   3           HA       PRO   3 -10.392  -4.654  13.134
   14    HB2  PRO   3           2HB      PRO   3 -11.048  -6.804  11.574
   15    HB3  PRO   3           3HB      PRO   3 -10.521  -6.983  13.255
   16    HG2  PRO   3           2HG      PRO   3 -13.332  -6.930  12.148
   17    HG3  PRO   3           3HG      PRO   3 -12.607  -8.089  13.287
   18    HD2  PRO   3           2HD      PRO   3 -14.155  -6.042  14.135
   19    HD3  PRO   3           3HD      PRO   3 -12.760  -6.599  15.089
   20    H    GLU   4           H        GLU   4 -13.647  -4.079  12.185
   21    HA   GLU   4           HA       GLU   4 -13.325  -3.661   9.387
   22    HB2  GLU   4           2HB      GLU   4 -15.491  -2.782  11.323
   23    HB3  GLU   4           3HB      GLU   4 -15.598  -2.577   9.575
   24    HG2  GLU   4           2HG      GLU   4 -15.419  -5.069   9.321
   25    HG3  GLU   4           3HG      GLU   4 -15.436  -5.208  11.083
   26    H    ASP   5           H        ASP   5 -12.672  -1.672  12.145
   27    HA   ASP   5           HA       ASP   5 -12.689   0.900  11.009
   28    HB2  ASP   5           2HB      ASP   5 -12.407   0.555  13.427
   29    HB3  ASP   5           3HB      ASP   5 -10.879  -0.274  13.167
   30    HA   PRO   6           HA       PRO   6  -9.640   0.504   7.762
   31    HB2  PRO   6           2HB      PRO   6  -8.739   3.160   7.651
   32    HB3  PRO   6           3HB      PRO   6 -10.196   2.545   6.864
   33    HG2  PRO   6           2HG      PRO   6  -9.915   3.936   9.524
   34    HG3  PRO   6           3HG      PRO   6 -11.126   4.199   8.245
   35    HD2  PRO   6           2HD      PRO   6 -11.746   2.772  10.415
   36    HD3  PRO   6           3HD      PRO   6 -12.315   2.240   8.814
   37    H    PHE   7           H        PHE   7  -8.426   2.598  10.437
   38    HA   PHE   7           HA       PHE   7  -5.698   1.976   9.987
   39    HB2  PHE   7           2HB      PHE   7  -6.389   4.038  11.153
   40    HB3  PHE   7           3HB      PHE   7  -6.984   3.089  12.511
   41    HD1  PHE   7           HD1      PHE   7  -3.814   3.491  10.504
   42    HD2  PHE   7           HD2      PHE   7  -5.528   2.910  14.383
   43    HE1  PHE   7           HE1      PHE   7  -1.570   3.551  11.508
   44    HE2  PHE   7           HE2      PHE   7  -3.273   2.985  15.374
   45    HZ   PHE   7           HZ       PHE   7  -1.296   3.298  13.941
   46    H    THR   8           H        THR   8  -8.179   0.417  11.922
   47    HA   THR   8           HA       THR   8  -6.473  -1.090  13.620
   48    HB   THR   8           HB       THR   8  -9.360  -1.612  12.798
   49    HG1  THR   8           HG1      THR   8  -8.721   0.315  14.063
   50   HG21  THR   8          3HG2      THR   8  -8.353  -3.736  13.589
   51   HG22  THR   8          1HG2      THR   8  -9.509  -3.110  14.766
   52   HG23  THR   8          2HG2      THR   8  -7.778  -2.925  15.047
   53    H    ARG   9           H        ARG   9  -8.117  -1.922  10.529
   54    HA   ARG   9           HA       ARG   9  -6.953  -4.563  10.396
   55    HB2  ARG   9           2HB      ARG   9  -8.067  -4.793   8.260
   56    HB3  ARG   9           3HB      ARG   9  -9.161  -4.119   9.454
   57    HG2  ARG   9           2HG      ARG   9  -8.226  -1.822   8.255
   58    HG3  ARG   9           3HG      ARG   9  -8.176  -2.957   6.904
   59    HD2  ARG   9           2HD      ARG   9 -10.621  -3.552   7.710
   60    HD3  ARG   9           3HD      ARG   9 -10.538  -1.985   8.497
   61    HE   ARG   9           HE       ARG   9  -9.960  -1.142   6.149
   62   HH11  ARG   9          1HH1      ARG   9 -12.119  -3.808   6.797
   63   HH12  ARG   9          2HH1      ARG   9 -13.019  -3.592   5.335
   64   HH21  ARG   9          1HH2      ARG   9 -11.151  -0.866   4.219
   65   HH22  ARG   9          2HH2      ARG   9 -12.480  -1.925   3.881
   66    H    TYR  10           H        TYR  10  -6.113  -1.396   9.192
   67    HA   TYR  10           HA       TYR  10  -4.027  -2.054   7.401
   68    HB2  TYR  10           2HB      TYR  10  -4.848   0.204   7.422
   69    HB3  TYR  10           3HB      TYR  10  -4.583   0.372   9.149
   70    HD1  TYR  10           HD1      TYR  10  -2.726  -0.001   5.896
   71    HD2  TYR  10           HD2      TYR  10  -2.583   1.386   9.939
   72    HE1  TYR  10           HE1      TYR  10  -0.555   1.074   5.467
   73    HE2  TYR  10           HE2      TYR  10  -0.420   2.451   9.500
   74    HH   TYR  10           HH       TYR  10   0.788   2.965   6.415
   75    H    ALA  11           H        ALA  11  -4.033  -1.399  10.885
   76    HA   ALA  11           HA       ALA  11  -1.242  -1.842  11.326
   77    HB1  ALA  11           3HB      ALA  11  -2.570  -0.371  12.780
   78    HB2  ALA  11           1HB      ALA  11  -1.828  -1.674  13.715
   79    HB3  ALA  11           2HB      ALA  11  -3.546  -1.745  13.304
   80    H    LEU  12           H        LEU  12  -4.158  -3.798  11.555
   81    HA   LEU  12           HA       LEU  12  -3.071  -6.122  12.780
   82    HB2  LEU  12           2HB      LEU  12  -5.478  -5.672  12.799
   83    HB3  LEU  12           3HB      LEU  12  -5.539  -5.744  11.046
   84    HG   LEU  12           HG       LEU  12  -5.037  -8.177  11.124
   85   HD11  LEU  12          1HD1      LEU  12  -5.066  -9.429  13.233
   86   HD12  LEU  12          2HD1      LEU  12  -5.145  -7.920  14.147
   87   HD13  LEU  12          3HD1      LEU  12  -3.715  -8.298  13.180
   88   HD21  LEU  12          3HD2      LEU  12  -7.382  -7.437  11.084
   89   HD22  LEU  12          1HD2      LEU  12  -7.414  -7.405  12.852
   90   HD23  LEU  12          2HD2      LEU  12  -7.203  -8.934  11.996
   91    H    ALA  13           H        ALA  13  -3.402  -5.030   9.448
   92    HA   ALA  13           HA       ALA  13  -2.521  -7.355   8.104
   93    HB1  ALA  13           3HB      ALA  13  -3.635  -5.505   6.927
   94    HB2  ALA  13           1HB      ALA  13  -2.071  -5.871   6.188
   95    HB3  ALA  13           2HB      ALA  13  -2.250  -4.458   7.234
   96    H    GLN  14           H        GLN  14  -0.788  -4.555   9.448
   97    HA   GLN  14           HA       GLN  14   1.841  -5.325   8.730
   98    HB2  GLN  14           2HB      GLN  14   0.896  -3.594  11.056
   99    HB3  GLN  14           3HB      GLN  14   2.561  -3.692  10.475
  100    HG2  GLN  14           2HG      GLN  14   1.879  -2.777   8.301
  101    HG3  GLN  14           3HG      GLN  14   0.200  -2.725   8.831
  102   HE21  GLN  14          1HE2      GLN  14   1.964  -0.560   7.903
  103   HE22  GLN  14          2HE2      GLN  14   1.959   0.623   9.159
  104    H    GLU  15           H        GLU  15  -0.185  -6.144  11.537
  105    HA   GLU  15           HA       GLU  15   1.729  -7.635  13.002
  106    HB2  GLU  15           2HB      GLU  15  -1.280  -8.128  12.874
  107    HB3  GLU  15           3HB      GLU  15  -0.183  -8.744  14.106
  108    HG2  GLU  15           2HG      GLU  15  -0.972  -5.864  13.636
  109    HG3  GLU  15           3HG      GLU  15  -1.442  -6.885  14.991
  110    H    HIS  16           H        HIS  16  -0.599  -8.567  10.470
  111    HA   HIS  16           HA       HIS  16  -0.062 -11.312  10.357
  112    HB2  HIS  16           2HB      HIS  16  -1.187  -9.396   8.297
  113    HB3  HIS  16           3HB      HIS  16  -0.935 -11.092   7.909
  114    HD1  HIS  16           HD1      HIS  16  -2.130 -12.746   9.882
  115    HD2  HIS  16           HD2      HIS  16  -3.719  -8.975   9.189
  116    HE1  HIS  16           HE1      HIS  16  -4.487 -12.844  10.718
  117    HE2  HIS  16           HE2      HIS  16  -5.450 -10.586  10.200
  118    H    LEU  17           H        LEU  17   1.477  -8.611   8.636
  119    HA   LEU  17           HA       LEU  17   3.197 -10.004   6.941
  120    HB2  LEU  17           2HB      LEU  17   3.498  -7.328   8.348
  121    HB3  LEU  17           3HB      LEU  17   4.688  -7.910   7.193
  122    HG   LEU  17           HG       LEU  17   1.754  -7.449   6.516
  123   HD11  LEU  17          1HD1      LEU  17   2.464  -5.429   5.315
  124   HD12  LEU  17          2HD1      LEU  17   4.113  -5.641   5.913
  125   HD13  LEU  17          3HD1      LEU  17   2.799  -5.302   7.043
  126   HD21  LEU  17          3HD2      LEU  17   2.791  -9.131   5.079
  127   HD22  LEU  17          1HD2      LEU  17   4.137  -8.042   4.726
  128   HD23  LEU  17          2HD2      LEU  17   2.509  -7.651   4.168
  129    H    LYS  18           H        LYS  18   3.720  -8.920  10.289
  130    HA   LYS  18           HA       LYS  18   6.352  -9.982  10.582
  131    HB2  LYS  18           2HB      LYS  18   4.309  -9.093  12.657
  132    HB3  LYS  18           3HB      LYS  18   5.993  -9.479  13.018
  133    HG2  LYS  18           2HG      LYS  18   6.744  -7.633  11.567
  134    HG3  LYS  18           3HG      LYS  18   5.071  -7.252  11.160
  135    HD2  LYS  18           2HD      LYS  18   6.251  -7.106  13.963
  136    HD3  LYS  18           3HD      LYS  18   6.040  -5.724  12.889
  137    HE2  LYS  18           2HE      LYS  18   3.614  -6.050  12.905
  138    HE3  LYS  18           3HE      LYS  18   3.791  -7.480  13.925
  139    HZ1  LYS  18           3HZ      LYS  18   4.593  -4.730  14.691
  140    HZ2  LYS  18           1HZ      LYS  18   4.668  -6.097  15.674
  141    HZ3  LYS  18           2HZ      LYS  18   3.171  -5.493  15.176
  142    H    HIS  19           H        HIS  19   3.133 -11.289  11.184
  143    HA   HIS  19           HA       HIS  19   4.116 -13.744  12.443
  144    HB2  HIS  19           2HB      HIS  19   1.339 -12.696  11.807
  145    HB3  HIS  19           3HB      HIS  19   1.596 -14.336  12.383
  146    HD1  HIS  19           HD1      HIS  19   1.384 -14.587  14.823
  147    HD2  HIS  19           HD2      HIS  19   2.521 -10.728  13.809
  148    HE1  HIS  19           HE1      HIS  19   1.396 -13.301  16.968
  149    HE2  HIS  19           HE2      HIS  19   1.966 -10.942  16.315
  150    H    ASP  20           H        ASP  20   4.412 -12.845   9.428
  151    HA   ASP  20           HA       ASP  20   4.917 -13.892   7.508
  152    HB2  ASP  20           2HB      ASP  20   5.940 -15.641   8.963
  153    HB3  ASP  20           3HB      ASP  20   4.406 -16.507   8.985
  154    H    ASN  21           H        ASN  21   1.916 -13.684   8.631
  155    HA   ASN  21           HA       ASN  21   0.449 -15.131   6.575
  156    HB2  ASN  21           2HB      ASN  21  -0.504 -13.157   8.695
  157    HB3  ASN  21           3HB      ASN  21  -1.551 -14.137   7.678
  158   HD21  ASN  21          1HD2      ASN  21   0.008 -16.567   7.879
  159   HD22  ASN  21          2HD2      ASN  21  -0.209 -17.146   9.487
  160    H    ALA  22           H        ALA  22   2.068 -13.693   5.116
  161    HA   ALA  22           HA       ALA  22   1.554 -10.929   4.732
  162    HB1  ALA  22           3HB      ALA  22   2.867 -12.916   2.845
  163    HB2  ALA  22           1HB      ALA  22   3.685 -11.997   4.112
  164    HB3  ALA  22           2HB      ALA  22   2.968 -11.158   2.736
  165    H    SER  23           H        SER  23   0.275 -13.839   3.122
  166    HA   SER  23           HA       SER  23  -1.243 -12.628   1.104
  167    HB2  SER  23           2HB      SER  23  -1.815 -15.225   2.588
  168    HB3  SER  23           3HB      SER  23  -2.498 -14.761   1.029
  169    HG   SER  23           HG       SER  23   0.151 -15.456   1.682
  170    H    ARG  24           H        ARG  24  -2.106 -13.289   4.532
  171    HA   ARG  24           HA       ARG  24  -4.830 -12.398   4.317
  172    HB2  ARG  24           2HB      ARG  24  -3.023 -12.668   6.770
  173    HB3  ARG  24           3HB      ARG  24  -4.768 -12.445   6.815
  174    HG2  ARG  24           2HG      ARG  24  -3.332 -14.847   5.648
  175    HG3  ARG  24           3HG      ARG  24  -4.112 -14.782   7.227
  176    HD2  ARG  24           2HD      ARG  24  -6.295 -14.415   6.140
  177    HD3  ARG  24           3HD      ARG  24  -5.518 -14.470   4.549
  178    HE   ARG  24           HE       ARG  24  -4.916 -16.827   6.017
  179   HH11  ARG  24          1HH1      ARG  24  -7.598 -15.385   4.265
  180   HH12  ARG  24          2HH1      ARG  24  -8.334 -16.914   3.910
  181   HH21  ARG  24          1HH2      ARG  24  -5.901 -18.821   5.526
  182   HH22  ARG  24          2HH2      ARG  24  -7.379 -18.850   4.620
  183    H    ALA  25           H        ALA  25  -1.743 -10.906   5.130
  184    HA   ALA  25           HA       ALA  25  -2.629  -8.327   5.906
  185    HB1  ALA  25           3HB      ALA  25  -0.338  -9.142   6.325
  186    HB2  ALA  25           1HB      ALA  25  -0.312  -7.618   5.432
  187    HB3  ALA  25           2HB      ALA  25  -0.010  -9.145   4.593
  188    H    LEU  26           H        LEU  26  -1.876  -9.812   2.808
  189    HA   LEU  26           HA       LEU  26  -1.892  -7.518   1.135
  190    HB2  LEU  26           2HB      LEU  26  -0.933  -9.789   0.535
  191    HB3  LEU  26           3HB      LEU  26  -2.570 -10.391   0.379
  192    HG   LEU  26           HG       LEU  26  -2.919  -8.628  -1.460
  193   HD11  LEU  26          1HD1      LEU  26  -1.012  -7.166  -0.918
  194   HD12  LEU  26          2HD1      LEU  26  -0.935  -7.738  -2.582
  195   HD13  LEU  26          3HD1      LEU  26   0.113  -8.456  -1.355
  196   HD21  LEU  26          3HD2      LEU  26  -2.631 -11.007  -1.989
  197   HD22  LEU  26          1HD2      LEU  26  -0.874 -10.819  -1.964
  198   HD23  LEU  26          2HD2      LEU  26  -1.836 -10.002  -3.197
  199    H    ALA  27           H        ALA  27  -4.289  -9.941   2.001
  200    HA   ALA  27           HA       ALA  27  -6.522  -9.089   0.588
  201    HB1  ALA  27           3HB      ALA  27  -6.422 -10.465   3.293
  202    HB2  ALA  27           1HB      ALA  27  -6.362 -11.261   1.719
  203    HB3  ALA  27           2HB      ALA  27  -7.823 -10.407   2.219
  204    H    LEU  28           H        LEU  28  -5.517  -8.160   3.917
  205    HA   LEU  28           HA       LEU  28  -7.720  -6.464   4.448
  206    HB2  LEU  28           2HB      LEU  28  -4.948  -6.463   5.692
  207    HB3  LEU  28           3HB      LEU  28  -6.302  -5.514   6.294
  208    HG   LEU  28           HG       LEU  28  -6.092  -8.551   6.259
  209   HD11  LEU  28          1HD1      LEU  28  -6.238  -6.602   8.579
  210   HD12  LEU  28          2HD1      LEU  28  -4.803  -7.483   8.051
  211   HD13  LEU  28          3HD1      LEU  28  -6.181  -8.364   8.708
  212   HD21  LEU  28          3HD2      LEU  28  -8.408  -7.937   5.742
  213   HD22  LEU  28          1HD2      LEU  28  -8.454  -6.844   7.131
  214   HD23  LEU  28          2HD2      LEU  28  -8.300  -8.585   7.375
  215    H    PHE  29           H        PHE  29  -4.549  -5.797   2.995
  216    HA   PHE  29           HA       PHE  29  -4.843  -2.960   2.884
  217    HB2  PHE  29           2HB      PHE  29  -3.056  -4.866   1.329
  218    HB3  PHE  29           3HB      PHE  29  -3.009  -3.124   1.102
  219    HD1  PHE  29           HD2      PHE  29  -3.129  -2.054   3.836
  220    HD2  PHE  29           HD1      PHE  29  -1.015  -5.463   2.351
  221    HE1  PHE  29           HE2      PHE  29  -1.479  -1.832   5.653
  222    HE2  PHE  29           HE1      PHE  29   0.630  -5.230   4.165
  223    HZ   PHE  29           HZ       PHE  29   0.399  -3.421   5.820
  224    H    GLU  30           H        GLU  30  -5.493  -5.554   0.506
  225    HA   GLU  30           HA       GLU  30  -6.479  -3.968  -1.603
  226    HB2  GLU  30           2HB      GLU  30  -7.161  -6.824  -0.800
  227    HB3  GLU  30           3HB      GLU  30  -7.697  -6.092  -2.307
  228    HG2  GLU  30           2HG      GLU  30  -5.357  -5.828  -3.026
  229    HG3  GLU  30           3HG      GLU  30  -4.803  -6.524  -1.503
  230    H    GLU  31           H        GLU  31  -7.981  -5.139   1.343
  231    HA   GLU  31           HA       GLU  31 -10.691  -4.585   0.638
  232    HB2  GLU  31           2HB      GLU  31  -9.951  -6.315   2.292
  233    HB3  GLU  31           3HB      GLU  31  -9.448  -5.025   3.377
  234    HG2  GLU  31           2HG      GLU  31 -11.730  -4.280   3.652
  235    HG3  GLU  31           3HG      GLU  31 -12.292  -5.388   2.400
  236    H    LEU  32           H        LEU  32  -8.123  -2.919   2.390
  237    HA   LEU  32           HA       LEU  32  -9.448  -0.627   3.279
  238    HB2  LEU  32           2HB      LEU  32  -6.597  -1.112   2.383
  239    HB3  LEU  32           3HB      LEU  32  -7.110   0.481   2.903
  240    HG   LEU  32           HG       LEU  32  -7.342  -1.965   4.704
  241   HD11  LEU  32          1HD1      LEU  32  -5.077   0.054   4.649
  242   HD12  LEU  32          2HD1      LEU  32  -4.962  -1.625   4.118
  243   HD13  LEU  32          3HD1      LEU  32  -5.284  -1.258   5.810
  244   HD21  LEU  32          3HD2      LEU  32  -7.495  -0.308   6.497
  245   HD22  LEU  32          1HD2      LEU  32  -8.770  -0.057   5.311
  246   HD23  LEU  32          2HD2      LEU  32  -7.361   1.007   5.327
  247    H    VAL  33           H        VAL  33  -7.839  -1.267   0.156
  248    HA   VAL  33           HA       VAL  33  -8.182   1.288  -0.997
  249    HB   VAL  33           HB       VAL  33  -7.802  -1.411  -2.385
  250   HG11  VAL  33          1HG1      VAL  33  -7.436   1.376  -3.566
  251   HG12  VAL  33          2HG1      VAL  33  -8.713   0.236  -3.984
  252   HG13  VAL  33          3HG1      VAL  33  -7.038  -0.147  -4.376
  253   HG21  VAL  33          3HG2      VAL  33  -5.416  -0.755  -2.547
  254   HG22  VAL  33          1HG2      VAL  33  -5.954  -0.849  -0.868
  255   HG23  VAL  33          2HG2      VAL  33  -5.762   0.723  -1.644
  256    H    GLU  34           H        GLU  34 -10.063  -1.720  -1.509
  257    HA   GLU  34           HA       GLU  34 -11.807  -0.743  -3.455
  258    HB2  GLU  34           2HB      GLU  34 -13.228  -2.697  -3.004
  259    HB3  GLU  34           3HB      GLU  34 -11.526  -3.145  -3.037
  260    HG2  GLU  34           2HG      GLU  34 -11.492  -3.168  -0.570
  261    HG3  GLU  34           3HG      GLU  34 -13.197  -2.736  -0.543
  262    H    THR  35           H        THR  35 -12.210  -0.748   0.106
  263    HA   THR  35           HA       THR  35 -14.887   0.385  -0.032
  264    HB   THR  35           HB       THR  35 -14.769   0.402   2.441
  265    HG1  THR  35           HG1      THR  35 -12.691   0.799   2.979
  266   HG21  THR  35          3HG2      THR  35 -13.754  -2.212   1.248
  267   HG22  THR  35          1HG2      THR  35 -15.443  -1.693   1.317
  268   HG23  THR  35          2HG2      THR  35 -14.562  -2.029   2.806
  269    H    ASP  36           H        ASP  36 -11.608   1.515   0.446
  270    HA   ASP  36           HA       ASP  36 -12.402   4.322   0.666
  271    HB2  ASP  36           2HB      ASP  36 -10.736   2.908   2.808
  272    HB3  ASP  36           3HB      ASP  36 -10.848   4.656   2.664
  273    HA   PRO  37           HA       PRO  37  -8.648   3.772  -2.036
  274    HB2  PRO  37           2HB      PRO  37  -9.389   5.670  -3.879
  275    HB3  PRO  37           3HB      PRO  37  -9.939   3.991  -3.971
  276    HG2  PRO  37           2HG      PRO  37 -11.367   6.395  -2.828
  277    HG3  PRO  37           3HG      PRO  37 -11.996   5.138  -3.916
  278    HD2  PRO  37           2HD      PRO  37 -12.483   5.084  -1.255
  279    HD3  PRO  37           3HD      PRO  37 -12.247   3.583  -2.180
  280    H    ASP  38           H        ASP  38 -10.172   6.245  -0.248
  281    HA   ASP  38           HA       ASP  38  -8.153   8.302  -0.538
  282    HB2  ASP  38           2HB      ASP  38 -10.515   8.178   1.400
  283    HB3  ASP  38           3HB      ASP  38  -9.618   9.615   0.906
  284    H    TYR  39           H        TYR  39  -7.531   5.541   0.743
  285    HA   TYR  39           HA       TYR  39  -6.443   6.541   3.321
  286    HB2  TYR  39           2HB      TYR  39  -8.072   4.461   3.356
  287    HB3  TYR  39           3HB      TYR  39  -6.728   3.574   2.653
  288    HD1  TYR  39           HD2      TYR  39  -4.579   3.302   3.997
  289    HD2  TYR  39           HD1      TYR  39  -8.070   5.067   5.719
  290    HE1  TYR  39           HE2      TYR  39  -3.633   2.980   6.235
  291    HE2  TYR  39           HE1      TYR  39  -7.106   4.754   7.957
  292    HH   TYR  39           HH       TYR  39  -3.868   3.931   8.476
  293    H    VAL  40           H        VAL  40  -4.548   7.352   2.577
  294    HA   VAL  40           HA       VAL  40  -3.205   6.420   0.237
  295    HB   VAL  40           HB       VAL  40  -2.249   8.408   2.355
  296   HG11  VAL  40          1HG1      VAL  40  -0.394   7.642   0.963
  297   HG12  VAL  40          2HG1      VAL  40  -0.794   9.309   0.559
  298   HG13  VAL  40          3HG1      VAL  40  -1.307   7.999  -0.505
  299   HG21  VAL  40          3HG2      VAL  40  -3.133  10.170   0.870
  300   HG22  VAL  40          1HG2      VAL  40  -4.421   9.076   1.381
  301   HG23  VAL  40          2HG2      VAL  40  -3.742   8.943  -0.245
  302    H    GLY  41           H        GLY  41  -2.743   5.947   3.684
  303    HA2  GLY  41           2HA      GLY  41  -0.084   5.021   3.780
  304    HA3  GLY  41           3HA      GLY  41  -1.338   4.667   4.958
  305    H    THR  42           H        THR  42  -3.079   3.363   2.954
  306    HA   THR  42           HA       THR  42  -2.339   0.694   3.101
  307    HB   THR  42           HB       THR  42  -4.089   1.997   0.965
  308    HG1  THR  42           HG1      THR  42  -5.723   1.774   2.400
  309   HG21  THR  42          3HG2      THR  42  -5.186  -0.233   0.872
  310   HG22  THR  42          1HG2      THR  42  -3.957  -0.871   1.967
  311   HG23  THR  42          2HG2      THR  42  -3.501  -0.306   0.357
  312    H    TYR  43           H        TYR  43  -2.095   2.892   0.293
  313    HA   TYR  43           HA       TYR  43  -1.360   0.990  -1.602
  314    HB2  TYR  43           2HB      TYR  43  -0.860   3.989  -1.603
  315    HB3  TYR  43           3HB      TYR  43  -0.646   2.954  -3.014
  316    HD1  TYR  43           HD1      TYR  43  -2.600   1.941  -4.151
  317    HD2  TYR  43           HD2      TYR  43  -3.133   4.576  -0.823
  318    HE1  TYR  43           HE1      TYR  43  -4.965   2.206  -4.736
  319    HE2  TYR  43           HE2      TYR  43  -5.501   4.831  -1.427
  320    HH   TYR  43           HH       TYR  43  -6.897   4.628  -3.406
  321    H    TYR  44           H        TYR  44   0.728   3.197   0.241
  322    HA   TYR  44           HA       TYR  44   3.195   2.522  -0.668
  323    HB2  TYR  44           2HB      TYR  44   2.539   4.282   1.058
  324    HB3  TYR  44           3HB      TYR  44   2.546   3.001   2.268
  325    HD1  TYR  44           HD2      TYR  44   4.744   4.523  -0.373
  326    HD2  TYR  44           HD1      TYR  44   4.583   2.588   3.441
  327    HE1  TYR  44           HE2      TYR  44   7.156   4.850  -0.097
  328    HE2  TYR  44           HE1      TYR  44   7.003   2.915   3.702
  329    HH   TYR  44           HH       TYR  44   8.809   4.971   1.693
  330    H    HIS  45           H        HIS  45   1.629   1.006   2.127
  331    HA   HIS  45           HA       HIS  45   3.637  -1.007   2.500
  332    HB2  HIS  45           2HB      HIS  45   0.869  -0.683   3.729
  333    HB3  HIS  45           3HB      HIS  45   2.022  -1.926   4.225
  334    HD1  HIS  45           HD1      HIS  45   3.630  -1.260   6.004
  335    HD2  HIS  45           HD2      HIS  45   1.998   2.045   4.091
  336    HE1  HIS  45           HE1      HIS  45   4.490   0.743   7.258
  337    HE2  HIS  45           HE2      HIS  45   3.428   2.723   6.130
  338    H    LEU  46           H        LEU  46   0.655  -0.960   0.745
  339    HA   LEU  46           HA       LEU  46   0.326  -3.769   0.322
  340    HB2  LEU  46           2HB      LEU  46  -1.579  -2.263   0.181
  341    HB3  LEU  46           3HB      LEU  46  -0.804  -1.314  -1.073
  342    HG   LEU  46           HG       LEU  46  -1.088  -3.147  -2.692
  343   HD11  LEU  46          1HD1      LEU  46  -0.883  -5.086  -1.194
  344   HD12  LEU  46          2HD1      LEU  46  -2.333  -5.183  -2.190
  345   HD13  LEU  46          3HD1      LEU  46  -2.463  -4.721  -0.493
  346   HD21  LEU  46          3HD2      LEU  46  -3.682  -2.521  -1.238
  347   HD22  LEU  46          1HD2      LEU  46  -3.536  -3.101  -2.900
  348   HD23  LEU  46          2HD2      LEU  46  -2.912  -1.513  -2.467
  349    H    GLY  47           H        GLY  47   1.812  -1.086  -1.453
  350    HA2  GLY  47           2HA      GLY  47   2.546  -2.541  -3.806
  351    HA3  GLY  47           3HA      GLY  47   3.119  -0.952  -3.328
  352    H    LYS  48           H        LYS  48   4.187  -1.660  -0.794
  353    HA   LYS  48           HA       LYS  48   6.768  -2.623  -1.392
  354    HB2  LYS  48           2HB      LYS  48   5.310  -2.332   1.266
  355    HB3  LYS  48           3HB      LYS  48   6.984  -2.882   1.166
  356    HG2  LYS  48           2HG      LYS  48   5.944  -0.201   0.198
  357    HG3  LYS  48           3HG      LYS  48   6.833  -0.483   1.699
  358    HD2  LYS  48           2HD      LYS  48   8.785  -1.282   0.318
  359    HD3  LYS  48           3HD      LYS  48   7.888  -0.858  -1.143
  360    HE2  LYS  48           2HE      LYS  48   9.462   0.917  -0.605
  361    HE3  LYS  48           3HE      LYS  48   7.817   1.513  -0.370
  362    HZ1  LYS  48           3HZ      LYS  48   8.071   1.111   2.008
  363    HZ2  LYS  48           1HZ      LYS  48   9.267   2.165   1.431
  364    HZ3  LYS  48           2HZ      LYS  48   9.644   0.553   1.757
  365    H    LEU  49           H        LEU  49   3.881  -4.187  -0.134
  366    HA   LEU  49           HA       LEU  49   5.032  -6.753   0.333
  367    HB2  LEU  49           2HB      LEU  49   2.982  -5.961   1.442
  368    HB3  LEU  49           3HB      LEU  49   2.137  -5.943  -0.096
  369    HG   LEU  49           HG       LEU  49   2.135  -8.369  -0.221
  370   HD11  LEU  49          1HD1      LEU  49   4.371  -8.878   0.638
  371   HD12  LEU  49          2HD1      LEU  49   3.160  -9.812   1.511
  372   HD13  LEU  49          3HD1      LEU  49   3.888  -8.395   2.268
  373   HD21  LEU  49          3HD2      LEU  49   0.821  -8.941   1.787
  374   HD22  LEU  49          1HD2      LEU  49   0.374  -7.350   1.175
  375   HD23  LEU  49          2HD2      LEU  49   1.406  -7.489   2.601
  376    H    TYR  50           H        TYR  50   3.343  -5.292  -2.463
  377    HA   TYR  50           HA       TYR  50   3.349  -7.513  -4.175
  378    HB2  TYR  50           2HB      TYR  50   3.461  -4.547  -4.750
  379    HB3  TYR  50           3HB      TYR  50   3.471  -5.723  -6.057
  380    HD1  TYR  50           HD1      TYR  50   1.528  -7.739  -5.222
  381    HD2  TYR  50           HD2      TYR  50   1.348  -3.490  -4.809
  382    HE1  TYR  50           HE1      TYR  50  -0.920  -7.833  -5.237
  383    HE2  TYR  50           HE2      TYR  50  -1.100  -3.602  -4.813
  384    HH   TYR  50           HH       TYR  50  -2.870  -4.997  -5.491
  385    H    GLU  51           H        GLU  51   5.898  -5.038  -3.712
  386    HA   GLU  51           HA       GLU  51   7.790  -5.910  -5.567
  387    HB2  GLU  51           2HB      GLU  51   8.200  -4.694  -2.805
  388    HB3  GLU  51           3HB      GLU  51   9.520  -4.968  -3.938
  389    HG2  GLU  51           2HG      GLU  51   8.418  -3.425  -5.554
  390    HG3  GLU  51           3HG      GLU  51   7.160  -3.109  -4.354
  391    H    ARG  52           H        ARG  52   7.180  -7.031  -2.269
  392    HA   ARG  52           HA       ARG  52   9.229  -8.963  -2.011
  393    HB2  ARG  52           2HB      ARG  52   6.486  -8.766  -0.711
  394    HB3  ARG  52           3HB      ARG  52   7.712  -9.933  -0.228
  395    HG2  ARG  52           2HG      ARG  52   9.195  -8.155   0.507
  396    HG3  ARG  52           3HG      ARG  52   8.076  -6.928  -0.094
  397    HD2  ARG  52           2HD      ARG  52   7.965  -7.284   2.389
  398    HD3  ARG  52           3HD      ARG  52   6.420  -7.522   1.559
  399    HE   ARG  52           HE       ARG  52   7.514 -10.031   1.661
  400   HH11  ARG  52          1HH1      ARG  52   6.822  -7.648   4.152
  401   HH12  ARG  52          2HH1      ARG  52   6.498  -8.848   5.360
  402   HH21  ARG  52          1HH2      ARG  52   7.059 -11.569   3.235
  403   HH22  ARG  52          2HH2      ARG  52   6.626 -11.073   4.840
  404    H    LEU  53           H        LEU  53   5.868  -9.210  -3.175
  405    HA   LEU  53           HA       LEU  53   5.935 -12.088  -3.482
  406    HB2  LEU  53           2HB      LEU  53   3.842 -10.033  -4.273
  407    HB3  LEU  53           3HB      LEU  53   3.602 -11.773  -4.342
  408    HG   LEU  53           HG       LEU  53   4.061 -10.151  -1.805
  409   HD11  LEU  53          1HD1      LEU  53   1.514 -11.430  -2.837
  410   HD12  LEU  53          2HD1      LEU  53   1.859  -9.701  -2.753
  411   HD13  LEU  53          3HD1      LEU  53   1.716 -10.639  -1.269
  412   HD21  LEU  53          3HD2      LEU  53   4.977 -12.412  -1.552
  413   HD22  LEU  53          1HD2      LEU  53   3.452 -13.114  -2.103
  414   HD23  LEU  53          2HD2      LEU  53   3.521 -12.224  -0.578
  415    H    ASP  54           H        ASP  54   7.610 -10.105  -5.295
  416    HA   ASP  54           HA       ASP  54   8.373  -9.916  -7.418
  417    HB2  ASP  54           2HB      ASP  54   8.681 -12.382  -7.151
  418    HB3  ASP  54           3HB      ASP  54   7.068 -12.649  -7.799
  419    H    ARG  55           H        ARG  55   5.537  -9.158  -6.672
  420    HA   ARG  55           HA       ARG  55   4.295  -8.804  -9.323
  421    HB2  ARG  55           2HB      ARG  55   3.196  -8.242  -6.520
  422    HB3  ARG  55           3HB      ARG  55   2.289  -8.103  -8.023
  423    HG2  ARG  55           2HG      ARG  55   3.375 -10.666  -6.805
  424    HG3  ARG  55           3HG      ARG  55   1.685 -10.148  -6.827
  425    HD2  ARG  55           2HD      ARG  55   3.380 -10.861  -9.250
  426    HD3  ARG  55           3HD      ARG  55   2.098 -11.848  -8.548
  427    HE   ARG  55           HE       ARG  55   1.343  -9.175  -9.427
  428   HH11  ARG  55          1HH1      ARG  55   1.346 -12.599 -10.208
  429   HH12  ARG  55          2HH1      ARG  55   0.197 -12.411 -11.494
  430   HH21  ARG  55          1HH2      ARG  55  -0.144  -8.942 -11.080
  431   HH22  ARG  55          2HH2      ARG  55  -0.660 -10.334 -11.982
  432    H    THR  56           H        THR  56   6.639  -7.468  -8.966
  433    HA   THR  56           HA       THR  56   6.538  -4.990  -7.610
  434    HB   THR  56           HB       THR  56   8.437  -5.776  -9.855
  435    HG1  THR  56           HG1      THR  56   8.968  -7.333  -8.528
  436   HG21  THR  56          3HG2      THR  56   8.827  -3.937  -7.460
  437   HG22  THR  56          1HG2      THR  56   8.645  -3.406  -9.133
  438   HG23  THR  56          2HG2      THR  56  10.061  -4.342  -8.652
  439    H    ASP  57           H        ASP  57   5.769  -5.918 -10.936
  440    HA   ASP  57           HA       ASP  57   5.437  -3.344 -12.087
  441    HB2  ASP  57           2HB      ASP  57   5.567  -5.402 -13.451
  442    HB3  ASP  57           3HB      ASP  57   4.074  -5.996 -12.741
  443    H    ASP  58           H        ASP  58   3.221  -5.537 -10.405
  444    HA   ASP  58           HA       ASP  58   0.860  -3.968 -10.484
  445    HB2  ASP  58           2HB      ASP  58   1.692  -5.981  -8.333
  446    HB3  ASP  58           3HB      ASP  58   0.058  -5.362  -8.579
  447    H    ALA  59           H        ALA  59   3.637  -3.995  -8.314
  448    HA   ALA  59           HA       ALA  59   2.736  -2.266  -6.286
  449    HB1  ALA  59           3HB      ALA  59   4.791  -3.633  -6.067
  450    HB2  ALA  59           1HB      ALA  59   5.111  -1.928  -5.741
  451    HB3  ALA  59           2HB      ALA  59   5.586  -2.639  -7.286
  452    H    ILE  60           H        ILE  60   4.443  -1.623  -9.362
  453    HA   ILE  60           HA       ILE  60   4.843   1.134  -9.200
  454    HB   ILE  60           HB       ILE  60   4.134  -0.386 -11.763
  455   HG12  ILE  60          2HG1      ILE  60   5.993  -1.552 -10.673
  456   HG13  ILE  60          3HG1      ILE  60   6.600  -0.706 -12.085
  457   HG21  ILE  60          1HG2      ILE  60   5.459   1.351 -12.932
  458   HG22  ILE  60          2HG2      ILE  60   5.709   2.188 -11.401
  459   HG23  ILE  60          3HG2      ILE  60   4.085   2.045 -12.070
  460   HD11  ILE  60          3HD1      ILE  60   6.898   0.171  -9.216
  461   HD12  ILE  60          1HD1      ILE  60   7.492   1.048 -10.628
  462   HD13  ILE  60          2HD1      ILE  60   8.142  -0.542 -10.241
  463    H    ASP  61           H        ASP  61   2.042  -0.695 -10.299
  464    HA   ASP  61           HA       ASP  61   0.425   1.519 -11.139
  465    HB2  ASP  61           2HB      ASP  61   0.262  -0.865 -12.007
  466    HB3  ASP  61           3HB      ASP  61  -0.450  -1.328 -10.468
  467    H    THR  62           H        THR  62   0.757  -0.321  -8.130
  468    HA   THR  62           HA       THR  62  -1.585   0.641  -6.797
  469    HB   THR  62           HB       THR  62   0.975  -0.545  -5.636
  470    HG1  THR  62           HG1      THR  62  -0.574  -1.729  -7.194
  471   HG21  THR  62          3HG2      THR  62  -0.350  -1.124  -3.652
  472   HG22  THR  62          1HG2      THR  62  -1.771  -0.343  -4.340
  473   HG23  THR  62          2HG2      THR  62  -0.367   0.626  -3.890
  474    H    TYR  63           H        TYR  63   1.834   1.534  -6.655
  475    HA   TYR  63           HA       TYR  63   1.642   3.748  -4.940
  476    HB2  TYR  63           2HB      TYR  63   3.659   3.178  -7.151
  477    HB3  TYR  63           3HB      TYR  63   3.828   4.471  -5.964
  478    HD1  TYR  63           HD1      TYR  63   3.105   3.230  -3.425
  479    HD2  TYR  63           HD2      TYR  63   5.325   1.560  -6.663
  480    HE1  TYR  63           HE1      TYR  63   4.247   1.721  -1.875
  481    HE2  TYR  63           HE2      TYR  63   6.459   0.048  -5.101
  482    HH   TYR  63           HH       TYR  63   6.948  -0.170  -2.833
  483    H    ALA  64           H        ALA  64   1.318   3.456  -8.486
  484    HA   ALA  64           HA       ALA  64   1.077   6.158  -9.177
  485    HB1  ALA  64           3HB      ALA  64   1.403   4.358 -10.825
  486    HB2  ALA  64           1HB      ALA  64   0.009   5.360 -11.246
  487    HB3  ALA  64           2HB      ALA  64  -0.230   3.773 -10.511
  488    H    GLN  65           H        GLN  65  -1.504   3.805  -8.400
  489    HA   GLN  65           HA       GLN  65  -3.738   5.496  -8.401
  490    HB2  GLN  65           2HB      GLN  65  -3.085   2.982  -6.832
  491    HB3  GLN  65           3HB      GLN  65  -4.618   3.809  -6.593
  492    HG2  GLN  65           2HG      GLN  65  -3.794   2.961  -9.360
  493    HG3  GLN  65           3HG      GLN  65  -4.452   1.773  -8.240
  494   HE21  GLN  65          1HE2      GLN  65  -5.567   5.168  -8.419
  495   HE22  GLN  65          2HE2      GLN  65  -7.147   4.778  -8.983
  496    H    GLY  66           H        GLY  66  -1.454   4.699  -5.874
  497    HA2  GLY  66           2HA      GLY  66  -2.499   6.114  -3.714
  498    HA3  GLY  66           3HA      GLY  66  -0.816   5.663  -3.930
  499    H    ILE  67           H        ILE  67  -0.277   7.191  -6.261
  500    HA   ILE  67           HA       ILE  67   0.617   9.618  -5.201
  501    HB   ILE  67           HB       ILE  67   0.264   8.642  -8.063
  502   HG12  ILE  67          2HG1      ILE  67   2.828   9.133  -6.472
  503   HG13  ILE  67          3HG1      ILE  67   2.020   7.575  -6.563
  504   HG21  ILE  67          1HG2      ILE  67   0.108  11.103  -8.161
  505   HG22  ILE  67          2HG2      ILE  67   1.597  10.528  -8.911
  506   HG23  ILE  67          3HG2      ILE  67   1.641  11.239  -7.298
  507   HD11  ILE  67          3HD1      ILE  67   3.905   7.682  -8.060
  508   HD12  ILE  67          1HD1      ILE  67   3.226   9.088  -8.877
  509   HD13  ILE  67          2HD1      ILE  67   2.412   7.521  -8.981
  510    H    GLU  68           H        GLU  68  -2.229   8.847  -7.116
  511    HA   GLU  68           HA       GLU  68  -3.188  11.446  -7.651
  512    HB2  GLU  68           2HB      GLU  68  -4.769   8.845  -7.394
  513    HB3  GLU  68           3HB      GLU  68  -5.298  10.304  -8.235
  514    HG2  GLU  68           2HG      GLU  68  -3.519  10.024  -9.893
  515    HG3  GLU  68           3HG      GLU  68  -2.901   8.620  -9.026
  516    H    VAL  69           H        VAL  69  -3.941   9.098  -5.086
  517    HA   VAL  69           HA       VAL  69  -5.793  10.896  -3.724
  518    HB   VAL  69           HB       VAL  69  -6.162   9.113  -2.101
  519   HG11  VAL  69          1HG1      VAL  69  -6.129   8.039  -4.945
  520   HG12  VAL  69          2HG1      VAL  69  -7.419   8.990  -4.201
  521   HG13  VAL  69          3HG1      VAL  69  -7.066   7.364  -3.611
  522   HG21  VAL  69          3HG2      VAL  69  -3.875   8.222  -1.880
  523   HG22  VAL  69          1HG2      VAL  69  -3.967   7.547  -3.512
  524   HG23  VAL  69          2HG2      VAL  69  -5.014   6.924  -2.236
  525    H    ALA  70           H        ALA  70  -2.423  10.319  -3.613
  526    HA   ALA  70           HA       ALA  70  -1.884  10.850  -0.838
  527    HB1  ALA  70           3HB      ALA  70  -0.019  11.033  -3.231
  528    HB2  ALA  70           1HB      ALA  70  -0.284   9.608  -2.226
  529    HB3  ALA  70           2HB      ALA  70   0.472  11.041  -1.534
  530    H    ARG  71           H        ARG  71  -1.710  12.730  -3.815
  531    HA   ARG  71           HA       ARG  71  -0.831  15.157  -2.601
  532    HB2  ARG  71           2HB      ARG  71  -1.165  16.139  -4.801
  533    HB3  ARG  71           3HB      ARG  71  -0.396  14.565  -4.954
  534    HG2  ARG  71           2HG      ARG  71  -2.693  13.623  -5.511
  535    HG3  ARG  71           3HG      ARG  71  -3.272  15.290  -5.585
  536    HD2  ARG  71           2HD      ARG  71  -1.238  13.929  -7.368
  537    HD3  ARG  71           3HD      ARG  71  -2.777  14.657  -7.825
  538    HE   ARG  71           HE       ARG  71  -1.785  16.845  -7.302
  539   HH11  ARG  71          1HH1      ARG  71   0.388  14.195  -8.026
  540   HH12  ARG  71          2HH1      ARG  71   1.709  15.236  -8.434
  541   HH21  ARG  71          1HH2      ARG  71  -0.023  18.187  -7.815
  542   HH22  ARG  71          2HH2      ARG  71   1.482  17.484  -8.314
  543    H    GLU  72           H        GLU  72  -3.998  13.749  -3.145
  544    HA   GLU  72           HA       GLU  72  -5.417  16.267  -2.679
  545    HB2  GLU  72           2HB      GLU  72  -6.455  13.447  -3.191
  546    HB3  GLU  72           3HB      GLU  72  -7.467  14.887  -3.058
  547    HG2  GLU  72           2HG      GLU  72  -6.323  15.851  -5.046
  548    HG3  GLU  72           3HG      GLU  72  -5.356  14.386  -5.185
  549    H    GLU  73           H        GLU  73  -5.353  13.034  -1.154
  550    HA   GLU  73           HA       GLU  73  -6.841  13.951   1.163
  551    HB2  GLU  73           2HB      GLU  73  -5.827  11.168   0.446
  552    HB3  GLU  73           3HB      GLU  73  -6.890  11.541   1.805
  553    HG2  GLU  73           2HG      GLU  73  -7.554  11.945  -1.133
  554    HG3  GLU  73           3HG      GLU  73  -8.128  10.621  -0.119
  555    H    GLY  74           H        GLY  74  -3.601  12.446   0.566
  556    HA2  GLY  74           2HA      GLY  74  -2.883  12.692   3.388
  557    HA3  GLY  74           3HA      GLY  74  -1.903  12.006   2.095
  558    H    THR  75           H        THR  75  -0.190  13.314   3.166
  559    HA   THR  75           HA       THR  75  -0.249  16.179   2.455
  560    HB   THR  75           HB       THR  75   1.794  16.375   3.859
  561    HG1  THR  75           HG1      THR  75   1.439  13.569   4.134
  562   HG21  THR  75          3HG2      THR  75  -0.434  14.890   5.314
  563   HG22  THR  75          1HG2      THR  75  -0.402  16.629   4.989
  564   HG23  THR  75          2HG2      THR  75   0.798  15.908   6.062
  565    H    GLN  76           H        GLN  76   2.069  16.985   1.791
  566    HA   GLN  76           HA       GLN  76   2.798  16.056  -0.741
  567    HB2  GLN  76           2HB      GLN  76   3.269  18.334  -0.026
  568    HB3  GLN  76           3HB      GLN  76   4.305  17.772   1.278
  569    HG2  GLN  76           2HG      GLN  76   5.629  18.687  -0.563
  570    HG3  GLN  76           3HG      GLN  76   5.963  16.970  -0.346
  571   HE21  GLN  76          1HE2      GLN  76   6.671  16.578  -2.420
  572   HE22  GLN  76          2HE2      GLN  76   5.667  16.685  -3.822
  573    H    LYS  77           H        LYS  77   3.900  15.051   2.445
  574    HA   LYS  77           HA       LYS  77   6.313  13.778   1.747
  575    HB2  LYS  77           2HB      LYS  77   6.369  12.867   3.909
  576    HB3  LYS  77           3HB      LYS  77   5.317  14.246   4.151
  577    HG2  LYS  77           2HG      LYS  77   3.358  12.783   4.065
  578    HG3  LYS  77           3HG      LYS  77   4.388  11.398   3.742
  579    HD2  LYS  77           2HD      LYS  77   5.437  11.658   5.966
  580    HD3  LYS  77           3HD      LYS  77   4.378  13.036   6.302
  581    HE2  LYS  77           2HE      LYS  77   3.568  10.889   7.316
  582    HE3  LYS  77           3HE      LYS  77   2.408  11.605   6.195
  583    HZ1  LYS  77           3HZ      LYS  77   3.030  10.038   4.524
  584    HZ2  LYS  77           1HZ      LYS  77   2.698   9.180   5.938
  585    HZ3  LYS  77           2HZ      LYS  77   4.299   9.435   5.459
  586    H    ASP  78           H        ASP  78   2.952  12.650   1.773
  587    HA   ASP  78           HA       ASP  78   3.474   9.886   1.295
  588    HB2  ASP  78           2HB      ASP  78   0.923  11.522   0.915
  589    HB3  ASP  78           3HB      ASP  78   1.003   9.764   0.816
  590    H    LEU  79           H        LEU  79   2.605  12.654  -0.717
  591    HA   LEU  79           HA       LEU  79   2.381  11.414  -3.216
  592    HB2  LEU  79           2HB      LEU  79   1.728  13.752  -2.831
  593    HB3  LEU  79           3HB      LEU  79   3.392  14.199  -2.495
  594    HG   LEU  79           HG       LEU  79   3.994  13.737  -4.878
  595   HD11  LEU  79          1HD1      LEU  79   1.033  13.196  -5.263
  596   HD12  LEU  79          2HD1      LEU  79   2.346  12.021  -5.408
  597   HD13  LEU  79          3HD1      LEU  79   2.230  13.352  -6.555
  598   HD21  LEU  79          3HD2      LEU  79   1.667  15.676  -4.587
  599   HD22  LEU  79          1HD2      LEU  79   2.874  15.684  -5.876
  600   HD23  LEU  79          2HD2      LEU  79   3.359  16.028  -4.218
  601    H    SER  80           H        SER  80   5.219  12.699  -1.512
  602    HA   SER  80           HA       SER  80   7.120  12.197  -3.569
  603    HB2  SER  80           2HB      SER  80   7.342  13.928  -1.752
  604    HB3  SER  80           3HB      SER  80   7.602  12.625  -0.589
  605    HG   SER  80           HG       SER  80   9.398  12.013  -2.076
  606    H    GLU  81           H        GLU  81   5.970  10.320  -0.774
  607    HA   GLU  81           HA       GLU  81   8.100   8.414  -0.688
  608    HB2  GLU  81           2HB      GLU  81   5.307   8.370   0.521
  609    HB3  GLU  81           3HB      GLU  81   6.486   7.090   0.788
  610    HG2  GLU  81           2HG      GLU  81   8.012   8.710   1.851
  611    HG3  GLU  81           3HG      GLU  81   6.840   9.997   1.584
  612    H    LEU  82           H        LEU  82   4.867   8.442  -2.112
  613    HA   LEU  82           HA       LEU  82   4.927   5.717  -3.016
  614    HB2  LEU  82           2HB      LEU  82   3.117   8.053  -3.718
  615    HB3  LEU  82           3HB      LEU  82   2.843   6.402  -4.266
  616    HG   LEU  82           HG       LEU  82   3.010   7.127  -1.308
  617   HD11  LEU  82          1HD1      LEU  82   0.588   7.090  -1.197
  618   HD12  LEU  82          2HD1      LEU  82   0.488   6.874  -2.943
  619   HD13  LEU  82          3HD1      LEU  82   1.144   8.368  -2.275
  620   HD21  LEU  82          3HD2      LEU  82   1.882   4.978  -0.966
  621   HD22  LEU  82          1HD2      LEU  82   3.410   4.764  -1.818
  622   HD23  LEU  82          2HD2      LEU  82   1.885   4.678  -2.705
  623    H    GLN  83           H        GLN  83   5.607   8.855  -4.525
  624    HA   GLN  83           HA       GLN  83   6.090   7.923  -7.169
  625    HB2  GLN  83           2HB      GLN  83   7.006  10.418  -5.680
  626    HB3  GLN  83           3HB      GLN  83   7.460  10.109  -7.355
  627    HG2  GLN  83           2HG      GLN  83   5.103  10.100  -8.022
  628    HG3  GLN  83           3HG      GLN  83   4.608  10.345  -6.350
  629   HE21  GLN  83          1HE2      GLN  83   6.592  12.326  -5.695
  630   HE22  GLN  83          2HE2      GLN  83   6.178  13.768  -6.549
  631    H    ASP  84           H        ASP  84   8.161   8.378  -4.328
  632    HA   ASP  84           HA       ASP  84  10.655   7.758  -5.534
  633    HB2  ASP  84           2HB      ASP  84  10.494   8.986  -3.399
  634    HB3  ASP  84           3HB      ASP  84   9.770   7.584  -2.620
  635    H    ALA  85           H        ALA  85   8.244   5.809  -3.796
  636    HA   ALA  85           HA       ALA  85   9.782   3.471  -3.488
  637    HB1  ALA  85           3HB      ALA  85   6.761   3.756  -3.471
  638    HB2  ALA  85           1HB      ALA  85   7.824   4.018  -2.086
  639    HB3  ALA  85           2HB      ALA  85   7.689   2.412  -2.802
  640    H    LYS  86           H        LYS  86   7.382   4.428  -5.962
  641    HA   LYS  86           HA       LYS  86   7.569   1.978  -7.390
  642    HB2  LYS  86           2HB      LYS  86   6.417   3.095  -9.262
  643    HB3  LYS  86           3HB      LYS  86   5.601   3.302  -7.724
  644    HG2  LYS  86           2HG      LYS  86   6.271   5.596  -7.559
  645    HG3  LYS  86           3HG      LYS  86   7.373   5.440  -8.932
  646    HD2  LYS  86           2HD      LYS  86   4.345   5.126  -9.084
  647    HD3  LYS  86           3HD      LYS  86   5.228   6.598  -9.505
  648    HE2  LYS  86           2HE      LYS  86   6.375   5.460 -11.310
  649    HE3  LYS  86           3HE      LYS  86   5.678   3.909 -10.847
  650    HZ1  LYS  86           3HZ      LYS  86   4.208   6.259 -11.880
  651    HZ2  LYS  86           1HZ      LYS  86   3.485   4.818 -11.374
  652    HZ3  LYS  86           2HZ      LYS  86   4.517   4.824 -12.711
  653    H    LEU  87           H        LEU  87   9.390   5.094  -7.814
  654    HA   LEU  87           HA       LEU  87  10.427   4.295 -10.355
  655    HB2  LEU  87           2HB      LEU  87  11.988   6.213 -10.212
  656    HB3  LEU  87           3HB      LEU  87  10.309   6.630  -9.962
  657    HG   LEU  87           HG       LEU  87  10.870   6.683  -7.426
  658   HD11  LEU  87          1HD1      LEU  87  13.714   6.840  -8.471
  659   HD12  LEU  87          2HD1      LEU  87  13.049   5.589  -7.418
  660   HD13  LEU  87          3HD1      LEU  87  13.198   7.243  -6.830
  661   HD21  LEU  87          3HD2      LEU  87  10.385   8.692  -8.736
  662   HD22  LEU  87          1HD2      LEU  87  12.068   8.785  -9.263
  663   HD23  LEU  87          2HD2      LEU  87  11.655   9.007  -7.561
  664    H    LYS  88           H        LYS  88  11.682   3.924  -7.069
  665    HA   LYS  88           HA       LYS  88  14.160   2.723  -7.851
  666    HB2  LYS  88           2HB      LYS  88  14.378   2.006  -5.523
  667    HB3  LYS  88           3HB      LYS  88  13.820   3.675  -5.583
  668    HG2  LYS  88           2HG      LYS  88  11.601   3.058  -4.962
  669    HG3  LYS  88           3HG      LYS  88  11.927   1.345  -5.217
  670    HD2  LYS  88           2HD      LYS  88  13.578   1.466  -3.286
  671    HD3  LYS  88           3HD      LYS  88  12.989   3.107  -2.975
  672    HE2  LYS  88           2HE      LYS  88  11.882   1.331  -1.562
  673    HE3  LYS  88           3HE      LYS  88  10.757   2.292  -2.521
  674    HZ1  LYS  88           3HZ      LYS  88  10.318  -0.142  -2.557
  675    HZ2  LYS  88           1HZ      LYS  88  11.781  -0.363  -3.375
  676    HZ3  LYS  88           2HZ      LYS  88  10.534   0.531  -4.090
  677    H    ALA  89           H        ALA  89  10.888   1.420  -7.181
  678    HA   ALA  89           HA       ALA  89  11.511  -1.322  -7.439
  679    HB1  ALA  89           3HB      ALA  89   9.074  -1.638  -7.649
  680    HB2  ALA  89           1HB      ALA  89   8.866   0.097  -7.892
  681    HB3  ALA  89           2HB      ALA  89   9.463  -0.513  -6.348
  682    H    GLU  90           H        GLU  90  10.842   1.156  -9.868
  683    HA   GLU  90           HA       GLU  90  10.657  -0.508 -12.149
  684    HB2  GLU  90           2HB      GLU  90  11.830   2.303 -11.982
  685    HB3  GLU  90           3HB      GLU  90  11.307   1.491 -13.460
  686    HG2  GLU  90           2HG      GLU  90   8.986   1.424 -12.567
  687    HG3  GLU  90           3HG      GLU  90   9.527   2.298 -11.140
  688    H    GLY  91           H        GLY  91  13.385   0.646 -10.266
  689    HA2  GLY  91           2HA      GLY  91  15.527  -0.228 -11.910
  690    HA3  GLY  91           3HA      GLY  91  15.598   0.058 -10.177
  691    H    LEU  92           H        LEU  92  13.423  -1.892  -9.646
  692    HA   LEU  92           HA       LEU  92  14.920  -4.356  -9.525
  693    HB2  LEU  92           2HB      LEU  92  11.962  -3.930  -8.955
  694    HB3  LEU  92           3HB      LEU  92  12.939  -5.297  -8.438
  695    HG   LEU  92           HG       LEU  92  13.220  -2.430  -7.448
  696   HD11  LEU  92          1HD1      LEU  92  12.359  -3.279  -5.307
  697   HD12  LEU  92          2HD1      LEU  92  12.129  -4.877  -6.022
  698   HD13  LEU  92          3HD1      LEU  92  11.188  -3.504  -6.606
  699   HD21  LEU  92          3HD2      LEU  92  14.750  -4.916  -6.593
  700   HD22  LEU  92          1HD2      LEU  92  14.826  -3.342  -5.793
  701   HD23  LEU  92          2HD2      LEU  92  15.410  -3.517  -7.446
  702    H    GLU  93           H        GLU  93  12.395  -2.984 -11.546
  703    HA   GLU  93           HA       GLU  93  11.622  -5.357 -12.906
  704    HB2  GLU  93           2HB      GLU  93  11.216  -2.408 -13.554
  705    HB3  GLU  93           3HB      GLU  93  10.568  -3.700 -14.561
  706    HG2  GLU  93           2HG      GLU  93   9.907  -3.303 -11.624
  707    HG3  GLU  93           3HG      GLU  93   8.900  -2.767 -12.969
  708    H    HIS  94           H        HIS  94  13.410  -2.526 -14.243
  709    HA   HIS  94           HA       HIS  94  15.459  -4.136 -15.436
  710    HB2  HIS  94           2HB      HIS  94  13.491  -4.554 -17.002
  711    HB3  HIS  94           3HB      HIS  94  13.498  -2.840 -17.395
  712    HD1  HIS  94           HD1      HIS  94  15.816  -5.852 -17.575
  713    HD2  HIS  94           HD2      HIS  94  15.119  -2.256 -19.529
  714    HE1  HIS  94           HE1      HIS  94  17.317  -5.871 -19.582
  715    HE2  HIS  94           HE2      HIS  94  16.654  -3.831 -20.874
  716    H    HIS  95           H        HIS  95  17.189  -2.864 -15.312
  717    HA   HIS  95           HA       HIS  95  17.008   0.057 -15.691
  718    HB2  HIS  95           2HB      HIS  95  16.654  -0.382 -13.269
  719    HB3  HIS  95           3HB      HIS  95  18.142  -1.316 -13.212
  720    HD1  HIS  95           HD1      HIS  95  20.399   0.091 -13.578
  721    HD2  HIS  95           HD2      HIS  95  16.978   2.326 -12.828
  722    HE1  HIS  95           HE1      HIS  95  21.216   2.349 -12.866
  723    HE2  HIS  95           HE2      HIS  95  19.138   3.591 -12.189
  724    H    HIS  96           H        HIS  96  18.485   0.448 -17.243
  725    HA   HIS  96           HA       HIS  96  20.995  -1.054 -17.427
  726    HB2  HIS  96           2HB      HIS  96  19.922   1.258 -19.115
  727    HB3  HIS  96           3HB      HIS  96  21.443   0.430 -19.414
  728    HD1  HIS  96           HD1      HIS  96  21.353  -1.748 -20.692
  729    HD2  HIS  96           HD2      HIS  96  17.586  -0.264 -19.758
  730    HE1  HIS  96           HE1      HIS  96  19.739  -3.111 -22.044
  731    HE2  HIS  96           HE2      HIS  96  17.522  -1.983 -21.675
  732    H    HIS  97           H        HIS  97  20.216   2.443 -17.474
  733    HA   HIS  97           HA       HIS  97  21.979   3.186 -15.346
  734    HB2  HIS  97           2HB      HIS  97  23.661   2.686 -17.152
  735    HB3  HIS  97           3HB      HIS  97  22.868   3.847 -18.205
  736    HD1  HIS  97           HD1      HIS  97  24.129   5.983 -18.294
  737    HD2  HIS  97           HD2      HIS  97  24.536   4.136 -14.596
  738    HE1  HIS  97           HE1      HIS  97  25.695   7.440 -16.983
  739    HE2  HIS  97           HE2      HIS  97  25.743   6.417 -14.684
  740    H    HIS  98           H        HIS  98  20.245   4.346 -14.580
  741    HA   HIS  98           HA       HIS  98  18.504   5.952 -16.171
  742    HB2  HIS  98           2HB      HIS  98  17.720   4.964 -14.065
  743    HB3  HIS  98           3HB      HIS  98  18.911   5.871 -13.149
  744    HD1  HIS  98           HD1      HIS  98  15.585   6.214 -14.828
  745    HD2  HIS  98           HD2      HIS  98  18.223   8.588 -12.669
  746    HE1  HIS  98           HE1      HIS  98  14.288   8.261 -14.204
  747    HE2  HIS  98           HE2      HIS  98  15.959   9.754 -13.074
  748    H    HIS  99           H        HIS  99  21.044   6.779 -13.798
  749    HA   HIS  99           HA       HIS  99  21.805   9.114 -15.338
  750    HB2  HIS  99           2HB      HIS  99  19.932   9.921 -13.796
  751    HB3  HIS  99           3HB      HIS  99  20.968   9.519 -12.426
  752    HD1  HIS  99           HD1      HIS  99  22.732  11.217 -11.791
  753    HD2  HIS  99           HD2      HIS  99  20.972  12.068 -15.459
  754    HE1  HIS  99           HE1      HIS  99  23.601  13.476 -12.445
  755    HE2  HIS  99           HE2      HIS  99  22.449  14.008 -14.622
  Start of MODEL    8
    1    H1   GLU   1           1H       GLU   1 -10.383   1.266  15.693
    2    H2   GLU   1           2H       GLU   1 -10.084   2.553  16.746
    3    H3   GLU   1           3H       GLU   1 -11.483   1.620  16.928
    4    HA   GLU   1           HA       GLU   1  -8.703   0.679  17.281
    5    HB2  GLU   1           2HB      GLU   1 -10.889   1.182  19.338
    6    HB3  GLU   1           3HB      GLU   1  -9.321   0.457  19.690
    7    HG2  GLU   1           2HG      GLU   1  -8.232   2.589  18.918
    8    HG3  GLU   1           3HG      GLU   1  -9.838   3.297  18.745
    9    H    ASP   2           H        ASP   2 -11.880  -0.148  16.454
   10    HA   ASP   2           HA       ASP   2 -11.561  -3.004  17.096
   11    HB2  ASP   2           2HB      ASP   2 -13.788  -1.847  17.454
   12    HB3  ASP   2           3HB      ASP   2 -13.867  -1.527  15.727
   13    HA   PRO   3           HA       PRO   3  -9.631  -3.810  13.084
   14    HB2  PRO   3           2HB      PRO   3 -11.219  -6.378  13.150
   15    HB3  PRO   3           3HB      PRO   3  -9.490  -6.126  12.851
   16    HG2  PRO   3           2HG      PRO   3 -10.289  -7.006  15.219
   17    HG3  PRO   3           3HG      PRO   3  -9.017  -5.768  15.130
   18    HD2  PRO   3           2HD      PRO   3 -11.941  -5.439  15.809
   19    HD3  PRO   3           3HD      PRO   3 -10.514  -4.677  16.549
   20    H    GLU   4           H        GLU   4 -13.045  -3.487  13.297
   21    HA   GLU   4           HA       GLU   4 -13.619  -3.669  10.496
   22    HB2  GLU   4           2HB      GLU   4 -15.090  -2.259  12.760
   23    HB3  GLU   4           3HB      GLU   4 -15.705  -2.372  11.112
   24    HG2  GLU   4           2HG      GLU   4 -15.110  -4.768  12.888
   25    HG3  GLU   4           3HG      GLU   4 -16.698  -4.022  12.705
   26    H    ASP   5           H        ASP   5 -12.549  -1.042  12.632
   27    HA   ASP   5           HA       ASP   5 -12.757   1.178  10.925
   28    HB2  ASP   5           2HB      ASP   5 -10.701   0.612  13.110
   29    HB3  ASP   5           3HB      ASP   5 -10.860   2.175  12.317
   30    HA   PRO   6           HA       PRO   6  -9.780   0.393   7.646
   31    HB2  PRO   6           2HB      PRO   6  -9.016   3.070   7.177
   32    HB3  PRO   6           3HB      PRO   6 -10.412   2.259   6.458
   33    HG2  PRO   6           2HG      PRO   6 -10.290   4.030   8.894
   34    HG3  PRO   6           3HG      PRO   6 -11.493   4.009   7.584
   35    HD2  PRO   6           2HD      PRO   6 -12.056   2.880   9.930
   36    HD3  PRO   6           3HD      PRO   6 -12.542   2.067   8.424
   37    H    PHE   7           H        PHE   7  -8.746   2.840  10.077
   38    HA   PHE   7           HA       PHE   7  -5.978   2.526   9.812
   39    HB2  PHE   7           2HB      PHE   7  -6.947   4.426  11.015
   40    HB3  PHE   7           3HB      PHE   7  -7.594   3.359  12.255
   41    HD1  PHE   7           HD2      PHE   7  -4.311   4.335  10.698
   42    HD2  PHE   7           HD1      PHE   7  -6.336   3.080  14.255
   43    HE1  PHE   7           HE2      PHE   7  -2.235   4.600  11.988
   44    HE2  PHE   7           HE1      PHE   7  -4.247   3.343  15.531
   45    HZ   PHE   7           HZ       PHE   7  -2.195   4.104  14.399
   46    H    THR   8           H        THR   8  -8.286   0.675  11.762
   47    HA   THR   8           HA       THR   8  -6.222  -0.546  13.389
   48    HB   THR   8           HB       THR   8  -9.169  -1.323  13.277
   49    HG1  THR   8           HG1      THR   8  -7.924   0.933  14.258
   50   HG21  THR   8          3HG2      THR   8  -7.696  -2.936  14.486
   51   HG22  THR   8          1HG2      THR   8  -8.788  -2.104  15.596
   52   HG23  THR   8          2HG2      THR   8  -7.094  -1.621  15.497
   53    H    ARG   9           H        ARG   9  -8.274  -1.547  10.646
   54    HA   ARG   9           HA       ARG   9  -7.334  -4.274  10.602
   55    HB2  ARG   9           2HB      ARG   9  -8.640  -4.577   8.604
   56    HB3  ARG   9           3HB      ARG   9  -9.577  -3.615   9.733
   57    HG2  ARG   9           2HG      ARG   9  -8.605  -1.579   8.351
   58    HG3  ARG   9           3HG      ARG   9  -8.353  -2.811   7.114
   59    HD2  ARG   9           2HD      ARG   9 -10.985  -2.007   8.404
   60    HD3  ARG   9           3HD      ARG   9 -10.478  -1.713   6.736
   61    HE   ARG   9           HE       ARG   9 -10.414  -4.392   6.840
   62   HH11  ARG   9          1HH1      ARG   9 -12.898  -2.123   7.836
   63   HH12  ARG   9          2HH1      ARG   9 -14.186  -3.237   7.540
   64   HH21  ARG   9          1HH2      ARG   9 -12.143  -5.812   6.467
   65   HH22  ARG   9          2HH2      ARG   9 -13.769  -5.304   6.789
   66    H    TYR  10           H        TYR  10  -6.331  -1.264   9.174
   67    HA   TYR  10           HA       TYR  10  -4.324  -2.200   7.397
   68    HB2  TYR  10           2HB      TYR  10  -5.078   0.101   7.262
   69    HB3  TYR  10           3HB      TYR  10  -4.671   0.402   8.944
   70    HD1  TYR  10           HD2      TYR  10  -3.008  -0.572   5.700
   71    HD2  TYR  10           HD1      TYR  10  -2.653   1.524   9.405
   72    HE1  TYR  10           HE2      TYR  10  -0.819   0.312   5.002
   73    HE2  TYR  10           HE1      TYR  10  -0.475   2.398   8.698
   74    HH   TYR  10           HH       TYR  10   0.619   2.303   5.554
   75    H    ALA  11           H        ALA  11  -4.220  -1.141  10.792
   76    HA   ALA  11           HA       ALA  11  -1.533  -1.737  11.387
   77    HB1  ALA  11           3HB      ALA  11  -3.936  -1.734  13.255
   78    HB2  ALA  11           1HB      ALA  11  -2.973  -0.323  12.818
   79    HB3  ALA  11           2HB      ALA  11  -2.245  -1.630  13.752
   80    H    LEU  12           H        LEU  12  -4.463  -3.671  11.514
   81    HA   LEU  12           HA       LEU  12  -3.523  -6.015  12.757
   82    HB2  LEU  12           2HB      LEU  12  -5.906  -5.473  12.516
   83    HB3  LEU  12           3HB      LEU  12  -5.776  -5.560  10.770
   84    HG   LEU  12           HG       LEU  12  -5.305  -8.022  10.966
   85   HD11  LEU  12          1HD1      LEU  12  -4.412  -8.121  13.229
   86   HD12  LEU  12          2HD1      LEU  12  -5.804  -9.189  13.065
   87   HD13  LEU  12          3HD1      LEU  12  -5.978  -7.642  13.898
   88   HD21  LEU  12          3HD2      LEU  12  -7.628  -8.679  11.434
   89   HD22  LEU  12          1HD2      LEU  12  -7.562  -7.223  10.442
   90   HD23  LEU  12          2HD2      LEU  12  -7.940  -7.102  12.164
   91    H    ALA  13           H        ALA  13  -3.750  -5.032   9.362
   92    HA   ALA  13           HA       ALA  13  -2.782  -7.350   8.109
   93    HB1  ALA  13           3HB      ALA  13  -2.521  -4.469   7.182
   94    HB2  ALA  13           1HB      ALA  13  -3.910  -5.520   6.897
   95    HB3  ALA  13           2HB      ALA  13  -2.350  -5.905   6.168
   96    H    GLN  14           H        GLN  14  -1.088  -4.469   9.323
   97    HA   GLN  14           HA       GLN  14   1.540  -5.187   8.552
   98    HB2  GLN  14           2HB      GLN  14   0.576  -3.367  10.791
   99    HB3  GLN  14           3HB      GLN  14   2.247  -3.468  10.232
  100    HG2  GLN  14           2HG      GLN  14   1.578  -2.674   8.009
  101    HG3  GLN  14           3HG      GLN  14  -0.110  -2.624   8.523
  102   HE21  GLN  14          1HE2      GLN  14   3.030  -1.110   8.856
  103   HE22  GLN  14          2HE2      GLN  14   2.453   0.355   9.564
  104    H    GLU  15           H        GLU  15  -0.384  -6.048  11.390
  105    HA   GLU  15           HA       GLU  15   1.783  -7.344  12.776
  106    HB2  GLU  15           2HB      GLU  15  -1.226  -7.605  13.153
  107    HB3  GLU  15           3HB      GLU  15  -0.014  -8.316  14.219
  108    HG2  GLU  15           2HG      GLU  15  -0.526  -5.364  13.751
  109    HG3  GLU  15           3HG      GLU  15  -0.891  -6.285  15.207
  110    H    HIS  16           H        HIS  16  -0.785  -8.429  10.540
  111    HA   HIS  16           HA       HIS  16  -0.167 -11.179  10.569
  112    HB2  HIS  16           2HB      HIS  16  -1.458  -9.442   8.443
  113    HB3  HIS  16           3HB      HIS  16  -1.175 -11.158   8.170
  114    HD1  HIS  16           HD1      HIS  16  -2.262 -12.729  10.215
  115    HD2  HIS  16           HD2      HIS  16  -3.919  -8.981   9.512
  116    HE1  HIS  16           HE1      HIS  16  -4.552 -12.801  11.241
  117    HE2  HIS  16           HE2      HIS  16  -5.565 -10.556  10.722
  118    H    LEU  17           H        LEU  17   1.354  -8.487   8.873
  119    HA   LEU  17           HA       LEU  17   3.003  -9.872   7.077
  120    HB2  LEU  17           2HB      LEU  17   3.439  -7.242   8.535
  121    HB3  LEU  17           3HB      LEU  17   4.527  -7.830   7.287
  122    HG   LEU  17           HG       LEU  17   1.585  -7.144   6.870
  123   HD11  LEU  17          1HD1      LEU  17   2.385  -5.236   5.556
  124   HD12  LEU  17          2HD1      LEU  17   4.059  -5.644   5.942
  125   HD13  LEU  17          3HD1      LEU  17   2.957  -5.131   7.221
  126   HD21  LEU  17          3HD2      LEU  17   3.688  -8.035   4.867
  127   HD22  LEU  17          1HD2      LEU  17   2.061  -7.472   4.472
  128   HD23  LEU  17          2HD2      LEU  17   2.275  -8.960   5.387
  129    H    LYS  18           H        LYS  18   3.648  -8.927  10.479
  130    HA   LYS  18           HA       LYS  18   6.268 -10.141  10.529
  131    HB2  LYS  18           2HB      LYS  18   6.380  -9.480  12.870
  132    HB3  LYS  18           3HB      LYS  18   5.730  -8.150  11.921
  133    HG2  LYS  18           2HG      LYS  18   3.436  -8.777  12.678
  134    HG3  LYS  18           3HG      LYS  18   4.145 -10.034  13.693
  135    HD2  LYS  18           2HD      LYS  18   3.626  -8.039  15.020
  136    HD3  LYS  18           3HD      LYS  18   5.369  -8.317  14.977
  137    HE2  LYS  18           2HE      LYS  18   5.669  -6.542  13.343
  138    HE3  LYS  18           3HE      LYS  18   3.921  -6.352  13.165
  139    HZ1  LYS  18           3HZ      LYS  18   3.767  -5.523  15.374
  140    HZ2  LYS  18           1HZ      LYS  18   4.983  -4.657  14.581
  141    HZ3  LYS  18           2HZ      LYS  18   5.393  -5.863  15.693
  142    H    HIS  19           H        HIS  19   3.019 -11.201  11.248
  143    HA   HIS  19           HA       HIS  19   3.851 -13.713  12.479
  144    HB2  HIS  19           2HB      HIS  19   1.090 -12.770  11.584
  145    HB3  HIS  19           3HB      HIS  19   1.410 -14.243  12.495
  146    HD1  HIS  19           HD1      HIS  19  -0.307 -11.613  13.346
  147    HD2  HIS  19           HD2      HIS  19   3.430 -12.768  14.766
  148    HE1  HIS  19           HE1      HIS  19  -0.056 -10.490  15.571
  149    HE2  HIS  19           HE2      HIS  19   2.155 -11.291  16.465
  150    H    ASP  20           H        ASP  20   4.169 -12.679   9.444
  151    HA   ASP  20           HA       ASP  20   4.754 -13.668   7.513
  152    HB2  ASP  20           2HB      ASP  20   5.820 -15.380   9.019
  153    HB3  ASP  20           3HB      ASP  20   4.354 -16.345   8.905
  154    H    ASN  21           H        ASN  21   1.729 -13.656   8.640
  155    HA   ASN  21           HA       ASN  21   0.332 -15.111   6.536
  156    HB2  ASN  21           2HB      ASN  21  -0.756 -13.115   8.577
  157    HB3  ASN  21           3HB      ASN  21  -1.725 -14.151   7.546
  158   HD21  ASN  21          1HD2      ASN  21  -0.102 -16.543   7.943
  159   HD22  ASN  21          2HD2      ASN  21  -0.398 -17.058   9.561
  160    H    ALA  22           H        ALA  22   1.985 -13.657   5.146
  161    HA   ALA  22           HA       ALA  22   1.445 -10.924   4.688
  162    HB1  ALA  22           3HB      ALA  22   2.883 -11.226   2.695
  163    HB2  ALA  22           1HB      ALA  22   2.838 -12.972   2.928
  164    HB3  ALA  22           2HB      ALA  22   3.605 -11.939   4.135
  165    H    SER  23           H        SER  23   0.337 -13.901   3.098
  166    HA   SER  23           HA       SER  23  -1.171 -12.876   1.007
  167    HB2  SER  23           2HB      SER  23  -2.487 -15.039   1.223
  168    HB3  SER  23           3HB      SER  23  -0.735 -15.254   1.193
  169    HG   SER  23           HG       SER  23  -2.480 -15.962   3.100
  170    H    ARG  24           H        ARG  24  -2.137 -13.366   4.420
  171    HA   ARG  24           HA       ARG  24  -4.884 -12.601   4.047
  172    HB2  ARG  24           2HB      ARG  24  -3.241 -12.827   6.613
  173    HB3  ARG  24           3HB      ARG  24  -4.999 -12.730   6.523
  174    HG2  ARG  24           2HG      ARG  24  -3.285 -14.999   5.446
  175    HG3  ARG  24           3HG      ARG  24  -4.249 -15.040   6.926
  176    HD2  ARG  24           2HD      ARG  24  -6.304 -14.822   5.640
  177    HD3  ARG  24           3HD      ARG  24  -5.391 -14.624   4.142
  178    HE   ARG  24           HE       ARG  24  -4.870 -17.112   5.532
  179   HH11  ARG  24          1HH1      ARG  24  -6.928 -15.548   3.147
  180   HH12  ARG  24          2HH1      ARG  24  -7.410 -17.046   2.412
  181   HH21  ARG  24          1HH2      ARG  24  -5.523 -19.070   4.551
  182   HH22  ARG  24          2HH2      ARG  24  -6.615 -19.032   3.201
  183    H    ALA  25           H        ALA  25  -1.937 -11.019   5.099
  184    HA   ALA  25           HA       ALA  25  -2.965  -8.493   5.883
  185    HB1  ALA  25           3HB      ALA  25  -0.715  -9.292   6.507
  186    HB2  ALA  25           1HB      ALA  25  -0.623  -7.744   5.669
  187    HB3  ALA  25           2HB      ALA  25  -0.216  -9.238   4.817
  188    H    LEU  26           H        LEU  26  -1.911  -9.886   2.850
  189    HA   LEU  26           HA       LEU  26  -1.759  -7.576   1.218
  190    HB2  LEU  26           2HB      LEU  26  -0.764  -9.843   0.679
  191    HB3  LEU  26           3HB      LEU  26  -2.385 -10.437   0.374
  192    HG   LEU  26           HG       LEU  26  -2.564  -8.717  -1.499
  193   HD11  LEU  26          1HD1      LEU  26   0.422  -8.413  -1.057
  194   HD12  LEU  26          2HD1      LEU  26  -0.800  -7.177  -0.752
  195   HD13  LEU  26          3HD1      LEU  26  -0.514  -7.739  -2.393
  196   HD21  LEU  26          3HD2      LEU  26  -1.234 -10.035  -3.103
  197   HD22  LEU  26          1HD2      LEU  26  -2.115 -11.077  -1.985
  198   HD23  LEU  26          2HD2      LEU  26  -0.383 -10.813  -1.767
  199    H    ALA  27           H        ALA  27  -4.234 -10.039   1.713
  200    HA   ALA  27           HA       ALA  27  -6.316  -9.049   0.165
  201    HB1  ALA  27           3HB      ALA  27  -6.503 -10.616   2.758
  202    HB2  ALA  27           1HB      ALA  27  -6.267 -11.306   1.149
  203    HB3  ALA  27           2HB      ALA  27  -7.774 -10.472   1.538
  204    H    LEU  28           H        LEU  28  -5.515  -8.310   3.584
  205    HA   LEU  28           HA       LEU  28  -7.692  -6.607   4.139
  206    HB2  LEU  28           2HB      LEU  28  -4.964  -6.983   5.353
  207    HB3  LEU  28           3HB      LEU  28  -5.898  -5.584   5.852
  208    HG   LEU  28           HG       LEU  28  -6.884  -8.458   6.107
  209   HD11  LEU  28          1HD1      LEU  28  -6.449  -8.228   8.516
  210   HD12  LEU  28          2HD1      LEU  28  -5.727  -6.639   8.242
  211   HD13  LEU  28          3HD1      LEU  28  -4.958  -8.084   7.582
  212   HD21  LEU  28          3HD2      LEU  28  -8.015  -5.850   7.201
  213   HD22  LEU  28          1HD2      LEU  28  -8.633  -7.467   7.550
  214   HD23  LEU  28          2HD2      LEU  28  -8.720  -6.830   5.911
  215    H    PHE  29           H        PHE  29  -4.481  -5.870   2.774
  216    HA   PHE  29           HA       PHE  29  -4.801  -3.041   2.729
  217    HB2  PHE  29           2HB      PHE  29  -2.965  -4.854   1.119
  218    HB3  PHE  29           3HB      PHE  29  -2.889  -3.101   1.064
  219    HD1  PHE  29           HD2      PHE  29  -3.058  -2.289   3.880
  220    HD2  PHE  29           HD1      PHE  29  -0.980  -5.600   2.132
  221    HE1  PHE  29           HE2      PHE  29  -1.438  -2.276   5.737
  222    HE2  PHE  29           HE1      PHE  29   0.632  -5.568   3.992
  223    HZ   PHE  29           HZ       PHE  29   0.400  -3.908   5.799
  224    H    GLU  30           H        GLU  30  -5.249  -5.558   0.230
  225    HA   GLU  30           HA       GLU  30  -6.101  -3.917  -1.902
  226    HB2  GLU  30           2HB      GLU  30  -6.702  -6.846  -1.312
  227    HB3  GLU  30           3HB      GLU  30  -7.013  -6.059  -2.858
  228    HG2  GLU  30           2HG      GLU  30  -4.635  -5.681  -3.201
  229    HG3  GLU  30           3HG      GLU  30  -4.266  -6.307  -1.595
  230    H    GLU  31           H        GLU  31  -7.799  -5.294   0.828
  231    HA   GLU  31           HA       GLU  31 -10.477  -4.773  -0.012
  232    HB2  GLU  31           2HB      GLU  31  -9.959  -6.432   1.724
  233    HB3  GLU  31           3HB      GLU  31  -9.254  -5.192   2.749
  234    HG2  GLU  31           2HG      GLU  31 -11.468  -4.145   3.020
  235    HG3  GLU  31           3HG      GLU  31 -12.182  -5.380   1.976
  236    H    LEU  32           H        LEU  32  -8.077  -3.046   1.984
  237    HA   LEU  32           HA       LEU  32  -9.578  -0.833   2.776
  238    HB2  LEU  32           2HB      LEU  32  -6.618  -1.172   2.242
  239    HB3  LEU  32           3HB      LEU  32  -7.272   0.360   2.804
  240    HG   LEU  32           HG       LEU  32  -7.634  -2.235   4.351
  241   HD11  LEU  32          1HD1      LEU  32  -5.803  -1.518   5.809
  242   HD12  LEU  32          2HD1      LEU  32  -5.495  -0.129   4.764
  243   HD13  LEU  32          3HD1      LEU  32  -5.227  -1.766   4.159
  244   HD21  LEU  32          3HD2      LEU  32  -7.958   0.680   5.144
  245   HD22  LEU  32          1HD2      LEU  32  -8.137  -0.704   6.222
  246   HD23  LEU  32          2HD2      LEU  32  -9.264  -0.483   4.888
  247    H    VAL  33           H        VAL  33  -7.640  -1.327  -0.169
  248    HA   VAL  33           HA       VAL  33  -7.885   1.217  -1.313
  249    HB   VAL  33           HB       VAL  33  -7.548  -1.481  -2.699
  250   HG11  VAL  33          1HG1      VAL  33  -7.118   1.298  -3.880
  251   HG12  VAL  33          2HG1      VAL  33  -8.376   0.154  -4.347
  252   HG13  VAL  33          3HG1      VAL  33  -6.685  -0.224  -4.669
  253   HG21  VAL  33          3HG2      VAL  33  -5.481   0.617  -1.912
  254   HG22  VAL  33          1HG2      VAL  33  -5.142  -0.876  -2.794
  255   HG23  VAL  33          2HG2      VAL  33  -5.721  -0.947  -1.130
  256    H    GLU  34           H        GLU  34  -9.884  -1.727  -1.961
  257    HA   GLU  34           HA       GLU  34 -11.596  -0.390  -3.778
  258    HB2  GLU  34           2HB      GLU  34 -13.051  -2.360  -3.686
  259    HB3  GLU  34           3HB      GLU  34 -11.361  -2.802  -3.877
  260    HG2  GLU  34           2HG      GLU  34 -11.220  -3.463  -1.538
  261    HG3  GLU  34           3HG      GLU  34 -12.875  -2.916  -1.253
  262    H    THR  35           H        THR  35 -12.083  -1.099  -0.249
  263    HA   THR  35           HA       THR  35 -14.706  -0.046  -0.117
  264    HB   THR  35           HB       THR  35 -14.364  -0.121   2.370
  265    HG1  THR  35           HG1      THR  35 -11.891  -1.344   2.211
  266   HG21  THR  35          3HG2      THR  35 -15.042  -2.203   1.212
  267   HG22  THR  35          1HG2      THR  35 -13.983  -2.562   2.575
  268   HG23  THR  35          2HG2      THR  35 -13.348  -2.612   0.928
  269    H    ASP  36           H        ASP  36 -11.511   1.370   0.309
  270    HA   ASP  36           HA       ASP  36 -12.621   4.082   0.302
  271    HB2  ASP  36           2HB      ASP  36 -12.308   3.347   2.750
  272    HB3  ASP  36           3HB      ASP  36 -10.588   3.263   2.417
  273    HA   PRO  37           HA       PRO  37  -8.925   3.715  -2.474
  274    HB2  PRO  37           2HB      PRO  37  -9.710   5.568  -4.314
  275    HB3  PRO  37           3HB      PRO  37 -10.376   3.930  -4.289
  276    HG2  PRO  37           2HG      PRO  37 -11.539   6.460  -3.129
  277    HG3  PRO  37           3HG      PRO  37 -12.331   5.235  -4.143
  278    HD2  PRO  37           2HD      PRO  37 -12.614   5.263  -1.442
  279    HD3  PRO  37           3HD      PRO  37 -12.590   3.739  -2.360
  280    H    ASP  38           H        ASP  38  -9.913   6.049  -0.318
  281    HA   ASP  38           HA       ASP  38  -8.057   8.167  -1.165
  282    HB2  ASP  38           2HB      ASP  38 -10.198   8.074   1.000
  283    HB3  ASP  38           3HB      ASP  38  -9.203   9.487   0.650
  284    H    TYR  39           H        TYR  39  -8.354   5.617   1.209
  285    HA   TYR  39           HA       TYR  39  -6.582   6.614   3.177
  286    HB2  TYR  39           2HB      TYR  39  -8.234   4.639   3.394
  287    HB3  TYR  39           3HB      TYR  39  -7.015   3.648   2.608
  288    HD1  TYR  39           HD2      TYR  39  -4.859   3.154   3.809
  289    HD2  TYR  39           HD1      TYR  39  -7.967   5.367   5.725
  290    HE1  TYR  39           HE2      TYR  39  -3.810   2.729   5.980
  291    HE2  TYR  39           HE1      TYR  39  -6.898   4.957   7.905
  292    HH   TYR  39           HH       TYR  39  -3.729   3.639   8.175
  293    H    VAL  40           H        VAL  40  -4.725   7.402   2.385
  294    HA   VAL  40           HA       VAL  40  -3.246   6.402   0.184
  295    HB   VAL  40           HB       VAL  40  -2.315   8.347   2.351
  296   HG11  VAL  40          1HG1      VAL  40  -0.451   7.553   0.962
  297   HG12  VAL  40          2HG1      VAL  40  -0.802   9.240   0.584
  298   HG13  VAL  40          3HG1      VAL  40  -1.338   7.960  -0.508
  299   HG21  VAL  40          3HG2      VAL  40  -4.452   9.095   1.353
  300   HG22  VAL  40          1HG2      VAL  40  -3.752   8.969  -0.262
  301   HG23  VAL  40          2HG2      VAL  40  -3.128  10.163   0.882
  302    H    GLY  41           H        GLY  41  -2.961   5.958   3.675
  303    HA2  GLY  41           2HA      GLY  41  -0.306   5.116   3.958
  304    HA3  GLY  41           3HA      GLY  41  -1.627   4.686   5.032
  305    H    THR  42           H        THR  42  -3.164   3.284   3.020
  306    HA   THR  42           HA       THR  42  -2.292   0.658   3.195
  307    HB   THR  42           HB       THR  42  -4.106   1.934   1.092
  308    HG1  THR  42           HG1      THR  42  -5.687   1.584   2.512
  309   HG21  THR  42          3HG2      THR  42  -5.052  -0.340   0.805
  310   HG22  THR  42          1HG2      THR  42  -3.798  -0.995   1.864
  311   HG23  THR  42          2HG2      THR  42  -3.361  -0.273   0.313
  312    H    TYR  43           H        TYR  43  -2.010   2.919   0.464
  313    HA   TYR  43           HA       TYR  43  -1.296   1.078  -1.479
  314    HB2  TYR  43           2HB      TYR  43  -0.827   4.080  -1.367
  315    HB3  TYR  43           3HB      TYR  43  -0.522   3.106  -2.807
  316    HD1  TYR  43           HD1      TYR  43  -2.404   2.030  -4.025
  317    HD2  TYR  43           HD2      TYR  43  -3.150   4.601  -0.694
  318    HE1  TYR  43           HE1      TYR  43  -4.755   2.198  -4.683
  319    HE2  TYR  43           HE2      TYR  43  -5.512   4.767  -1.370
  320    HH   TYR  43           HH       TYR  43  -6.862   4.491  -3.392
  321    H    TYR  44           H        TYR  44   0.914   3.111   0.501
  322    HA   TYR  44           HA       TYR  44   3.311   2.314  -0.618
  323    HB2  TYR  44           2HB      TYR  44   2.954   4.133   1.122
  324    HB3  TYR  44           3HB      TYR  44   2.902   2.872   2.349
  325    HD1  TYR  44           HD1      TYR  44   5.093   4.068  -0.465
  326    HD2  TYR  44           HD2      TYR  44   4.955   2.322   3.434
  327    HE1  TYR  44           HE1      TYR  44   7.543   4.168  -0.327
  328    HE2  TYR  44           HE2      TYR  44   7.401   2.426   3.576
  329    HH   TYR  44           HH       TYR  44   9.274   4.271   1.466
  330    H    HIS  45           H        HIS  45   1.778   0.892   2.286
  331    HA   HIS  45           HA       HIS  45   3.714  -1.190   2.575
  332    HB2  HIS  45           2HB      HIS  45   1.032  -0.710   3.915
  333    HB3  HIS  45           3HB      HIS  45   2.030  -2.112   4.301
  334    HD1  HIS  45           HD1      HIS  45   3.420  -1.716   6.319
  335    HD2  HIS  45           HD2      HIS  45   2.849   1.781   4.148
  336    HE1  HIS  45           HE1      HIS  45   4.684   0.066   7.548
  337    HE2  HIS  45           HE2      HIS  45   4.455   2.122   6.137
  338    H    LEU  46           H        LEU  46   0.680  -1.047   0.870
  339    HA   LEU  46           HA       LEU  46   0.339  -3.835   0.366
  340    HB2  LEU  46           2HB      LEU  46  -1.536  -2.294   0.123
  341    HB3  LEU  46           3HB      LEU  46  -0.680  -1.367  -1.094
  342    HG   LEU  46           HG       LEU  46  -0.883  -3.201  -2.716
  343   HD11  LEU  46          1HD1      LEU  46  -2.134  -5.250  -2.268
  344   HD12  LEU  46          2HD1      LEU  46  -2.347  -4.779  -0.583
  345   HD13  LEU  46          3HD1      LEU  46  -0.735  -5.130  -1.203
  346   HD21  LEU  46          3HD2      LEU  46  -3.564  -2.615  -1.413
  347   HD22  LEU  46          1HD2      LEU  46  -3.308  -3.189  -3.063
  348   HD23  LEU  46          2HD2      LEU  46  -2.740  -1.589  -2.594
  349    H    GLY  47           H        GLY  47   1.848  -1.148  -1.407
  350    HA2  GLY  47           2HA      GLY  47   2.653  -2.653  -3.697
  351    HA3  GLY  47           3HA      GLY  47   3.213  -1.052  -3.236
  352    H    LYS  48           H        LYS  48   4.195  -1.812  -0.641
  353    HA   LYS  48           HA       LYS  48   6.822  -2.689  -1.308
  354    HB2  LYS  48           2HB      LYS  48   5.457  -2.107   1.351
  355    HB3  LYS  48           3HB      LYS  48   7.117  -2.701   1.276
  356    HG2  LYS  48           2HG      LYS  48   6.089  -0.132   0.025
  357    HG3  LYS  48           3HG      LYS  48   7.066  -0.259   1.496
  358    HD2  LYS  48           2HD      LYS  48   8.963  -1.085   0.258
  359    HD3  LYS  48           3HD      LYS  48   8.006  -1.292  -1.210
  360    HE2  LYS  48           2HE      LYS  48   7.706   1.178  -1.318
  361    HE3  LYS  48           3HE      LYS  48   8.770   1.340   0.087
  362    HZ1  LYS  48           3HZ      LYS  48  10.536   0.359  -1.135
  363    HZ2  LYS  48           1HZ      LYS  48   9.907   1.637  -2.044
  364    HZ3  LYS  48           2HZ      LYS  48   9.529   0.034  -2.461
  365    H    LEU  49           H        LEU  49   4.019  -4.182   0.171
  366    HA   LEU  49           HA       LEU  49   5.185  -6.691   0.769
  367    HB2  LEU  49           2HB      LEU  49   3.067  -5.929   1.754
  368    HB3  LEU  49           3HB      LEU  49   2.293  -5.961   0.178
  369    HG   LEU  49           HG       LEU  49   2.414  -8.396   0.090
  370   HD11  LEU  49          1HD1      LEU  49   4.600  -8.736   1.175
  371   HD12  LEU  49          2HD1      LEU  49   3.363  -9.762   1.883
  372   HD13  LEU  49          3HD1      LEU  49   3.898  -8.316   2.740
  373   HD21  LEU  49          3HD2      LEU  49   1.405  -7.487   2.807
  374   HD22  LEU  49          1HD2      LEU  49   0.956  -8.979   1.978
  375   HD23  LEU  49          2HD2      LEU  49   0.501  -7.422   1.292
  376    H    TYR  50           H        TYR  50   3.494  -5.419  -2.108
  377    HA   TYR  50           HA       TYR  50   3.603  -7.686  -3.743
  378    HB2  TYR  50           2HB      TYR  50   3.640  -4.727  -4.422
  379    HB3  TYR  50           3HB      TYR  50   3.743  -5.943  -5.689
  380    HD1  TYR  50           HD1      TYR  50   1.813  -7.997  -4.771
  381    HD2  TYR  50           HD2      TYR  50   1.503  -3.734  -4.717
  382    HE1  TYR  50           HE1      TYR  50  -0.632  -8.166  -4.919
  383    HE2  TYR  50           HE2      TYR  50  -0.939  -3.915  -4.849
  384    HH   TYR  50           HH       TYR  50  -2.620  -6.785  -4.318
  385    H    GLU  51           H        GLU  51   6.046  -5.073  -3.381
  386    HA   GLU  51           HA       GLU  51   7.999  -5.993  -5.143
  387    HB2  GLU  51           2HB      GLU  51   8.336  -4.509  -2.513
  388    HB3  GLU  51           3HB      GLU  51   9.656  -4.783  -3.641
  389    HG2  GLU  51           2HG      GLU  51   8.466  -3.442  -5.348
  390    HG3  GLU  51           3HG      GLU  51   7.153  -3.162  -4.205
  391    H    ARG  52           H        ARG  52   7.420  -6.923  -1.752
  392    HA   ARG  52           HA       ARG  52   9.661  -8.650  -1.407
  393    HB2  ARG  52           2HB      ARG  52   6.970  -8.612   0.020
  394    HB3  ARG  52           3HB      ARG  52   8.346  -9.586   0.531
  395    HG2  ARG  52           2HG      ARG  52   9.644  -7.520   0.942
  396    HG3  ARG  52           3HG      ARG  52   8.249  -6.556   0.447
  397    HD2  ARG  52           2HD      ARG  52   8.359  -6.680   2.884
  398    HD3  ARG  52           3HD      ARG  52   6.924  -7.535   2.308
  399    HE   ARG  52           HE       ARG  52   9.427  -8.967   3.006
  400   HH11  ARG  52          1HH1      ARG  52   5.943  -8.624   3.436
  401   HH12  ARG  52          2HH1      ARG  52   5.817 -10.027   4.447
  402   HH21  ARG  52          1HH2      ARG  52   9.241 -10.788   4.333
  403   HH22  ARG  52          2HH2      ARG  52   7.686 -11.266   4.941
  404    H    LEU  53           H        LEU  53   6.360  -9.175  -2.567
  405    HA   LEU  53           HA       LEU  53   6.593 -12.056  -2.837
  406    HB2  LEU  53           2HB      LEU  53   4.470 -10.089  -3.776
  407    HB3  LEU  53           3HB      LEU  53   4.311 -11.838  -3.863
  408    HG   LEU  53           HG       LEU  53   4.619 -10.290  -1.256
  409   HD11  LEU  53          1HD1      LEU  53   2.077 -11.382  -2.494
  410   HD12  LEU  53          2HD1      LEU  53   2.507  -9.678  -2.335
  411   HD13  LEU  53          3HD1      LEU  53   2.222 -10.650  -0.893
  412   HD21  LEU  53          3HD2      LEU  53   3.918 -12.389  -0.179
  413   HD22  LEU  53          1HD2      LEU  53   5.401 -12.614  -1.106
  414   HD23  LEU  53          2HD2      LEU  53   3.862 -13.191  -1.751
  415    H    ASP  54           H        ASP  54   8.204  -9.866  -4.537
  416    HA   ASP  54           HA       ASP  54   8.894  -9.414  -6.627
  417    HB2  ASP  54           2HB      ASP  54   9.774 -11.758  -6.178
  418    HB3  ASP  54           3HB      ASP  54   8.413 -12.389  -7.094
  419    H    ARG  55           H        ARG  55   6.252  -8.795  -6.233
  420    HA   ARG  55           HA       ARG  55   5.029  -9.052  -8.903
  421    HB2  ARG  55           2HB      ARG  55   3.744  -8.288  -6.233
  422    HB3  ARG  55           3HB      ARG  55   2.902  -8.420  -7.773
  423    HG2  ARG  55           2HG      ARG  55   4.178 -10.691  -6.208
  424    HG3  ARG  55           3HG      ARG  55   2.451 -10.373  -6.388
  425    HD2  ARG  55           2HD      ARG  55   4.388 -11.204  -8.579
  426    HD3  ARG  55           3HD      ARG  55   3.101 -12.191  -7.875
  427    HE   ARG  55           HE       ARG  55   2.481  -9.685  -9.328
  428   HH11  ARG  55          1HH1      ARG  55   2.058 -13.161  -9.052
  429   HH12  ARG  55          2HH1      ARG  55   0.811 -13.205 -10.256
  430   HH21  ARG  55          1HH2      ARG  55   0.873  -9.747 -10.870
  431   HH22  ARG  55          2HH2      ARG  55   0.139 -11.267 -11.299
  432    H    THR  56           H        THR  56   7.028  -7.470  -9.050
  433    HA   THR  56           HA       THR  56   7.056  -4.874  -8.057
  434    HB   THR  56           HB       THR  56   8.106  -5.846 -10.756
  435    HG1  THR  56           HG1      THR  56   9.444  -6.925  -9.542
  436   HG21  THR  56          3HG2      THR  56   8.975  -3.444  -9.093
  437   HG22  THR  56          1HG2      THR  56   8.113  -3.375 -10.632
  438   HG23  THR  56          2HG2      THR  56   9.756  -4.010 -10.571
  439    H    ASP  57           H        ASP  57   5.434  -6.128 -10.953
  440    HA   ASP  57           HA       ASP  57   4.756  -3.629 -12.126
  441    HB2  ASP  57           2HB      ASP  57   3.323  -4.933 -13.644
  442    HB3  ASP  57           3HB      ASP  57   4.891  -5.704 -13.459
  443    H    ASP  58           H        ASP  58   3.017  -5.865  -9.981
  444    HA   ASP  58           HA       ASP  58   0.536  -4.508  -9.833
  445    HB2  ASP  58           2HB      ASP  58   1.934  -6.292  -7.787
  446    HB3  ASP  58           3HB      ASP  58   0.266  -5.748  -7.640
  447    H    ALA  59           H        ALA  59   3.554  -4.245  -7.998
  448    HA   ALA  59           HA       ALA  59   2.797  -2.444  -5.987
  449    HB1  ALA  59           3HB      ALA  59   4.928  -3.700  -5.945
  450    HB2  ALA  59           1HB      ALA  59   5.203  -1.969  -5.734
  451    HB3  ALA  59           2HB      ALA  59   5.531  -2.734  -7.292
  452    H    ILE  60           H        ILE  60   4.185  -1.804  -9.231
  453    HA   ILE  60           HA       ILE  60   4.499   0.969  -9.066
  454    HB   ILE  60           HB       ILE  60   3.793  -0.550 -11.618
  455   HG12  ILE  60          2HG1      ILE  60   5.710  -1.669 -10.607
  456   HG13  ILE  60          3HG1      ILE  60   6.281  -0.743 -11.983
  457   HG21  ILE  60          1HG2      ILE  60   5.053   1.255 -12.784
  458   HG22  ILE  60          2HG2      ILE  60   5.260   2.092 -11.242
  459   HG23  ILE  60          3HG2      ILE  60   3.645   1.873 -11.916
  460   HD11  ILE  60          3HD1      ILE  60   7.830  -0.564 -10.168
  461   HD12  ILE  60          1HD1      ILE  60   6.559  -0.012  -9.076
  462   HD13  ILE  60          2HD1      ILE  60   7.066   1.002 -10.429
  463    H    ASP  61           H        ASP  61   1.742  -0.940 -10.167
  464    HA   ASP  61           HA       ASP  61   0.065   1.179 -11.024
  465    HB2  ASP  61           2HB      ASP  61  -0.208  -1.221 -11.699
  466    HB3  ASP  61           3HB      ASP  61  -0.739  -1.606 -10.064
  467    H    THR  62           H        THR  62   0.355  -0.565  -7.968
  468    HA   THR  62           HA       THR  62  -1.756   0.577  -6.517
  469    HB   THR  62           HB       THR  62   0.919  -0.474  -5.468
  470    HG1  THR  62           HG1      THR  62   0.149  -2.300  -6.161
  471   HG21  THR  62          3HG2      THR  62  -0.297  -0.950  -3.379
  472   HG22  THR  62          1HG2      THR  62  -1.756  -0.210  -4.041
  473   HG23  THR  62          2HG2      THR  62  -0.327   0.778  -3.730
  474    H    TYR  63           H        TYR  63   1.676   1.527  -6.711
  475    HA   TYR  63           HA       TYR  63   1.551   3.758  -4.986
  476    HB2  TYR  63           2HB      TYR  63   3.496   3.178  -7.251
  477    HB3  TYR  63           3HB      TYR  63   3.714   4.452  -6.052
  478    HD1  TYR  63           HD2      TYR  63   3.051   3.147  -3.506
  479    HD2  TYR  63           HD1      TYR  63   5.173   1.567  -6.857
  480    HE1  TYR  63           HE2      TYR  63   4.224   1.584  -2.032
  481    HE2  TYR  63           HE1      TYR  63   6.349   0.007  -5.373
  482    HH   TYR  63           HH       TYR  63   6.889  -0.319  -3.145
  483    H    ALA  64           H        ALA  64   1.309   3.490  -8.528
  484    HA   ALA  64           HA       ALA  64   1.159   6.157  -9.273
  485    HB1  ALA  64           3HB      ALA  64  -0.238   3.803 -10.593
  486    HB2  ALA  64           1HB      ALA  64   1.440   4.288 -10.869
  487    HB3  ALA  64           2HB      ALA  64   0.119   5.356 -11.352
  488    H    GLN  65           H        GLN  65  -1.501   3.930  -8.460
  489    HA   GLN  65           HA       GLN  65  -3.652   5.762  -8.781
  490    HB2  GLN  65           2HB      GLN  65  -3.527   3.074  -8.501
  491    HB3  GLN  65           3HB      GLN  65  -3.856   3.452  -6.820
  492    HG2  GLN  65           2HG      GLN  65  -5.658   4.666  -8.885
  493    HG3  GLN  65           3HG      GLN  65  -5.781   2.932  -8.638
  494   HE21  GLN  65          1HE2      GLN  65  -5.230   5.329  -6.035
  495   HE22  GLN  65          2HE2      GLN  65  -6.724   5.041  -5.250
  496    H    GLY  66           H        GLY  66  -1.637   4.761  -6.079
  497    HA2  GLY  66           2HA      GLY  66  -2.840   6.126  -3.958
  498    HA3  GLY  66           3HA      GLY  66  -1.156   5.633  -4.042
  499    H    ILE  67           H        ILE  67  -0.443   7.245  -6.326
  500    HA   ILE  67           HA       ILE  67   0.468   9.579  -5.086
  501    HB   ILE  67           HB       ILE  67   0.244   8.795  -8.018
  502   HG12  ILE  67          2HG1      ILE  67   2.694   9.081  -6.213
  503   HG13  ILE  67          3HG1      ILE  67   1.887   7.561  -6.574
  504   HG21  ILE  67          1HG2      ILE  67   0.158  11.253  -8.013
  505   HG22  ILE  67          2HG2      ILE  67   1.697  10.694  -8.662
  506   HG23  ILE  67          3HG2      ILE  67   1.612  11.322  -7.017
  507   HD11  ILE  67          3HD1      ILE  67   3.913   7.848  -7.866
  508   HD12  ILE  67          1HD1      ILE  67   3.282   9.331  -8.576
  509   HD13  ILE  67          2HD1      ILE  67   2.503   7.783  -8.920
  510    H    GLU  68           H        GLU  68  -2.299   9.036  -7.194
  511    HA   GLU  68           HA       GLU  68  -3.139  11.692  -7.613
  512    HB2  GLU  68           2HB      GLU  68  -4.818   9.149  -7.562
  513    HB3  GLU  68           3HB      GLU  68  -5.266  10.672  -8.334
  514    HG2  GLU  68           2HG      GLU  68  -3.401  10.435  -9.918
  515    HG3  GLU  68           3HG      GLU  68  -2.895   8.945  -9.123
  516    H    VAL  69           H        VAL  69  -4.036   9.297  -5.169
  517    HA   VAL  69           HA       VAL  69  -5.858  11.133  -3.816
  518    HB   VAL  69           HB       VAL  69  -6.399   9.324  -2.288
  519   HG11  VAL  69          1HG1      VAL  69  -7.374   7.717  -3.904
  520   HG12  VAL  69          2HG1      VAL  69  -6.331   8.357  -5.175
  521   HG13  VAL  69          3HG1      VAL  69  -7.569   9.384  -4.448
  522   HG21  VAL  69          3HG2      VAL  69  -5.407   7.062  -2.466
  523   HG22  VAL  69          1HG2      VAL  69  -4.192   8.261  -2.011
  524   HG23  VAL  69          2HG2      VAL  69  -4.256   7.656  -3.668
  525    H    ALA  70           H        ALA  70  -2.531  10.372  -3.637
  526    HA   ALA  70           HA       ALA  70  -2.071  10.822  -0.835
  527    HB1  ALA  70           3HB      ALA  70  -0.526   9.470  -2.185
  528    HB2  ALA  70           1HB      ALA  70   0.320  10.814  -1.414
  529    HB3  ALA  70           2HB      ALA  70  -0.091  10.891  -3.133
  530    H    ARG  71           H        ARG  71  -1.618  12.774  -3.750
  531    HA   ARG  71           HA       ARG  71  -0.625  15.112  -2.484
  532    HB2  ARG  71           2HB      ARG  71  -1.115  16.227  -4.675
  533    HB3  ARG  71           3HB      ARG  71  -0.235  14.713  -4.855
  534    HG2  ARG  71           2HG      ARG  71  -2.365  13.562  -5.424
  535    HG3  ARG  71           3HG      ARG  71  -3.206  15.109  -5.323
  536    HD2  ARG  71           2HD      ARG  71  -1.828  15.970  -7.188
  537    HD3  ARG  71           3HD      ARG  71  -0.991  14.411  -7.280
  538    HE   ARG  71           HE       ARG  71  -3.820  14.073  -7.491
  539   HH11  ARG  71          1HH1      ARG  71  -1.048  15.083  -9.391
  540   HH12  ARG  71          2HH1      ARG  71  -1.789  14.684 -10.901
  541   HH21  ARG  71          1HH2      ARG  71  -4.777  13.571  -9.481
  542   HH22  ARG  71          2HH2      ARG  71  -3.900  13.827 -10.956
  543    H    GLU  72           H        GLU  72  -3.871  13.907  -2.996
  544    HA   GLU  72           HA       GLU  72  -5.147  16.473  -2.434
  545    HB2  GLU  72           2HB      GLU  72  -6.392  13.760  -3.043
  546    HB3  GLU  72           3HB      GLU  72  -7.252  15.296  -2.957
  547    HG2  GLU  72           2HG      GLU  72  -5.152  14.501  -4.994
  548    HG3  GLU  72           3HG      GLU  72  -6.882  14.660  -5.279
  549    H    GLU  73           H        GLU  73  -5.177  13.190  -1.010
  550    HA   GLU  73           HA       GLU  73  -6.656  14.086   1.332
  551    HB2  GLU  73           2HB      GLU  73  -5.591  11.304   0.689
  552    HB3  GLU  73           3HB      GLU  73  -6.721  11.712   1.980
  553    HG2  GLU  73           2HG      GLU  73  -7.206  11.859  -1.001
  554    HG3  GLU  73           3HG      GLU  73  -7.928  10.725   0.140
  555    H    GLY  74           H        GLY  74  -3.414  12.617   0.679
  556    HA2  GLY  74           2HA      GLY  74  -2.714  12.807   3.517
  557    HA3  GLY  74           3HA      GLY  74  -1.796  12.017   2.239
  558    H    THR  75           H        THR  75  -0.028  13.220   3.385
  559    HA   THR  75           HA       THR  75   0.213  16.051   2.586
  560    HB   THR  75           HB       THR  75   2.239  16.064   4.063
  561    HG1  THR  75           HG1      THR  75   1.431  13.451   4.865
  562   HG21  THR  75          3HG2      THR  75   0.034  16.690   5.015
  563   HG22  THR  75          1HG2      THR  75   1.060  15.899   6.216
  564   HG23  THR  75          2HG2      THR  75  -0.249  15.002   5.445
  565    H    GLN  76           H        GLN  76   2.550  16.658   1.967
  566    HA   GLN  76           HA       GLN  76   3.373  15.536  -0.452
  567    HB2  GLN  76           2HB      GLN  76   3.989  17.809   0.170
  568    HB3  GLN  76           3HB      GLN  76   4.867  17.238   1.577
  569    HG2  GLN  76           2HG      GLN  76   6.572  17.800   0.103
  570    HG3  GLN  76           3HG      GLN  76   6.447  16.066  -0.119
  571   HE21  GLN  76          1HE2      GLN  76   4.046  16.321  -1.897
  572   HE22  GLN  76          2HE2      GLN  76   4.658  16.924  -3.382
  573    H    LYS  77           H        LYS  77   4.229  14.735   2.843
  574    HA   LYS  77           HA       LYS  77   6.495  13.123   2.516
  575    HB2  LYS  77           2HB      LYS  77   5.797  13.849   4.706
  576    HB3  LYS  77           3HB      LYS  77   4.211  13.115   4.516
  577    HG2  LYS  77           2HG      LYS  77   5.373  10.853   4.523
  578    HG3  LYS  77           3HG      LYS  77   6.858  11.698   4.965
  579    HD2  LYS  77           2HD      LYS  77   5.724  10.774   6.962
  580    HD3  LYS  77           3HD      LYS  77   5.796  12.538   7.030
  581    HE2  LYS  77           2HE      LYS  77   3.592  11.678   7.758
  582    HE3  LYS  77           3HE      LYS  77   3.439  12.678   6.312
  583    HZ1  LYS  77           3HZ      LYS  77   3.464   9.704   6.380
  584    HZ2  LYS  77           1HZ      LYS  77   3.330  10.646   4.987
  585    HZ3  LYS  77           2HZ      LYS  77   2.106  10.683   6.145
  586    H    ASP  78           H        ASP  78   3.023  12.164   2.624
  587    HA   ASP  78           HA       ASP  78   3.386   9.390   2.169
  588    HB2  ASP  78           2HB      ASP  78   0.929  11.113   1.557
  589    HB3  ASP  78           3HB      ASP  78   0.949   9.352   1.657
  590    H    LEU  79           H        LEU  79   2.572  12.067   0.032
  591    HA   LEU  79           HA       LEU  79   2.311  10.792  -2.419
  592    HB2  LEU  79           2HB      LEU  79   1.697  13.132  -1.969
  593    HB3  LEU  79           3HB      LEU  79   3.387  13.558  -1.750
  594    HG   LEU  79           HG       LEU  79   3.804  13.061  -4.170
  595   HD11  LEU  79          1HD1      LEU  79   1.903  12.745  -5.701
  596   HD12  LEU  79          2HD1      LEU  79   0.800  12.655  -4.325
  597   HD13  LEU  79          3HD1      LEU  79   2.033  11.412  -4.555
  598   HD21  LEU  79          3HD2      LEU  79   3.313  15.363  -3.453
  599   HD22  LEU  79          1HD2      LEU  79   1.587  15.080  -3.688
  600   HD23  LEU  79          2HD2      LEU  79   2.689  15.050  -5.068
  601    H    SER  80           H        SER  80   5.197  12.061  -0.849
  602    HA   SER  80           HA       SER  80   7.017  11.648  -2.996
  603    HB2  SER  80           2HB      SER  80   7.346  13.336  -1.169
  604    HB3  SER  80           3HB      SER  80   7.642  12.020  -0.038
  605    HG   SER  80           HG       SER  80   9.311  13.182  -1.814
  606    H    GLU  81           H        GLU  81   5.996   9.699  -0.228
  607    HA   GLU  81           HA       GLU  81   7.983   7.686  -0.336
  608    HB2  GLU  81           2HB      GLU  81   5.128   7.667   0.719
  609    HB3  GLU  81           3HB      GLU  81   6.192   6.273   0.865
  610    HG2  GLU  81           2HG      GLU  81   6.689   9.015   2.065
  611    HG3  GLU  81           3HG      GLU  81   6.135   7.582   2.932
  612    H    LEU  82           H        LEU  82   4.762   7.896  -1.805
  613    HA   LEU  82           HA       LEU  82   4.756   5.345  -3.062
  614    HB2  LEU  82           2HB      LEU  82   3.147   7.846  -3.693
  615    HB3  LEU  82           3HB      LEU  82   2.778   6.226  -4.286
  616    HG   LEU  82           HG       LEU  82   2.806   7.020  -1.342
  617   HD11  LEU  82          1HD1      LEU  82   0.373   6.870  -1.413
  618   HD12  LEU  82          2HD1      LEU  82   0.430   6.575  -3.151
  619   HD13  LEU  82          3HD1      LEU  82   0.968   8.123  -2.501
  620   HD21  LEU  82          3HD2      LEU  82   3.331   4.656  -1.648
  621   HD22  LEU  82          1HD2      LEU  82   1.907   4.443  -2.672
  622   HD23  LEU  82          2HD2      LEU  82   1.720   4.837  -0.961
  623    H    GLN  83           H        GLN  83   5.613   8.587  -4.196
  624    HA   GLN  83           HA       GLN  83   6.006   7.989  -6.948
  625    HB2  GLN  83           2HB      GLN  83   7.056  10.243  -5.179
  626    HB3  GLN  83           3HB      GLN  83   7.349  10.178  -6.917
  627    HG2  GLN  83           2HG      GLN  83   4.956  10.308  -7.366
  628    HG3  GLN  83           3HG      GLN  83   4.596  10.236  -5.645
  629   HE21  GLN  83          1HE2      GLN  83   6.669  12.082  -4.819
  630   HE22  GLN  83          2HE2      GLN  83   6.182  13.646  -5.352
  631    H    ASP  84           H        ASP  84   8.203   8.165  -4.179
  632    HA   ASP  84           HA       ASP  84  10.678   7.714  -5.448
  633    HB2  ASP  84           2HB      ASP  84  10.375   8.548  -3.102
  634    HB3  ASP  84           3HB      ASP  84   9.808   6.963  -2.609
  635    H    ALA  85           H        ALA  85   8.369   5.540  -3.944
  636    HA   ALA  85           HA       ALA  85   9.897   3.180  -3.997
  637    HB1  ALA  85           3HB      ALA  85   8.019   3.565  -2.455
  638    HB2  ALA  85           1HB      ALA  85   7.808   2.066  -3.358
  639    HB3  ALA  85           2HB      ALA  85   6.886   3.505  -3.807
  640    H    LYS  86           H        LYS  86   7.336   4.366  -6.224
  641    HA   LYS  86           HA       LYS  86   7.379   2.018  -7.844
  642    HB2  LYS  86           2HB      LYS  86   6.045   3.253  -9.500
  643    HB3  LYS  86           3HB      LYS  86   5.387   3.406  -7.881
  644    HG2  LYS  86           2HG      LYS  86   6.108   5.671  -7.687
  645    HG3  LYS  86           3HG      LYS  86   7.118   5.553  -9.127
  646    HD2  LYS  86           2HD      LYS  86   4.078   5.362  -9.110
  647    HD3  LYS  86           3HD      LYS  86   4.997   6.813  -9.515
  648    HE2  LYS  86           2HE      LYS  86   6.067   5.538 -11.401
  649    HE3  LYS  86           3HE      LYS  86   4.993   4.184 -11.041
  650    HZ1  LYS  86           3HZ      LYS  86   4.082   6.909 -11.761
  651    HZ2  LYS  86           1HZ      LYS  86   3.115   5.539 -11.558
  652    HZ3  LYS  86           2HZ      LYS  86   4.207   5.619 -12.847
  653    H    LEU  87           H        LEU  87   9.097   5.162  -8.117
  654    HA   LEU  87           HA       LEU  87   9.951   4.705 -10.802
  655    HB2  LEU  87           2HB      LEU  87  11.265   6.713 -10.630
  656    HB3  LEU  87           3HB      LEU  87   9.733   6.970  -9.835
  657    HG   LEU  87           HG       LEU  87  11.114   6.495  -7.617
  658   HD11  LEU  87          1HD1      LEU  87  13.361   7.367  -9.465
  659   HD12  LEU  87          2HD1      LEU  87  13.229   5.813  -8.637
  660   HD13  LEU  87          3HD1      LEU  87  13.447   7.288  -7.702
  661   HD21  LEU  87          3HD2      LEU  87  11.609   8.898  -7.389
  662   HD22  LEU  87          1HD2      LEU  87  10.026   8.631  -8.119
  663   HD23  LEU  87          2HD2      LEU  87  11.390   9.114  -9.128
  664    H    LYS  88           H        LYS  88  11.471   4.066  -7.652
  665    HA   LYS  88           HA       LYS  88  13.931   3.106  -8.775
  666    HB2  LYS  88           2HB      LYS  88  14.567   2.454  -6.538
  667    HB3  LYS  88           3HB      LYS  88  13.793   4.021  -6.471
  668    HG2  LYS  88           2HG      LYS  88  12.972   2.979  -4.573
  669    HG3  LYS  88           3HG      LYS  88  11.664   2.723  -5.728
  670    HD2  LYS  88           2HD      LYS  88  12.350   0.412  -6.077
  671    HD3  LYS  88           3HD      LYS  88  13.820   0.657  -5.130
  672    HE2  LYS  88           2HE      LYS  88  11.007   0.853  -4.012
  673    HE3  LYS  88           3HE      LYS  88  12.029  -0.584  -3.909
  674    HZ1  LYS  88           3HZ      LYS  88  13.679   0.798  -2.726
  675    HZ2  LYS  88           1HZ      LYS  88  12.222   0.643  -1.892
  676    HZ3  LYS  88           2HZ      LYS  88  12.579   2.078  -2.711
  677    H    ALA  89           H        ALA  89  10.856   1.606  -7.889
  678    HA   ALA  89           HA       ALA  89  11.708  -1.110  -8.215
  679    HB1  ALA  89           3HB      ALA  89   9.771  -0.531  -6.825
  680    HB2  ALA  89           1HB      ALA  89   9.310  -1.661  -8.099
  681    HB3  ALA  89           2HB      ALA  89   8.905   0.053  -8.246
  682    H    GLU  90           H        GLU  90  10.511   1.360 -10.393
  683    HA   GLU  90           HA       GLU  90  10.266  -0.312 -12.704
  684    HB2  GLU  90           2HB      GLU  90  10.603   2.691 -12.391
  685    HB3  GLU  90           3HB      GLU  90  10.418   1.898 -13.957
  686    HG2  GLU  90           2HG      GLU  90   8.244   0.960 -13.179
  687    HG3  GLU  90           3HG      GLU  90   8.411   1.880 -11.687
  688    H    GLY  91           H        GLY  91  12.920   1.415 -11.162
  689    HA2  GLY  91           2HA      GLY  91  14.954   0.988 -13.062
  690    HA3  GLY  91           3HA      GLY  91  15.185   1.133 -11.325
  691    H    LEU  92           H        LEU  92  13.374  -1.253 -10.866
  692    HA   LEU  92           HA       LEU  92  15.314  -3.343 -10.895
  693    HB2  LEU  92           2HB      LEU  92  12.312  -3.481 -10.453
  694    HB3  LEU  92           3HB      LEU  92  13.414  -4.820 -10.175
  695    HG   LEU  92           HG       LEU  92  13.516  -2.181  -8.657
  696   HD11  LEU  92          1HD1      LEU  92  12.515  -3.399  -6.772
  697   HD12  LEU  92          2HD1      LEU  92  12.321  -4.831  -7.787
  698   HD13  LEU  92          3HD1      LEU  92  11.430  -3.353  -8.161
  699   HD21  LEU  92          3HD2      LEU  92  15.693  -3.315  -8.704
  700   HD22  LEU  92          1HD2      LEU  92  14.949  -4.817  -8.143
  701   HD23  LEU  92          2HD2      LEU  92  14.992  -3.400  -7.091
  702    H    GLU  93           H        GLU  93  12.175  -3.029 -12.726
  703    HA   GLU  93           HA       GLU  93  13.240  -4.577 -14.940
  704    HB2  GLU  93           2HB      GLU  93  11.650  -6.490 -14.683
  705    HB3  GLU  93           3HB      GLU  93  12.841  -6.402 -13.391
  706    HG2  GLU  93           2HG      GLU  93  11.196  -5.466 -11.856
  707    HG3  GLU  93           3HG      GLU  93   9.995  -5.381 -13.149
  708    H    HIS  94           H        HIS  94  11.766  -1.953 -14.622
  709    HA   HIS  94           HA       HIS  94   9.363  -2.309 -16.214
  710    HB2  HIS  94           2HB      HIS  94   9.653  -0.263 -14.860
  711    HB3  HIS  94           3HB      HIS  94  11.071   0.186 -15.798
  712    HD1  HIS  94           HD1      HIS  94   7.332  -0.314 -16.301
  713    HD2  HIS  94           HD2      HIS  94  10.495   1.790 -17.968
  714    HE1  HIS  94           HE1      HIS  94   6.296   1.236 -17.972
  715    HE2  HIS  94           HE2      HIS  94   8.248   2.322 -19.123
  716    H    HIS  95           H        HIS  95  12.759  -2.246 -16.808
  717    HA   HIS  95           HA       HIS  95  12.794  -1.719 -19.604
  718    HB2  HIS  95           2HB      HIS  95  14.815  -1.564 -18.157
  719    HB3  HIS  95           3HB      HIS  95  14.765  -3.301 -17.890
  720    HD1  HIS  95           HD1      HIS  95  15.627  -4.824 -19.786
  721    HD2  HIS  95           HD2      HIS  95  15.823  -0.773 -20.685
  722    HE1  HIS  95           HE1      HIS  95  17.084  -4.657 -21.822
  723    HE2  HIS  95           HE2      HIS  95  17.093  -2.210 -22.409
  724    H    HIS  96           H        HIS  96  10.955  -2.944 -20.290
  725    HA   HIS  96           HA       HIS  96  10.746  -5.778 -20.035
  726    HB2  HIS  96           2HB      HIS  96   8.937  -5.537 -21.781
  727    HB3  HIS  96           3HB      HIS  96   8.722  -4.511 -20.374
  728    HD1  HIS  96           HD1      HIS  96   8.654  -1.981 -20.756
  729    HD2  HIS  96           HD2      HIS  96   9.629  -4.094 -24.197
  730    HE1  HIS  96           HE1      HIS  96   8.448  -0.339 -22.643
  731    HE2  HIS  96           HE2      HIS  96   9.157  -1.606 -24.692
  732    H    HIS  97           H        HIS  97  11.638  -7.351 -21.266
  733    HA   HIS  97           HA       HIS  97  13.629  -6.748 -23.218
  734    HB2  HIS  97           2HB      HIS  97  13.846  -8.729 -21.794
  735    HB3  HIS  97           3HB      HIS  97  12.365  -9.412 -22.451
  736    HD1  HIS  97           HD1      HIS  97  12.524 -10.659 -24.652
  737    HD2  HIS  97           HD2      HIS  97  16.091  -8.799 -23.602
  738    HE1  HIS  97           HE1      HIS  97  14.243 -11.549 -26.249
  739    HE2  HIS  97           HE2      HIS  97  16.358 -10.309 -25.684
  740    H    HIS  98           H        HIS  98  13.072  -5.924 -25.127
  741    HA   HIS  98           HA       HIS  98  10.500  -5.948 -26.222
  742    HB2  HIS  98           2HB      HIS  98  11.472  -4.830 -28.190
  743    HB3  HIS  98           3HB      HIS  98  12.098  -4.149 -26.695
  744    HD1  HIS  98           HD1      HIS  98  13.135  -5.750 -29.847
  745    HD2  HIS  98           HD2      HIS  98  14.889  -4.778 -26.205
  746    HE1  HIS  98           HE1      HIS  98  15.608  -5.923 -30.225
  747    HE2  HIS  98           HE2      HIS  98  16.652  -5.388 -27.997
  748    H    HIS  99           H        HIS  99   9.431  -7.256 -27.581
  749    HA   HIS  99           HA       HIS  99  10.631  -9.798 -28.399
  750    HB2  HIS  99           2HB      HIS  99   7.736  -8.823 -28.574
  751    HB3  HIS  99           3HB      HIS  99   8.284 -10.450 -28.957
  752    HD1  HIS  99           HD1      HIS  99   8.497 -12.081 -27.033
  753    HD2  HIS  99           HD2      HIS  99   7.818  -8.187 -25.755
  754    HE1  HIS  99           HE1      HIS  99   7.989 -12.253 -24.578
  755    HE2  HIS  99           HE2      HIS  99   7.627  -9.879 -23.816
  Start of MODEL    9
    1    H1   GLU   1           1H       GLU   1 -13.767  -4.301  21.064
    2    H2   GLU   1           2H       GLU   1 -15.218  -3.580  20.595
    3    H3   GLU   1           3H       GLU   1 -14.072  -2.698  21.472
    4    HA   GLU   1           HA       GLU   1 -14.117  -2.094  19.139
    5    HB2  GLU   1           2HB      GLU   1 -11.681  -2.220  18.727
    6    HB3  GLU   1           3HB      GLU   1 -12.017  -1.787  20.394
    7    HG2  GLU   1           2HG      GLU   1 -11.283  -4.596  19.507
    8    HG3  GLU   1           3HG      GLU   1 -10.104  -3.398  20.030
    9    H    ASP   2           H        ASP   2 -13.129  -2.749  16.982
   10    HA   ASP   2           HA       ASP   2 -13.553  -5.565  16.248
   11    HB2  ASP   2           2HB      ASP   2 -15.135  -3.206  15.129
   12    HB3  ASP   2           3HB      ASP   2 -14.944  -4.695  14.213
   13    HA   PRO   3           HA       PRO   3 -10.276  -4.477  13.290
   14    HB2  PRO   3           2HB      PRO   3 -10.241  -6.668  11.731
   15    HB3  PRO   3           3HB      PRO   3  -9.800  -6.779  13.445
   16    HG2  PRO   3           2HG      PRO   3 -12.437  -7.426  12.127
   17    HG3  PRO   3           3HG      PRO   3 -11.516  -8.393  13.295
   18    HD2  PRO   3           2HD      PRO   3 -13.623  -6.774  14.008
   19    HD3  PRO   3           3HD      PRO   3 -12.278  -7.157  15.108
   20    H    GLU   4           H        GLU   4 -13.534  -4.369  12.616
   21    HA   GLU   4           HA       GLU   4 -13.647  -4.032   9.805
   22    HB2  GLU   4           2HB      GLU   4 -15.413  -2.814  11.968
   23    HB3  GLU   4           3HB      GLU   4 -15.808  -2.882  10.252
   24    HG2  GLU   4           2HG      GLU   4 -15.878  -5.356  10.359
   25    HG3  GLU   4           3HG      GLU   4 -15.451  -5.287  12.072
   26    H    ASP   5           H        ASP   5 -12.686  -1.957  12.430
   27    HA   ASP   5           HA       ASP   5 -12.693   0.563  11.208
   28    HB2  ASP   5           2HB      ASP   5 -12.377   0.230  13.637
   29    HB3  ASP   5           3HB      ASP   5 -10.845  -0.578  13.345
   30    HA   PRO   6           HA       PRO   6  -9.681   0.093   7.964
   31    HB2  PRO   6           2HB      PRO   6  -8.761   2.703   7.714
   32    HB3  PRO   6           3HB      PRO   6 -10.310   2.128   7.076
   33    HG2  PRO   6           2HG      PRO   6  -9.755   3.536   9.692
   34    HG3  PRO   6           3HG      PRO   6 -11.025   3.875   8.489
   35    HD2  PRO   6           2HD      PRO   6 -11.597   2.482  10.689
   36    HD3  PRO   6           3HD      PRO   6 -12.296   1.994   9.128
   37    H    PHE   7           H        PHE   7  -8.444   2.257  10.569
   38    HA   PHE   7           HA       PHE   7  -5.716   1.739  10.113
   39    HB2  PHE   7           2HB      PHE   7  -6.768   3.713  11.351
   40    HB3  PHE   7           3HB      PHE   7  -6.937   2.656  12.738
   41    HD1  PHE   7           HD2      PHE   7  -4.908   1.930  14.013
   42    HD2  PHE   7           HD1      PHE   7  -4.589   4.584  10.668
   43    HE1  PHE   7           HE2      PHE   7  -2.623   2.527  14.691
   44    HE2  PHE   7           HE1      PHE   7  -2.299   5.168  11.363
   45    HZ   PHE   7           HZ       PHE   7  -1.319   4.141  13.374
   46    H    THR   8           H        THR   8  -8.123   0.108  12.113
   47    HA   THR   8           HA       THR   8  -6.336  -1.376  13.743
   48    HB   THR   8           HB       THR   8  -9.260  -1.933  13.064
   49    HG1  THR   8           HG1      THR   8  -8.715   0.053  14.202
   50   HG21  THR   8          3HG2      THR   8  -8.190  -4.006  13.889
   51   HG22  THR   8          1HG2      THR   8  -9.291  -3.354  15.106
   52   HG23  THR   8          2HG2      THR   8  -7.546  -3.136  15.283
   53    H    ARG   9           H        ARG   9  -8.133  -2.269  10.735
   54    HA   ARG   9           HA       ARG   9  -6.953  -4.908  10.602
   55    HB2  ARG   9           2HB      ARG   9  -8.130  -5.182   8.503
   56    HB3  ARG   9           3HB      ARG   9  -9.196  -4.433   9.681
   57    HG2  ARG   9           2HG      ARG   9  -8.243  -2.205   8.446
   58    HG3  ARG   9           3HG      ARG   9  -8.128  -3.355   7.116
   59    HD2  ARG   9           2HD      ARG   9 -10.609  -2.552   8.667
   60    HD3  ARG   9           3HD      ARG   9 -10.257  -2.241   6.962
   61    HE   ARG   9           HE       ARG   9 -10.273  -5.016   7.338
   62   HH11  ARG   9          1HH1      ARG   9 -12.582  -2.352   7.436
   63   HH12  ARG   9          2HH1      ARG   9 -13.937  -3.381   7.088
   64   HH21  ARG   9          1HH2      ARG   9 -12.075  -6.313   6.934
   65   HH22  ARG   9          2HH2      ARG   9 -13.649  -5.603   6.815
   66    H    TYR  10           H        TYR  10  -6.161  -1.766   9.406
   67    HA   TYR  10           HA       TYR  10  -4.151  -2.369   7.506
   68    HB2  TYR  10           2HB      TYR  10  -5.183  -0.177   7.634
   69    HB3  TYR  10           3HB      TYR  10  -4.678   0.031   9.299
   70    HD1  TYR  10           HD2      TYR  10  -3.086  -0.559   5.918
   71    HD2  TYR  10           HD1      TYR  10  -2.905   1.499   9.663
   72    HE1  TYR  10           HE2      TYR  10  -1.115   0.695   5.152
   73    HE2  TYR  10           HE1      TYR  10  -0.945   2.744   8.886
   74    HH   TYR  10           HH       TYR  10   0.008   2.831   5.661
   75    H    ALA  11           H        ALA  11  -4.020  -1.692  10.992
   76    HA   ALA  11           HA       ALA  11  -1.208  -2.079  11.329
   77    HB1  ALA  11           3HB      ALA  11  -3.446  -2.120  13.390
   78    HB2  ALA  11           1HB      ALA  11  -2.535  -0.696  12.872
   79    HB3  ALA  11           2HB      ALA  11  -1.720  -1.996  13.739
   80    H    LEU  12           H        LEU  12  -4.065  -4.097  11.624
   81    HA   LEU  12           HA       LEU  12  -2.955  -6.410  12.817
   82    HB2  LEU  12           2HB      LEU  12  -5.380  -5.955  12.712
   83    HB3  LEU  12           3HB      LEU  12  -5.350  -6.086  10.963
   84    HG   LEU  12           HG       LEU  12  -4.725  -8.517  11.206
   85   HD11  LEU  12          1HD1      LEU  12  -5.039  -9.637  13.379
   86   HD12  LEU  12          2HD1      LEU  12  -5.254  -8.070  14.161
   87   HD13  LEU  12          3HD1      LEU  12  -3.705  -8.486  13.426
   88   HD21  LEU  12          3HD2      LEU  12  -6.971  -9.301  11.854
   89   HD22  LEU  12          1HD2      LEU  12  -7.057  -7.897  10.790
   90   HD23  LEU  12          2HD2      LEU  12  -7.340  -7.710  12.523
   91    H    ALA  13           H        ALA  13  -3.273  -5.299   9.499
   92    HA   ALA  13           HA       ALA  13  -2.373  -7.601   8.140
   93    HB1  ALA  13           3HB      ALA  13  -2.237  -4.690   7.283
   94    HB2  ALA  13           1HB      ALA  13  -3.596  -5.784   7.024
   95    HB3  ALA  13           2HB      ALA  13  -2.055  -6.088   6.223
   96    H    GLN  14           H        GLN  14  -0.660  -4.747   9.399
   97    HA   GLN  14           HA       GLN  14   1.960  -5.456   8.595
   98    HB2  GLN  14           2HB      GLN  14   1.124  -3.813  11.022
   99    HB3  GLN  14           3HB      GLN  14   2.715  -3.800  10.257
  100    HG2  GLN  14           2HG      GLN  14   1.757  -2.829   8.220
  101    HG3  GLN  14           3HG      GLN  14   0.139  -2.925   8.907
  102   HE21  GLN  14          1HE2      GLN  14  -0.268  -0.726   8.799
  103   HE22  GLN  14          2HE2      GLN  14   0.565   0.435   9.771
  104    H    GLU  15           H        GLU  15   0.065  -6.321  11.475
  105    HA   GLU  15           HA       GLU  15   2.093  -7.766  12.836
  106    HB2  GLU  15           2HB      GLU  15  -0.919  -8.229  12.965
  107    HB3  GLU  15           3HB      GLU  15   0.267  -8.826  14.122
  108    HG2  GLU  15           2HG      GLU  15  -0.559  -5.953  13.640
  109    HG3  GLU  15           3HG      GLU  15  -0.850  -6.927  15.079
  110    H    HIS  16           H        HIS  16  -0.317  -8.696  10.424
  111    HA   HIS  16           HA       HIS  16   0.296 -11.438  10.259
  112    HB2  HIS  16           2HB      HIS  16  -0.846  -9.549   8.169
  113    HB3  HIS  16           3HB      HIS  16  -0.724 -11.292   7.934
  114    HD1  HIS  16           HD1      HIS  16  -1.652 -12.125  10.833
  115    HD2  HIS  16           HD2      HIS  16  -3.606  -9.417   8.366
  116    HE1  HIS  16           HE1      HIS  16  -4.016 -12.074  11.635
  117    HE2  HIS  16           HE2      HIS  16  -5.197 -10.476  10.096
  118    H    LEU  17           H        LEU  17   1.728  -8.634   8.556
  119    HA   LEU  17           HA       LEU  17   3.381  -9.974   6.769
  120    HB2  LEU  17           2HB      LEU  17   3.670  -7.291   8.140
  121    HB3  LEU  17           3HB      LEU  17   4.820  -7.840   6.931
  122    HG   LEU  17           HG       LEU  17   1.848  -7.374   6.451
  123   HD11  LEU  17          1HD1      LEU  17   2.543  -5.491   5.053
  124   HD12  LEU  17          2HD1      LEU  17   4.231  -5.774   5.482
  125   HD13  LEU  17          3HD1      LEU  17   3.080  -5.264   6.720
  126   HD21  LEU  17          3HD2      LEU  17   2.384  -7.785   4.075
  127   HD22  LEU  17          1HD2      LEU  17   2.662  -9.215   5.066
  128   HD23  LEU  17          2HD2      LEU  17   4.029  -8.237   4.522
  129    H    LYS  18           H        LYS  18   4.127  -8.902  10.098
  130    HA   LYS  18           HA       LYS  18   6.797  -9.953  10.104
  131    HB2  LYS  18           2HB      LYS  18   6.863  -9.302  12.453
  132    HB3  LYS  18           3HB      LYS  18   6.093  -8.031  11.512
  133    HG2  LYS  18           2HG      LYS  18   3.862  -8.940  12.252
  134    HG3  LYS  18           3HG      LYS  18   4.727 -10.043  13.321
  135    HD2  LYS  18           2HD      LYS  18   3.957  -8.115  14.593
  136    HD3  LYS  18           3HD      LYS  18   5.720  -8.092  14.506
  137    HE2  LYS  18           2HE      LYS  18   5.668  -6.340  12.829
  138    HE3  LYS  18           3HE      LYS  18   3.913  -6.463  12.683
  139    HZ1  LYS  18           3HZ      LYS  18   5.343  -5.642  15.148
  140    HZ2  LYS  18           1HZ      LYS  18   3.665  -5.649  14.902
  141    HZ3  LYS  18           2HZ      LYS  18   4.649  -4.576  14.039
  142    H    HIS  19           H        HIS  19   3.668 -11.324  10.793
  143    HA   HIS  19           HA       HIS  19   4.798 -13.818  11.860
  144    HB2  HIS  19           2HB      HIS  19   1.980 -12.767  11.527
  145    HB3  HIS  19           3HB      HIS  19   2.249 -14.487  11.778
  146    HD1  HIS  19           HD1      HIS  19   3.169 -15.223  14.097
  147    HD2  HIS  19           HD2      HIS  19   2.315 -11.168  13.829
  148    HE1  HIS  19           HE1      HIS  19   3.120 -14.391  16.462
  149    HE2  HIS  19           HE2      HIS  19   2.784 -11.912  16.251
  150    H    ASP  20           H        ASP  20   4.881 -12.658   8.922
  151    HA   ASP  20           HA       ASP  20   5.392 -13.546   6.923
  152    HB2  ASP  20           2HB      ASP  20   6.459 -15.389   8.258
  153    HB3  ASP  20           3HB      ASP  20   4.960 -16.299   8.144
  154    H    ASN  21           H        ASN  21   2.393 -13.691   8.231
  155    HA   ASN  21           HA       ASN  21   0.881 -15.029   6.172
  156    HB2  ASN  21           2HB      ASN  21  -0.080 -13.098   8.331
  157    HB3  ASN  21           3HB      ASN  21  -1.096 -14.172   7.387
  158   HD21  ASN  21          1HD2      ASN  21   0.551 -16.503   7.589
  159   HD22  ASN  21          2HD2      ASN  21   0.467 -17.044   9.224
  160    H    ALA  22           H        ALA  22   2.254 -13.605   4.590
  161    HA   ALA  22           HA       ALA  22   1.693 -10.863   4.195
  162    HB1  ALA  22           3HB      ALA  22   2.867 -11.168   2.047
  163    HB2  ALA  22           1HB      ALA  22   2.810 -12.921   2.260
  164    HB3  ALA  22           2HB      ALA  22   3.747 -11.924   3.374
  165    H    SER  23           H        SER  23   0.307 -13.843   2.920
  166    HA   SER  23           HA       SER  23  -1.477 -12.893   1.010
  167    HB2  SER  23           2HB      SER  23  -2.752 -15.033   1.525
  168    HB3  SER  23           3HB      SER  23  -1.027 -15.269   1.249
  169    HG   SER  23           HG       SER  23  -2.261 -16.171   3.263
  170    H    ARG  24           H        ARG  24  -2.078 -13.445   4.534
  171    HA   ARG  24           HA       ARG  24  -4.728 -12.539   4.640
  172    HB2  ARG  24           2HB      ARG  24  -2.547 -12.527   6.777
  173    HB3  ARG  24           3HB      ARG  24  -4.255 -12.265   7.109
  174    HG2  ARG  24           2HG      ARG  24  -3.160 -14.810   5.878
  175    HG3  ARG  24           3HG      ARG  24  -3.383 -14.577   7.614
  176    HD2  ARG  24           2HD      ARG  24  -5.802 -14.210   7.248
  177    HD3  ARG  24           3HD      ARG  24  -5.579 -14.475   5.514
  178    HE   ARG  24           HE       ARG  24  -4.561 -16.742   6.579
  179   HH11  ARG  24          1HH1      ARG  24  -7.654 -15.145   7.077
  180   HH12  ARG  24          2HH1      ARG  24  -8.489 -16.624   7.422
  181   HH21  ARG  24          1HH2      ARG  24  -5.695 -18.674   7.024
  182   HH22  ARG  24          2HH2      ARG  24  -7.391 -18.612   7.399
  183    H    ALA  25           H        ALA  25  -1.644 -10.877   5.077
  184    HA   ALA  25           HA       ALA  25  -2.574  -8.314   5.804
  185    HB1  ALA  25           3HB      ALA  25  -0.295  -7.588   5.246
  186    HB2  ALA  25           1HB      ALA  25   0.005  -9.128   4.427
  187    HB3  ALA  25           2HB      ALA  25  -0.267  -9.090   6.172
  188    H    LEU  26           H        LEU  26  -1.952  -9.865   2.710
  189    HA   LEU  26           HA       LEU  26  -1.954  -7.575   1.046
  190    HB2  LEU  26           2HB      LEU  26  -1.007  -9.862   0.467
  191    HB3  LEU  26           3HB      LEU  26  -2.653 -10.428   0.248
  192    HG   LEU  26           HG       LEU  26  -2.934  -8.744  -1.614
  193   HD11  LEU  26          1HD1      LEU  26  -0.945  -7.665  -2.572
  194   HD12  LEU  26          2HD1      LEU  26   0.043  -8.279  -1.249
  195   HD13  LEU  26          3HD1      LEU  26  -1.236  -7.108  -0.926
  196   HD21  LEU  26          3HD2      LEU  26  -2.350 -11.086  -2.138
  197   HD22  LEU  26          1HD2      LEU  26  -0.633 -10.696  -1.994
  198   HD23  LEU  26          2HD2      LEU  26  -1.600  -9.971  -3.281
  199    H    ALA  27           H        ALA  27  -4.400 -10.056   1.704
  200    HA   ALA  27           HA       ALA  27  -6.567  -9.046   0.308
  201    HB1  ALA  27           3HB      ALA  27  -6.624 -10.580   2.929
  202    HB2  ALA  27           1HB      ALA  27  -6.485 -11.292   1.321
  203    HB3  ALA  27           2HB      ALA  27  -7.958 -10.436   1.780
  204    H    LEU  28           H        LEU  28  -5.554  -8.277   3.663
  205    HA   LEU  28           HA       LEU  28  -7.723  -6.595   4.317
  206    HB2  LEU  28           2HB      LEU  28  -4.894  -6.715   5.403
  207    HB3  LEU  28           3HB      LEU  28  -6.106  -5.625   6.060
  208    HG   LEU  28           HG       LEU  28  -6.317  -8.671   6.041
  209   HD11  LEU  28          1HD1      LEU  28  -5.826  -6.789   8.365
  210   HD12  LEU  28          2HD1      LEU  28  -4.631  -7.867   7.641
  211   HD13  LEU  28          3HD1      LEU  28  -6.035  -8.539   8.472
  212   HD21  LEU  28          3HD2      LEU  28  -8.319  -8.359   7.446
  213   HD22  LEU  28          1HD2      LEU  28  -8.538  -7.622   5.859
  214   HD23  LEU  28          2HD2      LEU  28  -8.190  -6.607   7.263
  215    H    PHE  29           H        PHE  29  -4.516  -5.769   2.937
  216    HA   PHE  29           HA       PHE  29  -4.932  -2.959   2.909
  217    HB2  PHE  29           2HB      PHE  29  -3.023  -4.684   1.294
  218    HB3  PHE  29           3HB      PHE  29  -3.011  -2.928   1.266
  219    HD1  PHE  29           HD1      PHE  29  -3.267  -2.243   4.159
  220    HD2  PHE  29           HD2      PHE  29  -0.965  -5.301   2.247
  221    HE1  PHE  29           HE1      PHE  29  -1.627  -2.183   6.000
  222    HE2  PHE  29           HE2      PHE  29   0.656  -5.238   4.099
  223    HZ   PHE  29           HZ       PHE  29   0.330  -3.683   5.974
  224    H    GLU  30           H        GLU  30  -5.309  -5.449   0.370
  225    HA   GLU  30           HA       GLU  30  -6.148  -3.861  -1.762
  226    HB2  GLU  30           2HB      GLU  30  -6.958  -6.712  -1.065
  227    HB3  GLU  30           3HB      GLU  30  -7.286  -5.944  -2.615
  228    HG2  GLU  30           2HG      GLU  30  -4.874  -5.751  -3.057
  229    HG3  GLU  30           3HG      GLU  30  -4.514  -6.450  -1.483
  230    H    GLU  31           H        GLU  31  -8.026  -5.295   0.881
  231    HA   GLU  31           HA       GLU  31 -10.585  -4.512  -0.061
  232    HB2  GLU  31           2HB      GLU  31 -10.294  -6.364   1.523
  233    HB3  GLU  31           3HB      GLU  31  -9.685  -5.260   2.752
  234    HG2  GLU  31           2HG      GLU  31 -11.837  -4.187   2.965
  235    HG3  GLU  31           3HG      GLU  31 -12.462  -5.041   1.552
  236    H    LEU  32           H        LEU  32  -8.189  -2.998   2.031
  237    HA   LEU  32           HA       LEU  32  -9.707  -0.826   2.968
  238    HB2  LEU  32           2HB      LEU  32  -6.745  -1.270   2.609
  239    HB3  LEU  32           3HB      LEU  32  -7.347   0.279   3.176
  240    HG   LEU  32           HG       LEU  32  -7.955  -2.345   4.593
  241   HD11  LEU  32          1HD1      LEU  32  -6.239  -1.731   6.241
  242   HD12  LEU  32          2HD1      LEU  32  -5.787  -0.337   5.257
  243   HD13  LEU  32          3HD1      LEU  32  -5.530  -1.970   4.641
  244   HD21  LEU  32          3HD2      LEU  32  -8.254   0.549   5.467
  245   HD22  LEU  32          1HD2      LEU  32  -8.591  -0.872   6.460
  246   HD23  LEU  32          2HD2      LEU  32  -9.567  -0.548   5.031
  247    H    VAL  33           H        VAL  33  -7.824  -1.228  -0.018
  248    HA   VAL  33           HA       VAL  33  -8.029   1.472  -0.889
  249    HB   VAL  33           HB       VAL  33  -7.385  -1.106  -2.378
  250   HG11  VAL  33          1HG1      VAL  33  -7.207   1.717  -3.499
  251   HG12  VAL  33          2HG1      VAL  33  -8.316   0.454  -4.033
  252   HG13  VAL  33          3HG1      VAL  33  -6.583   0.259  -4.283
  253   HG21  VAL  33          3HG2      VAL  33  -5.711  -0.404  -0.727
  254   HG22  VAL  33          1HG2      VAL  33  -5.619   1.196  -1.465
  255   HG23  VAL  33          2HG2      VAL  33  -5.065  -0.224  -2.358
  256    H    GLU  34           H        GLU  34  -9.882  -1.472  -1.809
  257    HA   GLU  34           HA       GLU  34 -11.561  -0.187  -3.676
  258    HB2  GLU  34           2HB      GLU  34 -12.920  -2.231  -3.630
  259    HB3  GLU  34           3HB      GLU  34 -11.200  -2.599  -3.703
  260    HG2  GLU  34           2HG      GLU  34 -11.270  -2.975  -1.208
  261    HG3  GLU  34           3HG      GLU  34 -13.023  -2.816  -1.297
  262    H    THR  35           H        THR  35 -11.936  -0.593  -0.150
  263    HA   THR  35           HA       THR  35 -14.653   0.488  -0.180
  264    HB   THR  35           HB       THR  35 -14.576   0.163   2.290
  265    HG1  THR  35           HG1      THR  35 -12.364   0.469   2.683
  266   HG21  THR  35          3HG2      THR  35 -14.471  -2.289   2.314
  267   HG22  THR  35          1HG2      THR  35 -13.649  -2.278   0.748
  268   HG23  THR  35          2HG2      THR  35 -15.314  -1.707   0.877
  269    H    ASP  36           H        ASP  36 -11.384   1.541   0.501
  270    HA   ASP  36           HA       ASP  36 -12.297   4.324   0.939
  271    HB2  ASP  36           2HB      ASP  36 -10.116   2.962   2.578
  272    HB3  ASP  36           3HB      ASP  36 -10.572   4.660   2.689
  273    HA   PRO  37           HA       PRO  37  -9.069   4.056  -2.476
  274    HB2  PRO  37           2HB      PRO  37 -10.787   6.303  -3.500
  275    HB3  PRO  37           3HB      PRO  37 -10.124   4.914  -4.372
  276    HG2  PRO  37           2HG      PRO  37 -12.723   4.991  -3.749
  277    HG3  PRO  37           3HG      PRO  37 -11.811   3.468  -3.612
  278    HD2  PRO  37           2HD      PRO  37 -12.593   5.408  -1.427
  279    HD3  PRO  37           3HD      PRO  37 -12.703   3.632  -1.442
  280    H    ASP  38           H        ASP  38 -10.202   6.386  -0.260
  281    HA   ASP  38           HA       ASP  38  -8.271   8.484  -0.944
  282    HB2  ASP  38           2HB      ASP  38  -9.539   9.864   0.618
  283    HB3  ASP  38           3HB      ASP  38 -10.651   9.069  -0.483
  284    H    TYR  39           H        TYR  39  -7.591   5.759   0.476
  285    HA   TYR  39           HA       TYR  39  -6.538   6.828   3.034
  286    HB2  TYR  39           2HB      TYR  39  -8.235   4.817   3.052
  287    HB3  TYR  39           3HB      TYR  39  -6.886   3.855   2.455
  288    HD1  TYR  39           HD2      TYR  39  -4.864   3.498   3.928
  289    HD2  TYR  39           HD1      TYR  39  -8.299   5.572   5.388
  290    HE1  TYR  39           HE2      TYR  39  -4.043   3.219   6.222
  291    HE2  TYR  39           HE1      TYR  39  -7.474   5.302   7.685
  292    HH   TYR  39           HH       TYR  39  -6.011   3.994   8.984
  293    H    VAL  40           H        VAL  40  -4.625   7.646   2.228
  294    HA   VAL  40           HA       VAL  40  -3.103   6.553   0.107
  295    HB   VAL  40           HB       VAL  40  -2.175   8.520   2.255
  296   HG11  VAL  40          1HG1      VAL  40  -0.606   9.343   0.501
  297   HG12  VAL  40          2HG1      VAL  40  -1.131   8.035  -0.561
  298   HG13  VAL  40          3HG1      VAL  40  -0.295   7.663   0.947
  299   HG21  VAL  40          3HG2      VAL  40  -4.255   9.303   1.200
  300   HG22  VAL  40          1HG2      VAL  40  -3.533   9.105  -0.397
  301   HG23  VAL  40          2HG2      VAL  40  -2.893  10.314   0.717
  302    H    GLY  41           H        GLY  41  -2.854   6.187   3.629
  303    HA2  GLY  41           2HA      GLY  41  -0.209   5.263   3.880
  304    HA3  GLY  41           3HA      GLY  41  -1.516   4.939   5.007
  305    H    THR  42           H        THR  42  -3.204   3.511   3.211
  306    HA   THR  42           HA       THR  42  -2.209   0.888   3.353
  307    HB   THR  42           HB       THR  42  -4.568   2.052   1.820
  308    HG1  THR  42           HG1      THR  42  -5.707   1.316   3.566
  309   HG21  THR  42          3HG2      THR  42  -3.870  -0.868   2.287
  310   HG22  THR  42          1HG2      THR  42  -3.861  -0.046   0.724
  311   HG23  THR  42          2HG2      THR  42  -5.378  -0.264   1.595
  312    H    TYR  43           H        TYR  43  -2.402   3.195   0.604
  313    HA   TYR  43           HA       TYR  43  -1.787   1.419  -1.463
  314    HB2  TYR  43           2HB      TYR  43  -1.346   4.407  -1.220
  315    HB3  TYR  43           3HB      TYR  43  -0.920   3.523  -2.683
  316    HD1  TYR  43           HD2      TYR  43  -2.676   2.573  -4.144
  317    HD2  TYR  43           HD1      TYR  43  -3.733   4.773  -0.637
  318    HE1  TYR  43           HE2      TYR  43  -4.971   2.802  -4.975
  319    HE2  TYR  43           HE1      TYR  43  -6.032   4.985  -1.480
  320    HH   TYR  43           HH       TYR  43  -7.201   4.931  -3.639
  321    H    TYR  44           H        TYR  44   0.457   3.473   0.445
  322    HA   TYR  44           HA       TYR  44   2.858   2.662  -0.590
  323    HB2  TYR  44           2HB      TYR  44   2.530   4.438   1.162
  324    HB3  TYR  44           3HB      TYR  44   2.337   3.170   2.373
  325    HD1  TYR  44           HD1      TYR  44   4.761   4.455  -0.202
  326    HD2  TYR  44           HD2      TYR  44   4.303   2.304   3.467
  327    HE1  TYR  44           HE1      TYR  44   7.202   4.358   0.056
  328    HE2  TYR  44           HE2      TYR  44   6.739   2.223   3.731
  329    HH   TYR  44           HH       TYR  44   8.852   4.104   1.892
  330    H    HIS  45           H        HIS  45   1.359   1.205   2.320
  331    HA   HIS  45           HA       HIS  45   3.258  -0.869   2.595
  332    HB2  HIS  45           2HB      HIS  45   0.496  -0.509   3.799
  333    HB3  HIS  45           3HB      HIS  45   1.508  -1.896   4.195
  334    HD1  HIS  45           HD1      HIS  45   2.778  -1.557   6.292
  335    HD2  HIS  45           HD2      HIS  45   2.157   2.030   4.280
  336    HE1  HIS  45           HE1      HIS  45   3.803   0.226   7.732
  337    HE2  HIS  45           HE2      HIS  45   3.329   2.375   6.548
  338    H    LEU  46           H        LEU  46   0.338  -0.757   0.728
  339    HA   LEU  46           HA       LEU  46   0.045  -3.571   0.268
  340    HB2  LEU  46           2HB      LEU  46  -1.872  -2.067   0.082
  341    HB3  LEU  46           3HB      LEU  46  -1.081  -1.154  -1.192
  342    HG   LEU  46           HG       LEU  46  -1.294  -3.050  -2.746
  343   HD11  LEU  46          1HD1      LEU  46  -1.065  -4.918  -1.142
  344   HD12  LEU  46          2HD1      LEU  46  -2.473  -5.109  -2.181
  345   HD13  LEU  46          3HD1      LEU  46  -2.677  -4.572  -0.516
  346   HD21  LEU  46          3HD2      LEU  46  -3.176  -1.484  -2.640
  347   HD22  LEU  46          1HD2      LEU  46  -3.926  -2.447  -1.362
  348   HD23  LEU  46          2HD2      LEU  46  -3.741  -3.118  -2.986
  349    H    GLY  47           H        GLY  47   1.533  -0.839  -1.478
  350    HA2  GLY  47           2HA      GLY  47   2.289  -2.305  -3.804
  351    HA3  GLY  47           3HA      GLY  47   2.873  -0.725  -3.307
  352    H    LYS  48           H        LYS  48   3.966  -1.335  -0.832
  353    HA   LYS  48           HA       LYS  48   6.539  -2.299  -1.390
  354    HB2  LYS  48           2HB      LYS  48   5.096  -2.002   1.278
  355    HB3  LYS  48           3HB      LYS  48   6.821  -2.316   1.126
  356    HG2  LYS  48           2HG      LYS  48   5.466   0.153  -0.011
  357    HG3  LYS  48           3HG      LYS  48   6.178   0.094   1.603
  358    HD2  LYS  48           2HD      LYS  48   7.711  -0.402  -0.991
  359    HD3  LYS  48           3HD      LYS  48   7.674   1.133  -0.122
  360    HE2  LYS  48           2HE      LYS  48   8.778  -1.486   0.958
  361    HE3  LYS  48           3HE      LYS  48   9.732  -0.115   0.388
  362    HZ1  LYS  48           3HZ      LYS  48   9.577  -0.135   2.786
  363    HZ2  LYS  48           1HZ      LYS  48   7.892  -0.104   2.719
  364    HZ3  LYS  48           2HZ      LYS  48   8.785   1.225   2.174
  365    H    LEU  49           H        LEU  49   3.693  -3.843   0.018
  366    HA   LEU  49           HA       LEU  49   4.803  -6.366   0.616
  367    HB2  LEU  49           2HB      LEU  49   2.726  -5.593   1.587
  368    HB3  LEU  49           3HB      LEU  49   1.960  -5.488   0.014
  369    HG   LEU  49           HG       LEU  49   1.789  -7.887  -0.170
  370   HD11  LEU  49          1HD1      LEU  49   3.961  -8.594   0.670
  371   HD12  LEU  49          2HD1      LEU  49   2.690  -9.439   1.549
  372   HD13  LEU  49          3HD1      LEU  49   3.535  -8.087   2.304
  373   HD21  LEU  49          3HD2      LEU  49   1.110  -7.063   2.676
  374   HD22  LEU  49          1HD2      LEU  49   0.449  -8.461   1.818
  375   HD23  LEU  49          2HD2      LEU  49   0.090  -6.831   1.253
  376    H    TYR  50           H        TYR  50   3.116  -5.153  -2.291
  377    HA   TYR  50           HA       TYR  50   3.185  -7.452  -3.871
  378    HB2  TYR  50           2HB      TYR  50   3.281  -4.513  -4.607
  379    HB3  TYR  50           3HB      TYR  50   3.294  -5.761  -5.842
  380    HD1  TYR  50           HD1      TYR  50   1.286  -7.709  -4.893
  381    HD2  TYR  50           HD2      TYR  50   1.198  -3.432  -4.772
  382    HE1  TYR  50           HE1      TYR  50  -1.176  -7.747  -4.994
  383    HE2  TYR  50           HE2      TYR  50  -1.246  -3.486  -4.854
  384    HH   TYR  50           HH       TYR  50  -3.040  -4.879  -5.502
  385    H    GLU  51           H        GLU  51   5.644  -4.895  -3.465
  386    HA   GLU  51           HA       GLU  51   7.540  -5.673  -5.356
  387    HB2  GLU  51           2HB      GLU  51   7.976  -4.399  -2.625
  388    HB3  GLU  51           3HB      GLU  51   9.203  -4.493  -3.882
  389    HG2  GLU  51           2HG      GLU  51   7.920  -3.035  -5.320
  390    HG3  GLU  51           3HG      GLU  51   6.560  -3.063  -4.201
  391    H    ARG  52           H        ARG  52   7.105  -6.777  -2.009
  392    HA   ARG  52           HA       ARG  52   9.394  -8.464  -1.830
  393    HB2  ARG  52           2HB      ARG  52   6.778  -8.651  -0.280
  394    HB3  ARG  52           3HB      ARG  52   8.312  -9.377   0.198
  395    HG2  ARG  52           2HG      ARG  52   9.277  -7.126   0.519
  396    HG3  ARG  52           3HG      ARG  52   7.769  -6.401  -0.034
  397    HD2  ARG  52           2HD      ARG  52   7.766  -6.284   2.354
  398    HD3  ARG  52           3HD      ARG  52   6.605  -7.537   1.903
  399    HE   ARG  52           HE       ARG  52   9.372  -8.174   2.755
  400   HH11  ARG  52          1HH1      ARG  52   5.934  -8.770   3.081
  401   HH12  ARG  52          2HH1      ARG  52   6.145  -9.983   4.298
  402   HH21  ARG  52          1HH2      ARG  52   9.629  -9.746   4.355
  403   HH22  ARG  52          2HH2      ARG  52   8.233 -10.532   5.027
  404    H    LEU  53           H        LEU  53   6.069  -8.971  -2.896
  405    HA   LEU  53           HA       LEU  53   6.304 -11.859  -3.157
  406    HB2  LEU  53           2HB      LEU  53   4.094  -9.891  -3.846
  407    HB3  LEU  53           3HB      LEU  53   3.939 -11.631  -4.029
  408    HG   LEU  53           HG       LEU  53   4.420 -10.222  -1.372
  409   HD11  LEU  53          1HD1      LEU  53   1.833 -11.361  -2.477
  410   HD12  LEU  53          2HD1      LEU  53   2.193  -9.654  -2.212
  411   HD13  LEU  53          3HD1      LEU  53   2.071 -10.750  -0.838
  412   HD21  LEU  53          3HD2      LEU  53   5.303 -12.517  -1.387
  413   HD22  LEU  53          1HD2      LEU  53   3.750 -13.130  -1.967
  414   HD23  LEU  53          2HD2      LEU  53   3.875 -12.411  -0.361
  415    H    ASP  54           H        ASP  54   7.887  -9.819  -4.952
  416    HA   ASP  54           HA       ASP  54   8.653  -9.586  -7.067
  417    HB2  ASP  54           2HB      ASP  54   9.001 -12.026  -6.943
  418    HB3  ASP  54           3HB      ASP  54   7.355 -12.308  -7.477
  419    H    ARG  55           H        ARG  55   5.725  -8.973  -6.354
  420    HA   ARG  55           HA       ARG  55   4.405  -8.829  -8.979
  421    HB2  ARG  55           2HB      ARG  55   3.340  -8.126  -6.203
  422    HB3  ARG  55           3HB      ARG  55   2.393  -8.137  -7.687
  423    HG2  ARG  55           2HG      ARG  55   3.660 -10.538  -6.334
  424    HG3  ARG  55           3HG      ARG  55   1.942 -10.134  -6.373
  425    HD2  ARG  55           2HD      ARG  55   3.675 -10.886  -8.747
  426    HD3  ARG  55           3HD      ARG  55   2.454 -11.914  -7.995
  427    HE   ARG  55           HE       ARG  55   1.508  -9.359  -9.031
  428   HH11  ARG  55          1HH1      ARG  55   1.895 -12.790  -9.704
  429   HH12  ARG  55          2HH1      ARG  55   0.740 -12.777 -10.999
  430   HH21  ARG  55          1HH2      ARG  55   0.014  -9.354 -10.710
  431   HH22  ARG  55          2HH2      ARG  55  -0.328 -10.830 -11.565
  432    H    THR  56           H        THR  56   6.526  -7.326  -9.102
  433    HA   THR  56           HA       THR  56   6.564  -4.738  -8.085
  434    HB   THR  56           HB       THR  56   7.745  -5.776 -10.696
  435    HG1  THR  56           HG1      THR  56   9.300  -5.401  -8.412
  436   HG21  THR  56          3HG2      THR  56   8.513  -3.326  -9.056
  437   HG22  THR  56          1HG2      THR  56   7.744  -3.306 -10.643
  438   HG23  THR  56          2HG2      THR  56   9.384  -3.934 -10.469
  439    H    ASP  57           H        ASP  57   5.065  -6.001 -11.064
  440    HA   ASP  57           HA       ASP  57   4.393  -3.537 -12.293
  441    HB2  ASP  57           2HB      ASP  57   4.301  -5.617 -13.566
  442    HB3  ASP  57           3HB      ASP  57   3.083  -6.274 -12.478
  443    H    ASP  58           H        ASP  58   2.612  -5.639 -10.078
  444    HA   ASP  58           HA       ASP  58   0.237  -4.141  -9.796
  445    HB2  ASP  58           2HB      ASP  58   1.599  -5.967  -7.765
  446    HB3  ASP  58           3HB      ASP  58  -0.061  -5.386  -7.646
  447    H    ALA  59           H        ALA  59   3.350  -4.019  -8.086
  448    HA   ALA  59           HA       ALA  59   2.701  -2.260  -5.996
  449    HB1  ALA  59           3HB      ALA  59   4.767  -3.593  -6.027
  450    HB2  ALA  59           1HB      ALA  59   5.123  -1.879  -5.794
  451    HB3  ALA  59           2HB      ALA  59   5.384  -2.631  -7.371
  452    H    ILE  60           H        ILE  60   4.152  -1.577  -9.182
  453    HA   ILE  60           HA       ILE  60   4.500   1.205  -8.938
  454    HB   ILE  60           HB       ILE  60   3.957  -0.278 -11.563
  455   HG12  ILE  60          2HG1      ILE  60   5.735  -1.490 -10.408
  456   HG13  ILE  60          3HG1      ILE  60   6.413  -0.618 -11.768
  457   HG21  ILE  60          1HG2      ILE  60   5.548   2.250 -11.023
  458   HG22  ILE  60          2HG2      ILE  60   3.958   2.162 -11.779
  459   HG23  ILE  60          3HG2      ILE  60   5.357   1.469 -12.598
  460   HD11  ILE  60          3HD1      ILE  60   7.271   1.082 -10.231
  461   HD12  ILE  60          1HD1      ILE  60   7.876  -0.529  -9.855
  462   HD13  ILE  60          2HD1      ILE  60   6.599   0.183  -8.869
  463    H    ASP  61           H        ASP  61   1.858  -0.773 -10.073
  464    HA   ASP  61           HA       ASP  61   0.154   1.223 -11.131
  465    HB2  ASP  61           2HB      ASP  61   0.031  -1.189 -11.719
  466    HB3  ASP  61           3HB      ASP  61  -0.477  -1.569 -10.082
  467    H    THR  62           H        THR  62   0.370  -0.336  -7.939
  468    HA   THR  62           HA       THR  62  -1.921   0.870  -6.760
  469    HB   THR  62           HB       THR  62   0.546  -0.334  -5.425
  470    HG1  THR  62           HG1      THR  62  -0.766  -1.711  -6.832
  471   HG21  THR  62          3HG2      THR  62  -0.743   1.064  -3.826
  472   HG22  THR  62          1HG2      THR  62  -0.875  -0.654  -3.435
  473   HG23  THR  62          2HG2      THR  62  -2.208   0.176  -4.242
  474    H    TYR  63           H        TYR  63   1.510   1.734  -6.854
  475    HA   TYR  63           HA       TYR  63   1.354   4.030  -5.190
  476    HB2  TYR  63           2HB      TYR  63   3.392   3.336  -7.332
  477    HB3  TYR  63           3HB      TYR  63   3.554   4.685  -6.204
  478    HD1  TYR  63           HD1      TYR  63   2.798   3.609  -3.615
  479    HD2  TYR  63           HD2      TYR  63   4.977   1.693  -6.750
  480    HE1  TYR  63           HE1      TYR  63   3.889   2.148  -1.971
  481    HE2  TYR  63           HE2      TYR  63   6.051   0.239  -5.107
  482    HH   TYR  63           HH       TYR  63   6.539   0.130  -2.818
  483    H    ALA  64           H        ALA  64   1.066   3.584  -8.715
  484    HA   ALA  64           HA       ALA  64   0.865   6.246  -9.528
  485    HB1  ALA  64           3HB      ALA  64   1.138   4.392 -11.097
  486    HB2  ALA  64           1HB      ALA  64  -0.275   5.360 -11.531
  487    HB3  ALA  64           2HB      ALA  64  -0.485   3.809 -10.717
  488    H    GLN  65           H        GLN  65  -1.768   4.011  -8.600
  489    HA   GLN  65           HA       GLN  65  -3.897   5.877  -8.670
  490    HB2  GLN  65           2HB      GLN  65  -3.643   3.118  -8.202
  491    HB3  GLN  65           3HB      GLN  65  -4.146   3.707  -6.633
  492    HG2  GLN  65           2HG      GLN  65  -5.724   4.504  -9.070
  493    HG3  GLN  65           3HG      GLN  65  -5.900   2.878  -8.437
  494   HE21  GLN  65          1HE2      GLN  65  -5.564   5.855  -6.501
  495   HE22  GLN  65          2HE2      GLN  65  -7.114   5.744  -5.778
  496    H    GLY  66           H        GLY  66  -1.647   4.866  -6.193
  497    HA2  GLY  66           2HA      GLY  66  -2.594   6.230  -3.965
  498    HA3  GLY  66           3HA      GLY  66  -0.925   5.753  -4.238
  499    H    ILE  67           H        ILE  67  -0.465   7.349  -6.556
  500    HA   ILE  67           HA       ILE  67   0.426   9.758  -5.388
  501    HB   ILE  67           HB       ILE  67   0.330   8.685  -8.219
  502   HG12  ILE  67          2HG1      ILE  67   2.742   9.438  -6.493
  503   HG13  ILE  67          3HG1      ILE  67   2.013   7.838  -6.487
  504   HG21  ILE  67          1HG2      ILE  67   1.688  10.594  -9.052
  505   HG22  ILE  67          2HG2      ILE  67   1.430  11.422  -7.516
  506   HG23  ILE  67          3HG2      ILE  67   0.060  11.088  -8.574
  507   HD11  ILE  67          3HD1      ILE  67   4.030   7.978  -7.851
  508   HD12  ILE  67          1HD1      ILE  67   3.250   9.163  -8.894
  509   HD13  ILE  67          2HD1      ILE  67   2.617   7.516  -8.798
  510    H    GLU  68           H        GLU  68  -2.404   8.971  -7.340
  511    HA   GLU  68           HA       GLU  68  -3.411  11.548  -7.869
  512    HB2  GLU  68           2HB      GLU  68  -5.077   9.054  -7.296
  513    HB3  GLU  68           3HB      GLU  68  -5.559  10.460  -8.245
  514    HG2  GLU  68           2HG      GLU  68  -3.853   9.851  -9.959
  515    HG3  GLU  68           3HG      GLU  68  -3.423   8.437  -8.998
  516    H    VAL  69           H        VAL  69  -3.952   9.306  -5.202
  517    HA   VAL  69           HA       VAL  69  -5.686  11.143  -3.753
  518    HB   VAL  69           HB       VAL  69  -6.110   9.351  -2.197
  519   HG11  VAL  69          1HG1      VAL  69  -6.020   8.263  -5.045
  520   HG12  VAL  69          2HG1      VAL  69  -7.322   9.220  -4.335
  521   HG13  VAL  69          3HG1      VAL  69  -6.994   7.598  -3.732
  522   HG21  VAL  69          3HG2      VAL  69  -5.001   7.152  -2.285
  523   HG22  VAL  69          1HG2      VAL  69  -3.834   8.425  -1.925
  524   HG23  VAL  69          2HG2      VAL  69  -3.913   7.732  -3.546
  525    H    ALA  70           H        ALA  70  -2.315  10.482  -3.835
  526    HA   ALA  70           HA       ALA  70  -1.680  11.003  -1.075
  527    HB1  ALA  70           3HB      ALA  70  -0.224   9.629  -2.494
  528    HB2  ALA  70           1HB      ALA  70   0.656  10.987  -1.797
  529    HB3  ALA  70           2HB      ALA  70   0.155  11.031  -3.493
  530    H    ARG  71           H        ARG  71  -1.527  12.866  -4.086
  531    HA   ARG  71           HA       ARG  71  -0.550  15.285  -2.938
  532    HB2  ARG  71           2HB      ARG  71  -1.184  16.321  -5.091
  533    HB3  ARG  71           3HB      ARG  71  -0.341  14.797  -5.349
  534    HG2  ARG  71           2HG      ARG  71  -2.452  13.663  -5.815
  535    HG3  ARG  71           3HG      ARG  71  -3.350  15.132  -5.446
  536    HD2  ARG  71           2HD      ARG  71  -2.081  16.225  -7.387
  537    HD3  ARG  71           3HD      ARG  71  -1.558  14.590  -7.824
  538    HE   ARG  71           HE       ARG  71  -4.237  14.295  -7.606
  539   HH11  ARG  71          1HH1      ARG  71  -2.298  16.578  -9.451
  540   HH12  ARG  71          2HH1      ARG  71  -3.524  16.837 -10.647
  541   HH21  ARG  71          1HH2      ARG  71  -5.847  14.672  -9.150
  542   HH22  ARG  71          2HH2      ARG  71  -5.537  15.752 -10.473
  543    H    GLU  72           H        GLU  72  -3.795  13.959  -3.429
  544    HA   GLU  72           HA       GLU  72  -5.144  16.479  -2.816
  545    HB2  GLU  72           2HB      GLU  72  -6.174  13.737  -3.653
  546    HB3  GLU  72           3HB      GLU  72  -7.224  15.119  -3.333
  547    HG2  GLU  72           2HG      GLU  72  -6.267  16.367  -5.178
  548    HG3  GLU  72           3HG      GLU  72  -5.025  15.140  -5.422
  549    H    GLU  73           H        GLU  73  -5.271  13.139  -1.501
  550    HA   GLU  73           HA       GLU  73  -6.745  14.010   0.844
  551    HB2  GLU  73           2HB      GLU  73  -5.797  11.201   0.140
  552    HB3  GLU  73           3HB      GLU  73  -7.025  11.624   1.334
  553    HG2  GLU  73           2HG      GLU  73  -7.210  11.944  -1.678
  554    HG3  GLU  73           3HG      GLU  73  -8.085  10.778  -0.685
  555    H    GLY  74           H        GLY  74  -3.539  12.552   0.176
  556    HA2  GLY  74           2HA      GLY  74  -2.701  12.778   2.964
  557    HA3  GLY  74           3HA      GLY  74  -1.749  12.185   1.607
  558    H    THR  75           H        THR  75  -0.061  13.587   2.674
  559    HA   THR  75           HA       THR  75  -0.250  16.396   1.736
  560    HB   THR  75           HB       THR  75   1.681  16.871   3.190
  561    HG1  THR  75           HG1      THR  75   1.460  14.209   4.168
  562   HG21  THR  75          3HG2      THR  75   0.608  16.587   5.387
  563   HG22  THR  75          1HG2      THR  75  -0.537  15.441   4.689
  564   HG23  THR  75          2HG2      THR  75  -0.553  17.131   4.175
  565    H    GLN  76           H        GLN  76   2.202  17.166   1.196
  566    HA   GLN  76           HA       GLN  76   2.969  15.907  -1.217
  567    HB2  GLN  76           2HB      GLN  76   3.346  18.321  -0.653
  568    HB3  GLN  76           3HB      GLN  76   4.597  17.838   0.488
  569    HG2  GLN  76           2HG      GLN  76   5.926  16.900  -1.382
  570    HG3  GLN  76           3HG      GLN  76   4.660  17.372  -2.513
  571   HE21  GLN  76          1HE2      GLN  76   4.345  19.626  -2.931
  572   HE22  GLN  76          2HE2      GLN  76   5.598  20.770  -2.627
  573    H    LYS  77           H        LYS  77   3.983  15.417   2.112
  574    HA   LYS  77           HA       LYS  77   6.383  13.983   1.689
  575    HB2  LYS  77           2HB      LYS  77   5.783  14.781   3.926
  576    HB3  LYS  77           3HB      LYS  77   4.346  13.761   3.949
  577    HG2  LYS  77           2HG      LYS  77   5.757  11.743   3.926
  578    HG3  LYS  77           3HG      LYS  77   7.210  12.745   3.860
  579    HD2  LYS  77           2HD      LYS  77   6.737  13.634   6.091
  580    HD3  LYS  77           3HD      LYS  77   5.200  12.763   6.144
  581    HE2  LYS  77           2HE      LYS  77   6.960  11.618   7.457
  582    HE3  LYS  77           3HE      LYS  77   6.377  10.618   6.124
  583    HZ1  LYS  77           3HZ      LYS  77   8.331  11.183   4.857
  584    HZ2  LYS  77           1HZ      LYS  77   8.804  10.589   6.369
  585    HZ3  LYS  77           2HZ      LYS  77   8.857  12.246   6.062
  586    H    ASP  78           H        ASP  78   3.018  12.864   2.108
  587    HA   ASP  78           HA       ASP  78   3.349  10.094   1.780
  588    HB2  ASP  78           2HB      ASP  78   0.962  11.818   0.947
  589    HB3  ASP  78           3HB      ASP  78   0.932  10.066   1.103
  590    H    LEU  79           H        LEU  79   2.707  12.643  -0.565
  591    HA   LEU  79           HA       LEU  79   2.513  11.194  -2.930
  592    HB2  LEU  79           2HB      LEU  79   1.853  13.553  -2.649
  593    HB3  LEU  79           3HB      LEU  79   3.535  14.016  -2.457
  594    HG   LEU  79           HG       LEU  79   3.990  13.419  -4.820
  595   HD11  LEU  79          1HD1      LEU  79   2.398  11.602  -5.132
  596   HD12  LEU  79          2HD1      LEU  79   2.129  12.850  -6.347
  597   HD13  LEU  79          3HD1      LEU  79   1.040  12.724  -4.963
  598   HD21  LEU  79          3HD2      LEU  79   3.279  15.730  -4.278
  599   HD22  LEU  79          1HD2      LEU  79   1.590  15.267  -4.529
  600   HD23  LEU  79          2HD2      LEU  79   2.727  15.238  -5.877
  601    H    SER  80           H        SER  80   5.387  12.678  -1.432
  602    HA   SER  80           HA       SER  80   7.241  12.018  -3.455
  603    HB2  SER  80           2HB      SER  80   7.748  12.605  -0.510
  604    HB3  SER  80           3HB      SER  80   8.970  12.613  -1.785
  605    HG   SER  80           HG       SER  80   7.077  14.488  -1.140
  606    H    GLU  81           H        GLU  81   6.167  10.279  -0.562
  607    HA   GLU  81           HA       GLU  81   8.243   8.316  -0.544
  608    HB2  GLU  81           2HB      GLU  81   5.511   8.339   0.803
  609    HB3  GLU  81           3HB      GLU  81   6.768   7.145   1.130
  610    HG2  GLU  81           2HG      GLU  81   8.264   8.932   1.938
  611    HG3  GLU  81           3HG      GLU  81   7.033  10.136   1.586
  612    H    LEU  82           H        LEU  82   5.007   8.437  -1.981
  613    HA   LEU  82           HA       LEU  82   4.974   5.694  -2.847
  614    HB2  LEU  82           2HB      LEU  82   3.348   8.078  -3.792
  615    HB3  LEU  82           3HB      LEU  82   3.021   6.404  -4.232
  616    HG   LEU  82           HG       LEU  82   2.868   7.548  -1.406
  617   HD11  LEU  82          1HD1      LEU  82   0.466   7.231  -1.567
  618   HD12  LEU  82          2HD1      LEU  82   0.627   6.651  -3.225
  619   HD13  LEU  82          3HD1      LEU  82   1.031   8.319  -2.829
  620   HD21  LEU  82          3HD2      LEU  82   2.187   4.762  -2.385
  621   HD22  LEU  82          1HD2      LEU  82   1.930   5.381  -0.751
  622   HD23  LEU  82          2HD2      LEU  82   3.565   5.196  -1.373
  623    H    GLN  83           H        GLN  83   5.895   8.753  -4.353
  624    HA   GLN  83           HA       GLN  83   6.372   7.794  -6.995
  625    HB2  GLN  83           2HB      GLN  83   7.431  10.234  -5.512
  626    HB3  GLN  83           3HB      GLN  83   7.698   9.943  -7.230
  627    HG2  GLN  83           2HG      GLN  83   5.324  10.104  -7.684
  628    HG3  GLN  83           3HG      GLN  83   4.959  10.203  -5.963
  629   HE21  GLN  83          1HE2      GLN  83   7.110  12.065  -5.346
  630   HE22  GLN  83          2HE2      GLN  83   6.643  13.592  -5.998
  631    H    ASP  84           H        ASP  84   8.372   8.266  -4.142
  632    HA   ASP  84           HA       ASP  84  10.908   7.564  -5.156
  633    HB2  ASP  84           2HB      ASP  84  10.616   8.747  -3.024
  634    HB3  ASP  84           3HB      ASP  84   9.710   7.401  -2.352
  635    H    ALA  85           H        ALA  85   8.360   5.659  -3.546
  636    HA   ALA  85           HA       ALA  85   9.752   3.241  -3.347
  637    HB1  ALA  85           3HB      ALA  85   7.585   2.270  -2.777
  638    HB2  ALA  85           1HB      ALA  85   6.761   3.704  -3.383
  639    HB3  ALA  85           2HB      ALA  85   7.808   3.822  -1.966
  640    H    LYS  86           H        LYS  86   7.397   4.351  -5.827
  641    HA   LYS  86           HA       LYS  86   7.430   1.953  -7.315
  642    HB2  LYS  86           2HB      LYS  86   6.367   3.197  -9.155
  643    HB3  LYS  86           3HB      LYS  86   5.606   3.525  -7.605
  644    HG2  LYS  86           2HG      LYS  86   6.685   5.692  -7.463
  645    HG3  LYS  86           3HG      LYS  86   7.596   5.376  -8.942
  646    HD2  LYS  86           2HD      LYS  86   4.566   5.607  -8.749
  647    HD3  LYS  86           3HD      LYS  86   5.653   6.874  -9.323
  648    HE2  LYS  86           2HE      LYS  86   6.390   5.308 -11.154
  649    HE3  LYS  86           3HE      LYS  86   5.142   4.180 -10.631
  650    HZ1  LYS  86           3HZ      LYS  86   3.483   5.855 -11.113
  651    HZ2  LYS  86           1HZ      LYS  86   4.422   5.533 -12.480
  652    HZ3  LYS  86           2HZ      LYS  86   4.681   6.946 -11.592
  653    H    LEU  87           H        LEU  87   9.519   4.887  -7.637
  654    HA   LEU  87           HA       LEU  87  10.610   4.008 -10.134
  655    HB2  LEU  87           2HB      LEU  87  12.209   5.831  -9.968
  656    HB3  LEU  87           3HB      LEU  87  10.595   6.371  -9.574
  657    HG   LEU  87           HG       LEU  87  11.398   6.124  -7.067
  658   HD11  LEU  87          1HD1      LEU  87  14.085   6.412  -8.453
  659   HD12  LEU  87          2HD1      LEU  87  13.554   5.051  -7.463
  660   HD13  LEU  87          3HD1      LEU  87  13.794   6.630  -6.724
  661   HD21  LEU  87          3HD2      LEU  87  10.766   8.250  -8.088
  662   HD22  LEU  87          1HD2      LEU  87  12.366   8.399  -8.824
  663   HD23  LEU  87          2HD2      LEU  87  12.187   8.457  -7.067
  664    H    LYS  88           H        LYS  88  11.638   3.543  -6.749
  665    HA   LYS  88           HA       LYS  88  14.034   2.148  -7.483
  666    HB2  LYS  88           2HB      LYS  88  14.354   1.649  -5.156
  667    HB3  LYS  88           3HB      LYS  88  13.790   3.296  -5.300
  668    HG2  LYS  88           2HG      LYS  88  12.631   2.599  -3.438
  669    HG3  LYS  88           3HG      LYS  88  11.439   2.265  -4.693
  670    HD2  LYS  88           2HD      LYS  88  11.993  -0.106  -4.667
  671    HD3  LYS  88           3HD      LYS  88  13.373   0.181  -3.606
  672    HE2  LYS  88           2HE      LYS  88  11.458  -0.782  -2.374
  673    HE3  LYS  88           3HE      LYS  88  11.872   0.827  -1.785
  674    HZ1  LYS  88           3HZ      LYS  88   9.781   0.509  -3.823
  675    HZ2  LYS  88           1HZ      LYS  88   9.985   1.725  -2.660
  676    HZ3  LYS  88           2HZ      LYS  88   9.435   0.193  -2.201
  677    H    ALA  89           H        ALA  89  10.695   1.076  -6.732
  678    HA   ALA  89           HA       ALA  89  11.090  -1.663  -6.915
  679    HB1  ALA  89           3HB      ALA  89   9.003  -0.662  -6.126
  680    HB2  ALA  89           1HB      ALA  89   8.690  -1.814  -7.423
  681    HB3  ALA  89           2HB      ALA  89   8.643  -0.078  -7.749
  682    H    GLU  90           H        GLU  90  10.653   0.721  -9.534
  683    HA   GLU  90           HA       GLU  90  10.568  -1.014 -11.732
  684    HB2  GLU  90           2HB      GLU  90  11.783   1.765 -11.462
  685    HB3  GLU  90           3HB      GLU  90  11.653   0.937 -13.007
  686    HG2  GLU  90           2HG      GLU  90   9.235   1.500 -11.261
  687    HG3  GLU  90           3HG      GLU  90   9.840   2.665 -12.435
  688    H    GLY  91           H        GLY  91  13.269   0.123  -9.764
  689    HA2  GLY  91           2HA      GLY  91  15.402  -0.995 -11.263
  690    HA3  GLY  91           3HA      GLY  91  15.453  -0.495  -9.584
  691    H    LEU  92           H        LEU  92  13.052  -2.598  -9.298
  692    HA   LEU  92           HA       LEU  92  14.612  -4.821  -8.421
  693    HB2  LEU  92           2HB      LEU  92  11.629  -4.584  -8.991
  694    HB3  LEU  92           3HB      LEU  92  12.357  -6.028  -8.303
  695    HG   LEU  92           HG       LEU  92  12.410  -3.283  -6.972
  696   HD11  LEU  92          1HD1      LEU  92  10.727  -4.160  -5.406
  697   HD12  LEU  92          2HD1      LEU  92  10.629  -5.652  -6.348
  698   HD13  LEU  92          3HD1      LEU  92  10.109  -4.123  -7.061
  699   HD21  LEU  92          3HD2      LEU  92  14.302  -4.698  -6.305
  700   HD22  LEU  92          1HD2      LEU  92  13.196  -6.014  -5.900
  701   HD23  LEU  92          2HD2      LEU  92  13.163  -4.513  -4.974
  702    H    GLU  93           H        GLU  93  12.166  -4.770 -11.028
  703    HA   GLU  93           HA       GLU  93  13.247  -7.109 -12.320
  704    HB2  GLU  93           2HB      GLU  93  11.482  -6.614 -14.071
  705    HB3  GLU  93           3HB      GLU  93  10.882  -6.866 -12.439
  706    HG2  GLU  93           2HG      GLU  93  10.601  -4.442 -12.143
  707    HG3  GLU  93           3HG      GLU  93  11.266  -4.159 -13.753
  708    H    HIS  94           H        HIS  94  13.019  -3.677 -13.260
  709    HA   HIS  94           HA       HIS  94  14.931  -3.974 -15.453
  710    HB2  HIS  94           2HB      HIS  94  12.890  -2.541 -15.719
  711    HB3  HIS  94           3HB      HIS  94  13.424  -1.529 -14.391
  712    HD1  HIS  94           HD1      HIS  94  13.843  -2.074 -18.025
  713    HD2  HIS  94           HD2      HIS  94  15.592   0.239 -15.058
  714    HE1  HIS  94           HE1      HIS  94  15.145  -0.311 -19.224
  715    HE2  HIS  94           HE2      HIS  94  15.988   1.203 -17.413
  716    H    HIS  95           H        HIS  95  16.476  -4.773 -13.743
  717    HA   HIS  95           HA       HIS  95  17.699  -2.720 -12.045
  718    HB2  HIS  95           2HB      HIS  95  19.072  -4.615 -11.146
  719    HB3  HIS  95           3HB      HIS  95  17.342  -4.840 -10.952
  720    HD1  HIS  95           HD1      HIS  95  16.246  -6.801 -12.213
  721    HD2  HIS  95           HD2      HIS  95  20.342  -6.464 -12.836
  722    HE1  HIS  95           HE1      HIS  95  16.958  -8.972 -13.250
  723    HE2  HIS  95           HE2      HIS  95  19.448  -8.784 -13.517
  724    H    HIS  96           H        HIS  96  20.133  -2.677 -11.979
  725    HA   HIS  96           HA       HIS  96  21.128  -1.723 -14.440
  726    HB2  HIS  96           2HB      HIS  96  22.636  -2.425 -11.892
  727    HB3  HIS  96           3HB      HIS  96  23.290  -1.479 -13.224
  728    HD1  HIS  96           HD1      HIS  96  21.883  -1.006 -10.017
  729    HD2  HIS  96           HD2      HIS  96  21.425   0.932 -13.661
  730    HE1  HIS  96           HE1      HIS  96  20.996   1.262  -9.464
  731    HE2  HIS  96           HE2      HIS  96  20.547   2.348 -11.680
  732    H    HIS  97           H        HIS  97  21.517  -3.001 -16.115
  733    HA   HIS  97           HA       HIS  97  22.677  -5.698 -15.807
  734    HB2  HIS  97           2HB      HIS  97  21.414  -4.333 -18.230
  735    HB3  HIS  97           3HB      HIS  97  22.018  -5.988 -18.207
  736    HD1  HIS  97           HD1      HIS  97  18.948  -4.244 -17.988
  737    HD2  HIS  97           HD2      HIS  97  20.572  -7.476 -15.943
  738    HE1  HIS  97           HE1      HIS  97  17.005  -5.450 -16.958
  739    HE2  HIS  97           HE2      HIS  97  17.992  -7.517 -15.938
  740    H    HIS  98           H        HIS  98  24.837  -5.757 -15.863
  741    HA   HIS  98           HA       HIS  98  26.407  -4.446 -17.914
  742    HB2  HIS  98           2HB      HIS  98  27.822  -3.125 -16.373
  743    HB3  HIS  98           3HB      HIS  98  26.154  -2.590 -16.267
  744    HD1  HIS  98           HD1      HIS  98  28.893  -4.151 -14.263
  745    HD2  HIS  98           HD2      HIS  98  24.885  -3.148 -13.773
  746    HE1  HIS  98           HE1      HIS  98  28.456  -4.295 -11.804
  747    HE2  HIS  98           HE2      HIS  98  26.001  -3.827 -11.542
  748    H    HIS  99           H        HIS  99  28.736  -5.035 -17.726
  749    HA   HIS  99           HA       HIS  99  29.211  -7.546 -16.229
  750    HB2  HIS  99           2HB      HIS  99  30.522  -6.333 -18.694
  751    HB3  HIS  99           3HB      HIS  99  31.352  -7.570 -17.755
  752    HD1  HIS  99           HD1      HIS  99  28.302  -7.087 -19.943
  753    HD2  HIS  99           HD2      HIS  99  30.441 -10.162 -18.147
  754    HE1  HIS  99           HE1      HIS  99  27.395  -9.207 -20.930
  755    HE2  HIS  99           HE2      HIS  99  28.683 -11.052 -19.802
  Start of MODEL   10
    1    H1   GLU   1           1H       GLU   1 -13.903  -4.773  18.780
    2    H2   GLU   1           2H       GLU   1 -13.275  -5.830  17.621
    3    H3   GLU   1           3H       GLU   1 -14.948  -5.667  17.802
    4    HA   GLU   1           HA       GLU   1 -14.882  -3.416  17.059
    5    HB2  GLU   1           2HB      GLU   1 -12.647  -2.826  17.907
    6    HB3  GLU   1           3HB      GLU   1 -11.887  -3.916  16.759
    7    HG2  GLU   1           2HG      GLU   1 -11.634  -1.607  16.027
    8    HG3  GLU   1           3HG      GLU   1 -12.640  -2.498  14.888
    9    H    ASP   2           H        ASP   2 -15.462  -3.128  14.917
   10    HA   ASP   2           HA       ASP   2 -15.597  -5.253  13.108
   11    HB2  ASP   2           2HB      ASP   2 -15.638  -2.256  12.521
   12    HB3  ASP   2           3HB      ASP   2 -16.128  -3.510  11.385
   13    HA   PRO   3           HA       PRO   3 -11.290  -5.032  11.613
   14    HB2  PRO   3           2HB      PRO   3 -11.343  -7.146   9.923
   15    HB3  PRO   3           3HB      PRO   3 -11.366  -7.369  11.679
   16    HG2  PRO   3           2HG      PRO   3 -13.675  -7.424   9.732
   17    HG3  PRO   3           3HG      PRO   3 -13.304  -8.553  11.053
   18    HD2  PRO   3           2HD      PRO   3 -15.128  -6.514  11.291
   19    HD3  PRO   3           3HD      PRO   3 -14.204  -7.149  12.671
   20    H    GLU   4           H        GLU   4 -14.104  -4.137  10.085
   21    HA   GLU   4           HA       GLU   4 -12.965  -3.344   7.530
   22    HB2  GLU   4           2HB      GLU   4 -15.635  -2.701   8.855
   23    HB3  GLU   4           3HB      GLU   4 -15.199  -2.259   7.203
   24    HG2  GLU   4           2HG      GLU   4 -15.006  -4.658   6.618
   25    HG3  GLU   4           3HG      GLU   4 -15.456  -5.091   8.272
   26    H    ASP   5           H        ASP   5 -12.916  -2.147  10.713
   27    HA   ASP   5           HA       ASP   5 -12.857   0.659  10.283
   28    HB2  ASP   5           2HB      ASP   5 -13.137  -0.374  12.540
   29    HB3  ASP   5           3HB      ASP   5 -11.503  -1.007  12.461
   30    HA   PRO   6           HA       PRO   6  -9.214   0.863   7.741
   31    HB2  PRO   6           2HB      PRO   6  -8.384   3.479   8.276
   32    HB3  PRO   6           3HB      PRO   6  -9.684   3.039   7.164
   33    HG2  PRO   6           2HG      PRO   6  -9.865   3.899  10.051
   34    HG3  PRO   6           3HG      PRO   6 -10.848   4.425   8.664
   35    HD2  PRO   6           2HD      PRO   6 -11.794   2.618  10.390
   36    HD3  PRO   6           3HD      PRO   6 -12.105   2.432   8.648
   37    H    PHE   7           H        PHE   7  -8.460   2.592  10.848
   38    HA   PHE   7           HA       PHE   7  -5.721   1.958  10.825
   39    HB2  PHE   7           2HB      PHE   7  -6.589   3.816  12.183
   40    HB3  PHE   7           3HB      PHE   7  -7.467   2.689  13.212
   41    HD1  PHE   7           HD1      PHE   7  -4.011   3.690  12.159
   42    HD2  PHE   7           HD2      PHE   7  -6.380   1.697  15.117
   43    HE1  PHE   7           HE1      PHE   7  -2.032   3.465  13.607
   44    HE2  PHE   7           HE2      PHE   7  -4.400   1.490  16.558
   45    HZ   PHE   7           HZ       PHE   7  -2.223   2.371  15.807
   46    H    THR   8           H        THR   8  -8.491   0.275  12.310
   47    HA   THR   8           HA       THR   8  -7.083  -1.499  13.965
   48    HB   THR   8           HB       THR   8  -9.788  -1.857  12.606
   49    HG1  THR   8           HG1      THR   8  -9.712  -0.176  14.109
   50   HG21  THR   8          3HG2      THR   8 -10.270  -3.607  14.300
   51   HG22  THR   8          1HG2      THR   8  -8.596  -3.527  14.862
   52   HG23  THR   8          2HG2      THR   8  -8.956  -4.093  13.229
   53    H    ARG   9           H        ARG   9  -8.303  -2.054  10.624
   54    HA   ARG   9           HA       ARG   9  -7.105  -4.667  10.404
   55    HB2  ARG   9           2HB      ARG   9  -7.988  -4.702   8.155
   56    HB3  ARG   9           3HB      ARG   9  -9.201  -4.066   9.263
   57    HG2  ARG   9           2HG      ARG   9  -8.623  -1.758   8.518
   58    HG3  ARG   9           3HG      ARG   9  -7.500  -2.447   7.339
   59    HD2  ARG   9           2HD      ARG   9 -10.501  -2.860   7.456
   60    HD3  ARG   9           3HD      ARG   9  -9.603  -1.933   6.248
   61    HE   ARG   9           HE       ARG   9  -8.538  -4.467   6.154
   62   HH11  ARG   9          1HH1      ARG   9 -11.651  -3.014   5.500
   63   HH12  ARG   9          2HH1      ARG   9 -12.208  -4.354   4.551
   64   HH21  ARG   9          1HH2      ARG   9  -9.273  -6.216   4.925
   65   HH22  ARG   9          2HH2      ARG   9 -10.852  -6.169   4.222
   66    H    TYR  10           H        TYR  10  -6.108  -1.423   9.543
   67    HA   TYR  10           HA       TYR  10  -4.003  -2.050   7.725
   68    HB2  TYR  10           2HB      TYR  10  -4.868   0.189   7.741
   69    HB3  TYR  10           3HB      TYR  10  -4.603   0.370   9.467
   70    HD1  TYR  10           HD1      TYR  10  -2.771   0.050   6.197
   71    HD2  TYR  10           HD2      TYR  10  -2.584   1.365  10.263
   72    HE1  TYR  10           HE1      TYR  10  -0.614   1.150   5.751
   73    HE2  TYR  10           HE2      TYR  10  -0.439   2.465   9.808
   74    HH   TYR  10           HH       TYR  10   1.399   2.337   8.248
   75    H    ALA  11           H        ALA  11  -3.984  -1.242  11.184
   76    HA   ALA  11           HA       ALA  11  -1.243  -1.778  11.679
   77    HB1  ALA  11           3HB      ALA  11  -2.597  -0.302  13.107
   78    HB2  ALA  11           1HB      ALA  11  -1.872  -1.602  14.056
   79    HB3  ALA  11           2HB      ALA  11  -3.581  -1.674  13.616
   80    H    LEU  12           H        LEU  12  -4.186  -3.710  11.900
   81    HA   LEU  12           HA       LEU  12  -3.180  -6.069  13.104
   82    HB2  LEU  12           2HB      LEU  12  -5.573  -5.618  12.934
   83    HB3  LEU  12           3HB      LEU  12  -5.491  -5.602  11.185
   84    HG   LEU  12           HG       LEU  12  -4.995  -8.063  11.212
   85   HD11  LEU  12          1HD1      LEU  12  -5.520  -7.889  14.193
   86   HD12  LEU  12          2HD1      LEU  12  -3.981  -8.289  13.423
   87   HD13  LEU  12          3HD1      LEU  12  -5.358  -9.375  13.253
   88   HD21  LEU  12          3HD2      LEU  12  -7.300  -7.273  10.876
   89   HD22  LEU  12          1HD2      LEU  12  -7.574  -7.285  12.621
   90   HD23  LEU  12          2HD2      LEU  12  -7.277  -8.797  11.759
   91    H    ALA  13           H        ALA  13  -3.387  -4.968   9.747
   92    HA   ALA  13           HA       ALA  13  -2.461  -7.305   8.451
   93    HB1  ALA  13           3HB      ALA  13  -2.308  -4.435   7.501
   94    HB2  ALA  13           1HB      ALA  13  -3.665  -5.534   7.255
   95    HB3  ALA  13           2HB      ALA  13  -2.109  -5.871   6.493
   96    H    GLN  14           H        GLN  14  -0.775  -4.400   9.619
   97    HA   GLN  14           HA       GLN  14   1.841  -5.097   8.834
   98    HB2  GLN  14           2HB      GLN  14   0.948  -3.446  11.234
   99    HB3  GLN  14           3HB      GLN  14   2.587  -3.491  10.576
  100    HG2  GLN  14           2HG      GLN  14   1.712  -2.571   8.425
  101    HG3  GLN  14           3HG      GLN  14   0.111  -2.464   9.156
  102   HE21  GLN  14          1HE2      GLN  14   3.346  -1.147   9.142
  103   HE22  GLN  14          2HE2      GLN  14   2.969   0.301  10.003
  104    H    GLU  15           H        GLU  15  -0.035  -5.970  11.732
  105    HA   GLU  15           HA       GLU  15   2.075  -7.384  13.033
  106    HB2  GLU  15           2HB      GLU  15  -0.935  -7.638  13.412
  107    HB3  GLU  15           3HB      GLU  15   0.279  -8.357  14.470
  108    HG2  GLU  15           2HG      GLU  15  -0.253  -5.402  14.038
  109    HG3  GLU  15           3HG      GLU  15  -0.582  -6.344  15.491
  110    H    HIS  16           H        HIS  16  -0.515  -8.400  10.771
  111    HA   HIS  16           HA       HIS  16  -0.059 -11.157  10.715
  112    HB2  HIS  16           2HB      HIS  16  -0.981  -9.321   8.471
  113    HB3  HIS  16           3HB      HIS  16  -0.848 -11.060   8.255
  114    HD1  HIS  16           HD1      HIS  16  -2.339 -12.410  10.250
  115    HD2  HIS  16           HD2      HIS  16  -3.523  -8.629   9.050
  116    HE1  HIS  16           HE1      HIS  16  -4.764 -12.244  10.846
  117    HE2  HIS  16           HE2      HIS  16  -5.501 -10.056   9.867
  118    H    LEU  17           H        LEU  17   1.566  -8.551   8.942
  119    HA   LEU  17           HA       LEU  17   3.311 -10.051   7.331
  120    HB2  LEU  17           2HB      LEU  17   3.661  -7.292   8.559
  121    HB3  LEU  17           3HB      LEU  17   4.763  -7.961   7.362
  122    HG   LEU  17           HG       LEU  17   1.802  -7.419   6.884
  123   HD11  LEU  17          1HD1      LEU  17   4.209  -5.866   5.887
  124   HD12  LEU  17          2HD1      LEU  17   3.054  -5.316   7.104
  125   HD13  LEU  17          3HD1      LEU  17   2.524  -5.577   5.444
  126   HD21  LEU  17          3HD2      LEU  17   2.600  -9.290   5.535
  127   HD22  LEU  17          1HD2      LEU  17   3.983  -8.339   4.979
  128   HD23  LEU  17          2HD2      LEU  17   2.344  -7.879   4.515
  129    H    LYS  18           H        LYS  18   3.728  -8.752  10.594
  130    HA   LYS  18           HA       LYS  18   6.356  -9.674  11.102
  131    HB2  LYS  18           2HB      LYS  18   4.054  -8.955  12.961
  132    HB3  LYS  18           3HB      LYS  18   5.695  -9.270  13.524
  133    HG2  LYS  18           2HG      LYS  18   6.554  -7.323  12.408
  134    HG3  LYS  18           3HG      LYS  18   5.061  -7.105  11.494
  135    HD2  LYS  18           2HD      LYS  18   5.225  -5.446  13.302
  136    HD3  LYS  18           3HD      LYS  18   3.850  -6.522  13.560
  137    HE2  LYS  18           2HE      LYS  18   5.194  -7.805  15.213
  138    HE3  LYS  18           3HE      LYS  18   6.541  -6.691  14.973
  139    HZ1  LYS  18           3HZ      LYS  18   5.182  -6.187  16.933
  140    HZ2  LYS  18           1HZ      LYS  18   3.850  -5.897  15.937
  141    HZ3  LYS  18           2HZ      LYS  18   5.219  -4.912  15.830
  142    H    HIS  19           H        HIS  19   3.182 -11.173  11.466
  143    HA   HIS  19           HA       HIS  19   4.152 -13.576  12.781
  144    HB2  HIS  19           2HB      HIS  19   1.413 -12.881  11.644
  145    HB3  HIS  19           3HB      HIS  19   1.771 -14.308  12.613
  146    HD1  HIS  19           HD1      HIS  19  -0.148 -11.656  13.194
  147    HD2  HIS  19           HD2      HIS  19   3.395 -12.738  15.067
  148    HE1  HIS  19           HE1      HIS  19  -0.205 -10.537  15.437
  149    HE2  HIS  19           HE2      HIS  19   2.047 -11.019  16.439
  150    H    ASP  20           H        ASP  20   4.746 -12.677   9.773
  151    HA   ASP  20           HA       ASP  20   5.437 -13.688   7.883
  152    HB2  ASP  20           2HB      ASP  20   6.261 -15.582   9.255
  153    HB3  ASP  20           3HB      ASP  20   4.674 -16.331   9.201
  154    H    ASN  21           H        ASN  21   2.278 -13.653   8.885
  155    HA   ASN  21           HA       ASN  21   0.988 -14.970   6.661
  156    HB2  ASN  21           2HB      ASN  21  -0.106 -13.272   8.945
  157    HB3  ASN  21           3HB      ASN  21  -1.118 -14.051   7.737
  158   HD21  ASN  21          1HD2      ASN  21   0.322 -16.501   7.542
  159   HD22  ASN  21          2HD2      ASN  21   0.095 -17.361   9.022
  160    H    ALA  22           H        ALA  22   2.334 -13.647   5.156
  161    HA   ALA  22           HA       ALA  22   1.934 -10.876   4.757
  162    HB1  ALA  22           3HB      ALA  22   3.959 -12.053   4.006
  163    HB2  ALA  22           1HB      ALA  22   3.168 -11.235   2.658
  164    HB3  ALA  22           2HB      ALA  22   3.004 -12.983   2.851
  165    H    SER  23           H        SER  23   0.580 -13.782   3.232
  166    HA   SER  23           HA       SER  23  -0.967 -12.529   1.245
  167    HB2  SER  23           2HB      SER  23  -0.327 -14.927   1.220
  168    HB3  SER  23           3HB      SER  23  -1.411 -15.231   2.574
  169    HG   SER  23           HG       SER  23  -2.331 -14.092   0.149
  170    H    ARG  24           H        ARG  24  -1.682 -13.140   4.683
  171    HA   ARG  24           HA       ARG  24  -4.500 -12.598   4.494
  172    HB2  ARG  24           2HB      ARG  24  -2.633 -12.597   6.908
  173    HB3  ARG  24           3HB      ARG  24  -4.395 -12.571   6.979
  174    HG2  ARG  24           2HG      ARG  24  -2.698 -14.833   5.863
  175    HG3  ARG  24           3HG      ARG  24  -3.493 -14.814   7.438
  176    HD2  ARG  24           2HD      ARG  24  -5.689 -14.745   6.361
  177    HD3  ARG  24           3HD      ARG  24  -4.934 -14.668   4.765
  178    HE   ARG  24           HE       ARG  24  -4.100 -16.976   6.236
  179   HH11  ARG  24          1HH1      ARG  24  -6.764 -15.766   4.275
  180   HH12  ARG  24          2HH1      ARG  24  -7.266 -17.348   3.779
  181   HH21  ARG  24          1HH2      ARG  24  -4.759 -19.034   5.568
  182   HH22  ARG  24          2HH2      ARG  24  -6.124 -19.212   4.513
  183    H    ALA  25           H        ALA  25  -1.593 -10.797   5.394
  184    HA   ALA  25           HA       ALA  25  -2.777  -8.299   6.042
  185    HB1  ALA  25           3HB      ALA  25  -0.467  -8.882   6.648
  186    HB2  ALA  25           1HB      ALA  25  -0.510  -7.393   5.704
  187    HB3  ALA  25           2HB      ALA  25  -0.012  -8.910   4.944
  188    H    LEU  26           H        LEU  26  -1.784  -9.832   3.075
  189    HA   LEU  26           HA       LEU  26  -1.782  -7.678   1.268
  190    HB2  LEU  26           2HB      LEU  26  -0.871 -10.022   0.866
  191    HB3  LEU  26           3HB      LEU  26  -2.523 -10.567   0.663
  192    HG   LEU  26           HG       LEU  26  -2.717  -8.910  -1.283
  193   HD11  LEU  26          1HD1      LEU  26  -0.619  -8.166  -2.336
  194   HD12  LEU  26          2HD1      LEU  26   0.303  -8.789  -0.967
  195   HD13  LEU  26          3HD1      LEU  26  -0.830  -7.455  -0.740
  196   HD21  LEU  26          3HD2      LEU  26  -0.717 -11.184  -1.543
  197   HD22  LEU  26          1HD2      LEU  26  -1.561 -10.401  -2.883
  198   HD23  LEU  26          2HD2      LEU  26  -2.473 -11.312  -1.682
  199    H    ALA  27           H        ALA  27  -4.264 -10.122   1.984
  200    HA   ALA  27           HA       ALA  27  -6.426  -9.218   0.548
  201    HB1  ALA  27           3HB      ALA  27  -6.376 -11.346   1.775
  202    HB2  ALA  27           1HB      ALA  27  -7.829 -10.426   2.176
  203    HB3  ALA  27           2HB      ALA  27  -6.474 -10.481   3.309
  204    H    LEU  28           H        LEU  28  -5.453  -8.161   3.834
  205    HA   LEU  28           HA       LEU  28  -7.699  -6.504   4.321
  206    HB2  LEU  28           2HB      LEU  28  -4.924  -6.352   5.561
  207    HB3  LEU  28           3HB      LEU  28  -6.337  -5.476   6.145
  208    HG   LEU  28           HG       LEU  28  -5.913  -8.489   6.175
  209   HD11  LEU  28          1HD1      LEU  28  -6.134  -8.259   8.607
  210   HD12  LEU  28          2HD1      LEU  28  -6.338  -6.512   8.439
  211   HD13  LEU  28          3HD1      LEU  28  -4.807  -7.271   7.997
  212   HD21  LEU  28          3HD2      LEU  28  -8.243  -8.072   5.551
  213   HD22  LEU  28          1HD2      LEU  28  -8.435  -6.963   6.915
  214   HD23  LEU  28          2HD2      LEU  28  -8.151  -8.684   7.200
  215    H    PHE  29           H        PHE  29  -4.499  -5.738   2.960
  216    HA   PHE  29           HA       PHE  29  -4.952  -2.916   2.798
  217    HB2  PHE  29           2HB      PHE  29  -2.904  -4.711   1.449
  218    HB3  PHE  29           3HB      PHE  29  -2.931  -2.965   1.265
  219    HD1  PHE  29           HD1      PHE  29  -3.328  -1.917   3.951
  220    HD2  PHE  29           HD2      PHE  29  -1.000  -5.287   2.699
  221    HE1  PHE  29           HE1      PHE  29  -1.845  -1.633   5.893
  222    HE2  PHE  29           HE2      PHE  29   0.471  -4.990   4.651
  223    HZ   PHE  29           HZ       PHE  29   0.049  -3.163   6.252
  224    H    GLU  30           H        GLU  30  -5.086  -5.572   0.388
  225    HA   GLU  30           HA       GLU  30  -5.849  -4.186  -1.878
  226    HB2  GLU  30           2HB      GLU  30  -6.695  -6.977  -0.988
  227    HB3  GLU  30           3HB      GLU  30  -6.964  -6.340  -2.608
  228    HG2  GLU  30           2HG      GLU  30  -4.546  -6.161  -2.972
  229    HG3  GLU  30           3HG      GLU  30  -4.239  -6.722  -1.329
  230    H    GLU  31           H        GLU  31  -7.940  -5.468   0.722
  231    HA   GLU  31           HA       GLU  31 -10.366  -4.586  -0.463
  232    HB2  GLU  31           2HB      GLU  31 -10.142  -6.419   1.316
  233    HB3  GLU  31           3HB      GLU  31 -10.039  -5.119   2.503
  234    HG2  GLU  31           2HG      GLU  31 -12.267  -4.261   1.573
  235    HG3  GLU  31           3HG      GLU  31 -12.368  -5.760   0.655
  236    H    LEU  32           H        LEU  32  -8.119  -3.101   1.839
  237    HA   LEU  32           HA       LEU  32  -9.607  -0.834   2.556
  238    HB2  LEU  32           2HB      LEU  32  -6.654  -1.400   2.405
  239    HB3  LEU  32           3HB      LEU  32  -7.170   0.265   2.635
  240    HG   LEU  32           HG       LEU  32  -8.098  -1.939   4.512
  241   HD11  LEU  32          1HD1      LEU  32  -5.643  -1.970   4.580
  242   HD12  LEU  32          2HD1      LEU  32  -6.297  -1.287   6.066
  243   HD13  LEU  32          3HD1      LEU  32  -5.609  -0.223   4.837
  244   HD21  LEU  32          3HD2      LEU  32  -9.377   0.172   4.548
  245   HD22  LEU  32          1HD2      LEU  32  -7.888   1.078   4.837
  246   HD23  LEU  32          2HD2      LEU  32  -8.486  -0.056   6.051
  247    H    VAL  33           H        VAL  33  -7.488  -1.365  -0.278
  248    HA   VAL  33           HA       VAL  33  -7.655   1.148  -1.483
  249    HB   VAL  33           HB       VAL  33  -7.327  -1.629  -2.727
  250   HG11  VAL  33          1HG1      VAL  33  -6.409  -0.509  -4.756
  251   HG12  VAL  33          2HG1      VAL  33  -6.879   1.056  -4.087
  252   HG13  VAL  33          3HG1      VAL  33  -8.115  -0.129  -4.503
  253   HG21  VAL  33          3HG2      VAL  33  -5.294   0.519  -2.029
  254   HG22  VAL  33          1HG2      VAL  33  -4.920  -0.993  -2.866
  255   HG23  VAL  33          2HG2      VAL  33  -5.516  -1.025  -1.207
  256    H    GLU  34           H        GLU  34  -9.670  -1.760  -2.127
  257    HA   GLU  34           HA       GLU  34 -11.353  -0.435  -3.989
  258    HB2  GLU  34           2HB      GLU  34 -12.695  -2.478  -4.006
  259    HB3  GLU  34           3HB      GLU  34 -10.976  -2.843  -4.092
  260    HG2  GLU  34           2HG      GLU  34 -11.028  -3.318  -1.625
  261    HG3  GLU  34           3HG      GLU  34 -12.779  -3.131  -1.672
  262    H    THR  35           H        THR  35 -11.692  -0.779  -0.435
  263    HA   THR  35           HA       THR  35 -14.465   0.107  -0.518
  264    HB   THR  35           HB       THR  35 -13.693  -1.604   1.178
  265    HG1  THR  35           HG1      THR  35 -15.229   0.633   1.657
  266   HG21  THR  35          3HG2      THR  35 -12.530  -0.855   3.207
  267   HG22  THR  35          1HG2      THR  35 -12.368   0.774   2.547
  268   HG23  THR  35          2HG2      THR  35 -11.517  -0.576   1.792
  269    H    ASP  36           H        ASP  36 -11.277   1.434   0.083
  270    HA   ASP  36           HA       ASP  36 -12.349   4.147   0.063
  271    HB2  ASP  36           2HB      ASP  36 -12.129   3.564   2.505
  272    HB3  ASP  36           3HB      ASP  36 -10.426   3.224   2.242
  273    HA   PRO  37           HA       PRO  37  -8.688   3.779  -2.740
  274    HB2  PRO  37           2HB      PRO  37  -9.594   5.876  -4.347
  275    HB3  PRO  37           3HB      PRO  37  -9.975   4.170  -4.605
  276    HG2  PRO  37           2HG      PRO  37 -11.602   6.285  -3.203
  277    HG3  PRO  37           3HG      PRO  37 -12.133   5.054  -4.371
  278    HD2  PRO  37           2HD      PRO  37 -12.548   4.722  -1.752
  279    HD3  PRO  37           3HD      PRO  37 -12.089   3.338  -2.773
  280    H    ASP  38           H        ASP  38  -9.813   6.074  -0.518
  281    HA   ASP  38           HA       ASP  38  -7.808   8.121  -1.150
  282    HB2  ASP  38           2HB      ASP  38 -10.282   8.137   0.613
  283    HB3  ASP  38           3HB      ASP  38  -9.159   9.491   0.512
  284    H    TYR  39           H        TYR  39  -7.337   5.400   0.462
  285    HA   TYR  39           HA       TYR  39  -6.358   6.647   2.981
  286    HB2  TYR  39           2HB      TYR  39  -7.987   4.641   3.189
  287    HB3  TYR  39           3HB      TYR  39  -6.684   3.640   2.555
  288    HD1  TYR  39           HD1      TYR  39  -7.696   5.811   5.413
  289    HD2  TYR  39           HD2      TYR  39  -4.794   3.023   3.993
  290    HE1  TYR  39           HE1      TYR  39  -6.753   5.615   7.682
  291    HE2  TYR  39           HE2      TYR  39  -3.869   2.815   6.249
  292    HH   TYR  39           HH       TYR  39  -5.448   4.042   9.016
  293    H    VAL  40           H        VAL  40  -4.406   7.383   2.393
  294    HA   VAL  40           HA       VAL  40  -2.831   6.399   0.268
  295    HB   VAL  40           HB       VAL  40  -1.989   8.249   2.547
  296   HG11  VAL  40          1HG1      VAL  40  -0.911   7.988  -0.286
  297   HG12  VAL  40          2HG1      VAL  40  -0.079   7.527   1.201
  298   HG13  VAL  40          3HG1      VAL  40  -0.430   9.222   0.876
  299   HG21  VAL  40          3HG2      VAL  40  -3.372   8.983  -0.062
  300   HG22  VAL  40          1HG2      VAL  40  -2.722  10.138   1.108
  301   HG23  VAL  40          2HG2      VAL  40  -4.068   9.090   1.556
  302    H    GLY  41           H        GLY  41  -2.751   5.847   3.755
  303    HA2  GLY  41           2HA      GLY  41  -0.156   4.816   4.111
  304    HA3  GLY  41           3HA      GLY  41  -1.543   4.475   5.135
  305    H    THR  42           H        THR  42  -3.167   3.243   3.140
  306    HA   THR  42           HA       THR  42  -2.398   0.567   3.177
  307    HB   THR  42           HB       THR  42  -4.292   2.036   1.296
  308    HG1  THR  42           HG1      THR  42  -5.802   1.524   2.765
  309   HG21  THR  42          3HG2      THR  42  -5.293  -0.180   0.831
  310   HG22  THR  42          1HG2      THR  42  -3.994  -0.955   1.743
  311   HG23  THR  42          2HG2      THR  42  -3.632  -0.086   0.250
  312    H    TYR  43           H        TYR  43  -2.081   2.992   0.571
  313    HA   TYR  43           HA       TYR  43  -1.435   1.214  -1.484
  314    HB2  TYR  43           2HB      TYR  43  -1.019   4.204  -1.213
  315    HB3  TYR  43           3HB      TYR  43  -0.607   3.329  -2.693
  316    HD1  TYR  43           HD2      TYR  43  -2.412   2.026  -3.894
  317    HD2  TYR  43           HD1      TYR  43  -3.346   4.782  -0.765
  318    HE1  TYR  43           HE2      TYR  43  -4.738   2.079  -4.640
  319    HE2  TYR  43           HE1      TYR  43  -5.685   4.816  -1.517
  320    HH   TYR  43           HH       TYR  43  -6.903   4.353  -3.722
  321    H    TYR  44           H        TYR  44   0.798   3.235   0.463
  322    HA   TYR  44           HA       TYR  44   3.172   2.383  -0.681
  323    HB2  TYR  44           2HB      TYR  44   2.829   4.259   1.018
  324    HB3  TYR  44           3HB      TYR  44   2.829   3.029   2.280
  325    HD1  TYR  44           HD1      TYR  44   4.904   4.243  -0.612
  326    HD2  TYR  44           HD2      TYR  44   4.931   2.448   3.273
  327    HE1  TYR  44           HE1      TYR  44   7.353   4.330  -0.582
  328    HE2  TYR  44           HE2      TYR  44   7.381   2.545   3.306
  329    HH   TYR  44           HH       TYR  44   9.181   4.320   0.953
  330    H    HIS  45           H        HIS  45   1.554   1.062   2.194
  331    HA   HIS  45           HA       HIS  45   3.537  -0.932   2.696
  332    HB2  HIS  45           2HB      HIS  45   0.752  -0.541   3.871
  333    HB3  HIS  45           3HB      HIS  45   1.902  -1.741   4.459
  334    HD1  HIS  45           HD1      HIS  45   3.337  -0.950   6.332
  335    HD2  HIS  45           HD2      HIS  45   1.952   2.214   4.036
  336    HE1  HIS  45           HE1      HIS  45   4.207   1.126   7.437
  337    HE2  HIS  45           HE2      HIS  45   3.143   3.011   6.172
  338    H    LEU  46           H        LEU  46   0.587  -0.965   0.851
  339    HA   LEU  46           HA       LEU  46   0.354  -3.808   0.524
  340    HB2  LEU  46           2HB      LEU  46  -1.610  -2.365   0.233
  341    HB3  LEU  46           3HB      LEU  46  -0.820  -1.495  -1.070
  342    HG   LEU  46           HG       LEU  46  -0.910  -3.497  -2.510
  343   HD11  LEU  46          1HD1      LEU  46  -0.713  -5.265  -0.800
  344   HD12  LEU  46          2HD1      LEU  46  -2.078  -5.538  -1.877
  345   HD13  LEU  46          3HD1      LEU  46  -2.356  -4.918  -0.253
  346   HD21  LEU  46          3HD2      LEU  46  -3.328  -3.629  -2.867
  347   HD22  LEU  46          1HD2      LEU  46  -2.813  -1.965  -2.593
  348   HD23  LEU  46          2HD2      LEU  46  -3.615  -2.866  -1.302
  349    H    GLY  47           H        GLY  47   1.808  -1.123  -1.277
  350    HA2  GLY  47           2HA      GLY  47   2.482  -2.557  -3.632
  351    HA3  GLY  47           3HA      GLY  47   3.130  -1.008  -3.122
  352    H    LYS  48           H        LYS  48   4.381  -1.605  -0.752
  353    HA   LYS  48           HA       LYS  48   6.847  -2.714  -1.545
  354    HB2  LYS  48           2HB      LYS  48   5.836  -2.422   1.320
  355    HB3  LYS  48           3HB      LYS  48   7.515  -2.584   0.813
  356    HG2  LYS  48           2HG      LYS  48   5.689  -0.218   0.288
  357    HG3  LYS  48           3HG      LYS  48   7.002  -0.277   1.455
  358    HD2  LYS  48           2HD      LYS  48   7.422  -0.542  -1.552
  359    HD3  LYS  48           3HD      LYS  48   7.450   1.002  -0.705
  360    HE2  LYS  48           2HE      LYS  48   9.720   0.285  -1.027
  361    HE3  LYS  48           3HE      LYS  48   9.346   0.135   0.685
  362    HZ1  LYS  48           3HZ      LYS  48   9.322  -2.105  -1.256
  363    HZ2  LYS  48           1HZ      LYS  48   9.129  -2.221   0.420
  364    HZ3  LYS  48           2HZ      LYS  48  10.609  -1.735  -0.227
  365    H    LEU  49           H        LEU  49   4.074  -4.074   0.191
  366    HA   LEU  49           HA       LEU  49   5.087  -6.643   0.767
  367    HB2  LEU  49           2HB      LEU  49   3.144  -5.751   1.885
  368    HB3  LEU  49           3HB      LEU  49   2.265  -5.608   0.373
  369    HG   LEU  49           HG       LEU  49   2.027  -8.044   0.205
  370   HD11  LEU  49          1HD1      LEU  49   4.156  -8.787   1.130
  371   HD12  LEU  49          2HD1      LEU  49   2.825  -9.557   1.988
  372   HD13  LEU  49          3HD1      LEU  49   3.693  -8.216   2.736
  373   HD21  LEU  49          3HD2      LEU  49   0.603  -8.440   2.173
  374   HD22  LEU  49          1HD2      LEU  49   0.348  -6.821   1.525
  375   HD23  LEU  49          2HD2      LEU  49   1.311  -7.046   2.989
  376    H    TYR  50           H        TYR  50   3.219  -5.453  -2.029
  377    HA   TYR  50           HA       TYR  50   3.010  -7.748  -3.558
  378    HB2  TYR  50           2HB      TYR  50   3.147  -4.819  -4.262
  379    HB3  TYR  50           3HB      TYR  50   3.260  -5.980  -5.575
  380    HD1  TYR  50           HD2      TYR  50   1.336  -8.079  -4.649
  381    HD2  TYR  50           HD1      TYR  50   1.001  -3.815  -4.625
  382    HE1  TYR  50           HE2      TYR  50  -1.102  -8.268  -4.796
  383    HE2  TYR  50           HE1      TYR  50  -1.441  -4.018  -4.789
  384    HH   TYR  50           HH       TYR  50  -3.080  -6.964  -4.275
  385    H    GLU  51           H        GLU  51   5.726  -5.448  -3.459
  386    HA   GLU  51           HA       GLU  51   7.326  -6.554  -5.486
  387    HB2  GLU  51           2HB      GLU  51   8.137  -5.030  -2.982
  388    HB3  GLU  51           3HB      GLU  51   9.188  -5.300  -4.376
  389    HG2  GLU  51           2HG      GLU  51   7.807  -3.945  -5.785
  390    HG3  GLU  51           3HG      GLU  51   6.523  -3.882  -4.582
  391    H    ARG  52           H        ARG  52   7.029  -7.419  -2.065
  392    HA   ARG  52           HA       ARG  52   9.246  -9.202  -1.835
  393    HB2  ARG  52           2HB      ARG  52   6.608  -9.328  -0.313
  394    HB3  ARG  52           3HB      ARG  52   8.139 -10.040   0.196
  395    HG2  ARG  52           2HG      ARG  52   9.092  -7.806   0.531
  396    HG3  ARG  52           3HG      ARG  52   7.619  -7.064  -0.101
  397    HD2  ARG  52           2HD      ARG  52   7.521  -6.907   2.290
  398    HD3  ARG  52           3HD      ARG  52   6.349  -8.137   1.806
  399    HE   ARG  52           HE       ARG  52   8.978  -9.149   2.513
  400   HH11  ARG  52          1HH1      ARG  52   5.745  -8.480   3.716
  401   HH12  ARG  52          2HH1      ARG  52   5.950  -9.461   5.131
  402   HH21  ARG  52          1HH2      ARG  52   9.242 -10.377   4.390
  403   HH22  ARG  52          2HH2      ARG  52   7.942 -10.489   5.541
  404    H    LEU  53           H        LEU  53   5.907  -9.592  -2.875
  405    HA   LEU  53           HA       LEU  53   6.068 -12.476  -3.306
  406    HB2  LEU  53           2HB      LEU  53   3.870 -10.462  -3.934
  407    HB3  LEU  53           3HB      LEU  53   3.699 -12.210  -4.018
  408    HG   LEU  53           HG       LEU  53   4.246 -10.647  -1.452
  409   HD11  LEU  53          1HD1      LEU  53   1.917 -11.135  -0.839
  410   HD12  LEU  53          2HD1      LEU  53   1.649 -11.880  -2.418
  411   HD13  LEU  53          3HD1      LEU  53   2.000 -10.154  -2.303
  412   HD21  LEU  53          3HD2      LEU  53   5.146 -12.934  -1.345
  413   HD22  LEU  53          1HD2      LEU  53   3.588 -13.593  -1.858
  414   HD23  LEU  53          2HD2      LEU  53   3.738 -12.776  -0.301
  415    H    ASP  54           H        ASP  54   7.600 -10.255  -4.935
  416    HA   ASP  54           HA       ASP  54   8.347  -9.808  -6.993
  417    HB2  ASP  54           2HB      ASP  54   8.779 -12.301  -6.894
  418    HB3  ASP  54           3HB      ASP  54   7.273 -12.552  -7.769
  419    H    ARG  55           H        ARG  55   5.465  -9.286  -6.324
  420    HA   ARG  55           HA       ARG  55   4.242  -8.939  -8.980
  421    HB2  ARG  55           2HB      ARG  55   3.058  -8.383  -6.220
  422    HB3  ARG  55           3HB      ARG  55   2.190  -8.335  -7.749
  423    HG2  ARG  55           2HG      ARG  55   3.337 -10.795  -6.384
  424    HG3  ARG  55           3HG      ARG  55   1.630 -10.374  -6.561
  425    HD2  ARG  55           2HD      ARG  55   3.547 -11.069  -8.818
  426    HD3  ARG  55           3HD      ARG  55   2.288 -12.119  -8.166
  427    HE   ARG  55           HE       ARG  55   0.976  -9.839  -8.965
  428   HH11  ARG  55          1HH1      ARG  55   3.060 -12.135 -10.632
  429   HH12  ARG  55          2HH1      ARG  55   2.209 -11.984 -12.134
  430   HH21  ARG  55          1HH2      ARG  55  -0.077  -9.612 -10.944
  431   HH22  ARG  55          2HH2      ARG  55   0.441 -10.538 -12.321
  432    H    THR  56           H        THR  56   6.427  -7.506  -8.843
  433    HA   THR  56           HA       THR  56   6.361  -4.968  -7.598
  434    HB   THR  56           HB       THR  56   7.946  -5.722 -10.095
  435    HG1  THR  56           HG1      THR  56   9.500  -6.476  -8.677
  436   HG21  THR  56          3HG2      THR  56   9.603  -4.093  -9.246
  437   HG22  THR  56          1HG2      THR  56   8.527  -3.688  -7.906
  438   HG23  THR  56          2HG2      THR  56   8.054  -3.311  -9.564
  439    H    ASP  57           H        ASP  57   5.139  -6.102 -10.714
  440    HA   ASP  57           HA       ASP  57   4.594  -3.560 -11.887
  441    HB2  ASP  57           2HB      ASP  57   4.745  -5.542 -13.305
  442    HB3  ASP  57           3HB      ASP  57   3.439  -6.321 -12.430
  443    H    ASP  58           H        ASP  58   2.664  -5.831  -9.932
  444    HA   ASP  58           HA       ASP  58   0.244  -4.398  -9.751
  445    HB2  ASP  58           2HB      ASP  58   1.618  -6.249  -7.763
  446    HB3  ASP  58           3HB      ASP  58   0.046  -5.531  -7.429
  447    H    ALA  59           H        ALA  59   3.269  -4.169  -7.921
  448    HA   ALA  59           HA       ALA  59   2.497  -2.333  -5.944
  449    HB1  ALA  59           3HB      ALA  59   4.891  -1.920  -5.619
  450    HB2  ALA  59           1HB      ALA  59   5.254  -2.715  -7.153
  451    HB3  ALA  59           2HB      ALA  59   4.577  -3.644  -5.816
  452    H    ILE  60           H        ILE  60   3.992  -1.779  -9.164
  453    HA   ILE  60           HA       ILE  60   4.313   1.008  -9.024
  454    HB   ILE  60           HB       ILE  60   3.736  -0.580 -11.572
  455   HG12  ILE  60          2HG1      ILE  60   5.614  -1.664 -10.483
  456   HG13  ILE  60          3HG1      ILE  60   6.258  -0.721 -11.814
  457   HG21  ILE  60          1HG2      ILE  60   5.019   1.197 -12.735
  458   HG22  ILE  60          2HG2      ILE  60   5.185   2.071 -11.209
  459   HG23  ILE  60          3HG2      ILE  60   3.589   1.840 -11.925
  460   HD11  ILE  60          3HD1      ILE  60   7.677  -0.534  -9.903
  461   HD12  ILE  60          1HD1      ILE  60   6.335  -0.005  -8.890
  462   HD13  ILE  60          2HD1      ILE  60   6.915   1.025 -10.204
  463    H    ASP  61           H        ASP  61   1.601  -0.945 -10.153
  464    HA   ASP  61           HA       ASP  61  -0.085   1.154 -11.068
  465    HB2  ASP  61           2HB      ASP  61  -0.296  -1.231 -11.765
  466    HB3  ASP  61           3HB      ASP  61  -0.795  -1.671 -10.140
  467    H    THR  62           H        THR  62   0.240  -0.523  -7.971
  468    HA   THR  62           HA       THR  62  -1.957   0.600  -6.587
  469    HB   THR  62           HB       THR  62   0.664  -0.556  -5.504
  470    HG1  THR  62           HG1      THR  62  -0.276  -2.317  -6.206
  471   HG21  THR  62          3HG2      THR  62  -1.950  -0.050  -4.032
  472   HG22  THR  62          1HG2      THR  62  -0.427   0.799  -3.754
  473   HG23  THR  62          2HG2      THR  62  -0.560  -0.921  -3.381
  474    H    TYR  63           H        TYR  63   1.488   1.539  -6.672
  475    HA   TYR  63           HA       TYR  63   1.329   3.800  -5.006
  476    HB2  TYR  63           2HB      TYR  63   3.279   3.313  -7.294
  477    HB3  TYR  63           3HB      TYR  63   3.475   4.519  -6.022
  478    HD1  TYR  63           HD2      TYR  63   2.839   3.020  -3.554
  479    HD2  TYR  63           HD1      TYR  63   5.017   1.765  -7.007
  480    HE1  TYR  63           HE2      TYR  63   4.076   1.388  -2.198
  481    HE2  TYR  63           HE1      TYR  63   6.247   0.146  -5.646
  482    HH   TYR  63           HH       TYR  63   6.803  -0.334  -3.440
  483    H    ALA  64           H        ALA  64   1.003   3.423  -8.535
  484    HA   ALA  64           HA       ALA  64   0.820   6.045  -9.392
  485    HB1  ALA  64           3HB      ALA  64  -0.425   5.159 -11.332
  486    HB2  ALA  64           1HB      ALA  64  -0.721   3.652 -10.456
  487    HB3  ALA  64           2HB      ALA  64   0.926   4.105 -10.906
  488    H    GLN  65           H        GLN  65  -1.772   3.951  -8.159
  489    HA   GLN  65           HA       GLN  65  -3.877   5.889  -8.471
  490    HB2  GLN  65           2HB      GLN  65  -3.878   3.175  -8.267
  491    HB3  GLN  65           3HB      GLN  65  -4.205   3.555  -6.586
  492    HG2  GLN  65           2HG      GLN  65  -5.855   4.636  -8.889
  493    HG3  GLN  65           3HG      GLN  65  -6.223   3.121  -8.077
  494   HE21  GLN  65          1HE2      GLN  65  -6.078   6.613  -7.721
  495   HE22  GLN  65          2HE2      GLN  65  -7.101   6.709  -6.331
  496    H    GLY  66           H        GLY  66  -1.777   4.796  -5.903
  497    HA2  GLY  66           2HA      GLY  66  -2.771   6.165  -3.693
  498    HA3  GLY  66           3HA      GLY  66  -1.103   5.666  -3.928
  499    H    ILE  67           H        ILE  67  -0.498   7.273  -6.195
  500    HA   ILE  67           HA       ILE  67   0.506   9.596  -5.008
  501    HB   ILE  67           HB       ILE  67   0.106   8.785  -7.914
  502   HG12  ILE  67          2HG1      ILE  67   2.688   8.980  -6.289
  503   HG13  ILE  67          3HG1      ILE  67   1.759   7.499  -6.474
  504   HG21  ILE  67          1HG2      ILE  67   0.158  11.250  -7.910
  505   HG22  ILE  67          2HG2      ILE  67   1.620  10.592  -8.642
  506   HG23  ILE  67          3HG2      ILE  67   1.669  11.226  -6.999
  507   HD11  ILE  67          3HD1      ILE  67   2.172   7.521  -8.868
  508   HD12  ILE  67          1HD1      ILE  67   3.676   7.585  -7.953
  509   HD13  ILE  67          2HD1      ILE  67   3.052   9.047  -8.711
  510    H    GLU  68           H        GLU  68  -2.347   9.054  -6.980
  511    HA   GLU  68           HA       GLU  68  -3.185  11.692  -7.459
  512    HB2  GLU  68           2HB      GLU  68  -4.933   9.206  -7.196
  513    HB3  GLU  68           3HB      GLU  68  -5.333  10.680  -8.083
  514    HG2  GLU  68           2HG      GLU  68  -3.490  10.221  -9.665
  515    HG3  GLU  68           3HG      GLU  68  -3.081   8.755  -8.778
  516    H    VAL  69           H        VAL  69  -3.962   9.414  -4.875
  517    HA   VAL  69           HA       VAL  69  -5.647  11.354  -3.474
  518    HB   VAL  69           HB       VAL  69  -6.172   9.616  -1.868
  519   HG11  VAL  69          1HG1      VAL  69  -6.334   8.564  -4.723
  520   HG12  VAL  69          2HG1      VAL  69  -7.457   9.700  -3.973
  521   HG13  VAL  69          3HG1      VAL  69  -7.344   8.049  -3.369
  522   HG21  VAL  69          3HG2      VAL  69  -5.307   7.296  -2.060
  523   HG22  VAL  69          1HG2      VAL  69  -4.009   8.441  -1.713
  524   HG23  VAL  69          2HG2      VAL  69  -4.211   7.809  -3.347
  525    H    ALA  70           H        ALA  70  -2.312  10.470  -3.447
  526    HA   ALA  70           HA       ALA  70  -1.750  10.779  -0.657
  527    HB1  ALA  70           3HB      ALA  70   0.153  10.913  -3.013
  528    HB2  ALA  70           1HB      ALA  70  -0.306   9.453  -2.136
  529    HB3  ALA  70           2HB      ALA  70   0.609  10.718  -1.316
  530    H    ARG  71           H        ARG  71  -1.353  12.827  -3.488
  531    HA   ARG  71           HA       ARG  71  -0.263  15.125  -2.301
  532    HB2  ARG  71           2HB      ARG  71  -1.088  16.284  -4.376
  533    HB3  ARG  71           3HB      ARG  71  -0.231  14.783  -4.722
  534    HG2  ARG  71           2HG      ARG  71  -2.359  13.608  -5.021
  535    HG3  ARG  71           3HG      ARG  71  -3.241  15.072  -4.615
  536    HD2  ARG  71           2HD      ARG  71  -2.190  16.146  -6.655
  537    HD3  ARG  71           3HD      ARG  71  -1.582  14.541  -7.089
  538    HE   ARG  71           HE       ARG  71  -4.284  14.198  -6.628
  539   HH11  ARG  71          1HH1      ARG  71  -2.409  16.149  -8.883
  540   HH12  ARG  71          2HH1      ARG  71  -3.656  16.134 -10.089
  541   HH21  ARG  71          1HH2      ARG  71  -5.903  14.245  -8.194
  542   HH22  ARG  71          2HH2      ARG  71  -5.622  15.059  -9.704
  543    H    GLU  72           H        GLU  72  -3.640  14.058  -2.614
  544    HA   GLU  72           HA       GLU  72  -4.725  16.654  -1.819
  545    HB2  GLU  72           2HB      GLU  72  -6.103  14.097  -2.722
  546    HB3  GLU  72           3HB      GLU  72  -6.933  15.612  -2.364
  547    HG2  GLU  72           2HG      GLU  72  -5.666  16.739  -4.162
  548    HG3  GLU  72           3HG      GLU  72  -4.835  15.234  -4.526
  549    H    GLU  73           H        GLU  73  -4.958  13.307  -0.662
  550    HA   GLU  73           HA       GLU  73  -6.426  13.980   1.722
  551    HB2  GLU  73           2HB      GLU  73  -5.169  11.366   0.794
  552    HB3  GLU  73           3HB      GLU  73  -6.157  11.517   2.247
  553    HG2  GLU  73           2HG      GLU  73  -7.081  12.077  -0.589
  554    HG3  GLU  73           3HG      GLU  73  -7.414  10.605   0.323
  555    H    GLY  74           H        GLY  74  -3.097  12.750   1.073
  556    HA2  GLY  74           2HA      GLY  74  -2.345  13.213   3.895
  557    HA3  GLY  74           3HA      GLY  74  -1.453  12.263   2.712
  558    H    THR  75           H        THR  75   0.346  13.593   3.629
  559    HA   THR  75           HA       THR  75   0.499  16.380   2.738
  560    HB   THR  75           HB       THR  75   2.754  16.368   3.798
  561    HG1  THR  75           HG1      THR  75   2.211  13.618   4.015
  562   HG21  THR  75          3HG2      THR  75   2.049  16.040   6.142
  563   HG22  THR  75          1HG2      THR  75   0.606  15.176   5.602
  564   HG23  THR  75          2HG2      THR  75   0.805  16.892   5.231
  565    H    GLN  76           H        GLN  76   2.611  17.032   1.602
  566    HA   GLN  76           HA       GLN  76   2.893  15.707  -0.896
  567    HB2  GLN  76           2HB      GLN  76   3.266  18.140  -0.578
  568    HB3  GLN  76           3HB      GLN  76   4.684  17.804   0.409
  569    HG2  GLN  76           2HG      GLN  76   5.837  16.839  -1.533
  570    HG3  GLN  76           3HG      GLN  76   4.401  17.076  -2.528
  571   HE21  GLN  76          1HE2      GLN  76   3.875  19.161  -3.229
  572   HE22  GLN  76          2HE2      GLN  76   4.996  20.476  -3.133
  573    H    LYS  77           H        LYS  77   4.423  15.232   2.189
  574    HA   LYS  77           HA       LYS  77   6.699  13.788   1.341
  575    HB2  LYS  77           2HB      LYS  77   6.565  14.549   3.640
  576    HB3  LYS  77           3HB      LYS  77   5.109  13.598   3.928
  577    HG2  LYS  77           2HG      LYS  77   6.333  11.522   3.746
  578    HG3  LYS  77           3HG      LYS  77   7.786  12.360   3.194
  579    HD2  LYS  77           2HD      LYS  77   8.035  13.416   5.402
  580    HD3  LYS  77           3HD      LYS  77   6.542  12.645   5.958
  581    HE2  LYS  77           2HE      LYS  77   8.591  11.450   6.727
  582    HE3  LYS  77           3HE      LYS  77   7.545  10.436   5.733
  583    HZ1  LYS  77           3HZ      LYS  77   8.994  10.782   3.853
  584    HZ2  LYS  77           1HZ      LYS  77   9.904  10.225   5.164
  585    HZ3  LYS  77           2HZ      LYS  77   9.959  11.853   4.735
  586    H    ASP  78           H        ASP  78   3.363  12.708   2.202
  587    HA   ASP  78           HA       ASP  78   3.628   9.945   1.723
  588    HB2  ASP  78           2HB      ASP  78   1.207  11.769   1.385
  589    HB3  ASP  78           3HB      ASP  78   1.114  10.022   1.220
  590    H    LEU  79           H        LEU  79   2.698  12.579  -0.440
  591    HA   LEU  79           HA       LEU  79   2.385  11.276  -2.867
  592    HB2  LEU  79           2HB      LEU  79   1.838  13.629  -2.506
  593    HB3  LEU  79           3HB      LEU  79   3.523  14.019  -2.211
  594    HG   LEU  79           HG       LEU  79   4.030  13.465  -4.617
  595   HD11  LEU  79          1HD1      LEU  79   2.195  11.927  -5.071
  596   HD12  LEU  79          2HD1      LEU  79   2.172  13.266  -6.215
  597   HD13  LEU  79          3HD1      LEU  79   1.018  13.234  -4.878
  598   HD21  LEU  79          3HD2      LEU  79   3.089  15.534  -5.544
  599   HD22  LEU  79          1HD2      LEU  79   3.660  15.803  -3.897
  600   HD23  LEU  79          2HD2      LEU  79   1.931  15.633  -4.216
  601    H    SER  80           H        SER  80   5.313  12.517  -1.338
  602    HA   SER  80           HA       SER  80   7.119  11.917  -3.457
  603    HB2  SER  80           2HB      SER  80   7.527  13.710  -1.759
  604    HB3  SER  80           3HB      SER  80   7.758  12.470  -0.526
  605    HG   SER  80           HG       SER  80   9.717  12.241  -1.213
  606    H    GLU  81           H        GLU  81   6.008  10.107  -0.625
  607    HA   GLU  81           HA       GLU  81   8.034   8.126  -0.541
  608    HB2  GLU  81           2HB      GLU  81   5.132   7.945   0.386
  609    HB3  GLU  81           3HB      GLU  81   6.381   6.765   0.773
  610    HG2  GLU  81           2HG      GLU  81   6.296   9.657   1.672
  611    HG3  GLU  81           3HG      GLU  81   5.934   8.250   2.656
  612    H    LEU  82           H        LEU  82   4.846   8.261  -2.081
  613    HA   LEU  82           HA       LEU  82   4.886   5.585  -3.106
  614    HB2  LEU  82           2HB      LEU  82   3.102   7.963  -3.721
  615    HB3  LEU  82           3HB      LEU  82   2.801   6.328  -4.304
  616    HG   LEU  82           HG       LEU  82   2.929   7.086  -1.347
  617   HD11  LEU  82          1HD1      LEU  82   0.482   6.564  -3.047
  618   HD12  LEU  82          2HD1      LEU  82   0.992   8.130  -2.418
  619   HD13  LEU  82          3HD1      LEU  82   0.506   6.856  -1.305
  620   HD21  LEU  82          3HD2      LEU  82   3.522   4.743  -1.758
  621   HD22  LEU  82          1HD2      LEU  82   2.039   4.510  -2.690
  622   HD23  LEU  82          2HD2      LEU  82   1.957   4.859  -0.961
  623    H    GLN  83           H        GLN  83   5.596   8.760  -4.485
  624    HA   GLN  83           HA       GLN  83   5.956   7.912  -7.185
  625    HB2  GLN  83           2HB      GLN  83   6.897  10.385  -5.682
  626    HB3  GLN  83           3HB      GLN  83   7.213  10.138  -7.401
  627    HG2  GLN  83           2HG      GLN  83   4.807  10.073  -7.858
  628    HG3  GLN  83           3HG      GLN  83   4.456  10.234  -6.140
  629   HE21  GLN  83          1HE2      GLN  83   6.522  12.263  -5.684
  630   HE22  GLN  83          2HE2      GLN  83   5.908  13.716  -6.382
  631    H    ASP  84           H        ASP  84   8.193   8.437  -4.456
  632    HA   ASP  84           HA       ASP  84  10.608   7.788  -5.776
  633    HB2  ASP  84           2HB      ASP  84  10.533   8.956  -3.586
  634    HB3  ASP  84           3HB      ASP  84   9.896   7.511  -2.819
  635    H    ALA  85           H        ALA  85   8.240   5.822  -4.014
  636    HA   ALA  85           HA       ALA  85   9.710   3.421  -3.900
  637    HB1  ALA  85           3HB      ALA  85   7.782   3.905  -2.429
  638    HB2  ALA  85           1HB      ALA  85   7.591   2.359  -3.262
  639    HB3  ALA  85           2HB      ALA  85   6.694   3.779  -3.810
  640    H    LYS  86           H        LYS  86   7.195   4.538  -6.199
  641    HA   LYS  86           HA       LYS  86   7.224   2.134  -7.702
  642    HB2  LYS  86           2HB      LYS  86   5.925   3.266  -9.412
  643    HB3  LYS  86           3HB      LYS  86   5.286   3.605  -7.815
  644    HG2  LYS  86           2HG      LYS  86   6.113   5.844  -7.849
  645    HG3  LYS  86           3HG      LYS  86   7.068   5.545  -9.304
  646    HD2  LYS  86           2HD      LYS  86   4.026   5.532  -9.135
  647    HD3  LYS  86           3HD      LYS  86   5.024   6.824  -9.812
  648    HE2  LYS  86           2HE      LYS  86   5.860   5.249 -11.544
  649    HE3  LYS  86           3HE      LYS  86   4.819   3.983 -10.890
  650    HZ1  LYS  86           3HZ      LYS  86   2.907   5.353 -11.420
  651    HZ2  LYS  86           1HZ      LYS  86   3.833   5.032 -12.797
  652    HZ3  LYS  86           2HZ      LYS  86   3.914   6.549 -12.055
  653    H    LEU  87           H        LEU  87   9.023   5.238  -8.159
  654    HA   LEU  87           HA       LEU  87   9.930   4.542 -10.759
  655    HB2  LEU  87           2HB      LEU  87  11.413   6.461 -10.666
  656    HB3  LEU  87           3HB      LEU  87   9.826   6.865 -10.051
  657    HG   LEU  87           HG       LEU  87  10.955   6.542  -7.668
  658   HD11  LEU  87          1HD1      LEU  87  13.416   7.083  -9.352
  659   HD12  LEU  87          2HD1      LEU  87  13.104   5.642  -8.382
  660   HD13  LEU  87          3HD1      LEU  87  13.329   7.198  -7.592
  661   HD21  LEU  87          3HD2      LEU  87  11.594   8.916  -7.616
  662   HD22  LEU  87          1HD2      LEU  87  10.073   8.680  -8.477
  663   HD23  LEU  87          2HD2      LEU  87  11.560   8.973  -9.381
  664    H    LYS  88           H        LYS  88  11.368   4.034  -7.541
  665    HA   LYS  88           HA       LYS  88  13.792   2.903  -8.596
  666    HB2  LYS  88           2HB      LYS  88  14.405   2.322  -6.346
  667    HB3  LYS  88           3HB      LYS  88  13.743   3.950  -6.359
  668    HG2  LYS  88           2HG      LYS  88  11.769   3.295  -5.230
  669    HG3  LYS  88           3HG      LYS  88  12.047   1.579  -5.543
  670    HD2  LYS  88           2HD      LYS  88  13.903   1.516  -4.005
  671    HD3  LYS  88           3HD      LYS  88  13.900   3.272  -3.826
  672    HE2  LYS  88           2HE      LYS  88  11.616   1.484  -2.954
  673    HE3  LYS  88           3HE      LYS  88  12.911   2.001  -1.878
  674    HZ1  LYS  88           3HZ      LYS  88  12.270   4.296  -2.280
  675    HZ2  LYS  88           1HZ      LYS  88  10.976   3.408  -1.659
  676    HZ3  LYS  88           2HZ      LYS  88  11.025   3.798  -3.302
  677    H    ALA  89           H        ALA  89  10.669   1.569  -7.591
  678    HA   ALA  89           HA       ALA  89  11.370  -1.171  -7.822
  679    HB1  ALA  89           3HB      ALA  89   9.446  -0.425  -6.530
  680    HB2  ALA  89           1HB      ALA  89   8.941  -1.562  -7.783
  681    HB3  ALA  89           2HB      ALA  89   8.666   0.170  -7.994
  682    H    GLU  90           H        GLU  90  10.251   1.212 -10.160
  683    HA   GLU  90           HA       GLU  90   9.960  -0.523 -12.405
  684    HB2  GLU  90           2HB      GLU  90  10.590   2.460 -12.267
  685    HB3  GLU  90           3HB      GLU  90  10.234   1.593 -13.762
  686    HG2  GLU  90           2HG      GLU  90   7.982   1.077 -12.955
  687    HG3  GLU  90           3HG      GLU  90   8.326   1.854 -11.418
  688    H    GLY  91           H        GLY  91  12.641   1.225 -10.903
  689    HA2  GLY  91           2HA      GLY  91  14.652   0.250 -12.745
  690    HA3  GLY  91           3HA      GLY  91  14.906   1.168 -11.270
  691    H    LEU  92           H        LEU  92  12.922  -1.628 -10.901
  692    HA   LEU  92           HA       LEU  92  15.196  -3.278  -9.984
  693    HB2  LEU  92           2HB      LEU  92  12.210  -3.562  -9.462
  694    HB3  LEU  92           3HB      LEU  92  13.419  -4.718  -8.924
  695    HG   LEU  92           HG       LEU  92  13.159  -1.830  -7.990
  696   HD11  LEU  92          1HD1      LEU  92  11.421  -3.276  -7.061
  697   HD12  LEU  92          2HD1      LEU  92  12.562  -2.784  -5.811
  698   HD13  LEU  92          3HD1      LEU  92  12.647  -4.414  -6.489
  699   HD21  LEU  92          3HD2      LEU  92  15.527  -2.442  -8.033
  700   HD22  LEU  92          1HD2      LEU  92  15.188  -3.924  -7.131
  701   HD23  LEU  92          2HD2      LEU  92  14.953  -2.348  -6.371
  702    H    GLU  93           H        GLU  93  12.333  -3.251 -12.099
  703    HA   GLU  93           HA       GLU  93  13.179  -5.826 -13.286
  704    HB2  GLU  93           2HB      GLU  93  10.756  -6.074 -13.972
  705    HB3  GLU  93           3HB      GLU  93  11.078  -6.145 -12.247
  706    HG2  GLU  93           2HG      GLU  93  10.243  -3.859 -11.959
  707    HG3  GLU  93           3HG      GLU  93   9.995  -3.714 -13.701
  708    H    HIS  94           H        HIS  94  11.604  -2.710 -14.295
  709    HA   HIS  94           HA       HIS  94  11.920  -3.256 -17.092
  710    HB2  HIS  94           2HB      HIS  94  10.208  -1.651 -16.194
  711    HB3  HIS  94           3HB      HIS  94  11.501  -0.544 -15.749
  712    HD1  HIS  94           HD1      HIS  94  10.968   1.365 -17.346
  713    HD2  HIS  94           HD2      HIS  94  11.202  -2.308 -19.279
  714    HE1  HIS  94           HE1      HIS  94  10.872   1.884 -19.797
  715    HE2  HIS  94           HE2      HIS  94  10.847  -0.361 -20.932
  716    H    HIS  95           H        HIS  95  13.788  -1.459 -14.698
  717    HA   HIS  95           HA       HIS  95  16.154  -1.553 -16.492
  718    HB2  HIS  95           2HB      HIS  95  15.753   0.281 -14.072
  719    HB3  HIS  95           3HB      HIS  95  17.112   0.299 -15.188
  720    HD1  HIS  95           HD1      HIS  95  14.785   2.553 -14.435
  721    HD2  HIS  95           HD2      HIS  95  15.442   0.556 -18.019
  722    HE1  HIS  95           HE1      HIS  95  13.787   4.010 -16.215
  723    HE2  HIS  95           HE2      HIS  95  14.391   2.884 -18.374
  724    H    HIS  96           H        HIS  96  16.723  -3.668 -15.944
  725    HA   HIS  96           HA       HIS  96  16.286  -5.008 -13.562
  726    HB2  HIS  96           2HB      HIS  96  18.460  -5.486 -15.634
  727    HB3  HIS  96           3HB      HIS  96  18.112  -6.608 -14.323
  728    HD1  HIS  96           HD1      HIS  96  17.165  -5.818 -17.728
  729    HD2  HIS  96           HD2      HIS  96  15.345  -7.667 -14.482
  730    HE1  HIS  96           HE1      HIS  96  15.292  -7.174 -18.689
  731    HE2  HIS  96           HE2      HIS  96  14.237  -8.327 -16.720
  732    H    HIS  97           H        HIS  97  17.081  -4.801 -11.563
  733    HA   HIS  97           HA       HIS  97  19.286  -3.003 -11.002
  734    HB2  HIS  97           2HB      HIS  97  17.123  -3.107  -9.670
  735    HB3  HIS  97           3HB      HIS  97  17.637  -4.666  -9.041
  736    HD1  HIS  97           HD1      HIS  97  19.746  -4.632  -7.426
  737    HD2  HIS  97           HD2      HIS  97  18.224  -0.897  -8.425
  738    HE1  HIS  97           HE1      HIS  97  20.807  -3.019  -5.823
  739    HE2  HIS  97           HE2      HIS  97  19.997  -0.755  -6.561
  740    H    HIS  98           H        HIS  98  20.876  -4.366 -12.134
  741    HA   HIS  98           HA       HIS  98  22.070  -6.458 -10.427
  742    HB2  HIS  98           2HB      HIS  98  20.783  -7.655 -12.149
  743    HB3  HIS  98           3HB      HIS  98  21.536  -6.711 -13.426
  744    HD1  HIS  98           HD1      HIS  98  22.106  -9.642 -11.194
  745    HD2  HIS  98           HD2      HIS  98  24.201  -7.507 -14.077
  746    HE1  HIS  98           HE1      HIS  98  24.111 -11.041 -11.750
  747    HE2  HIS  98           HE2      HIS  98  25.428  -9.671 -13.400
  748    H    HIS  99           H        HIS  99  24.090  -5.907 -10.008
  749    HA   HIS  99           HA       HIS  99  25.730  -4.369 -11.945
  750    HB2  HIS  99           2HB      HIS  99  25.974  -4.607  -8.903
  751    HB3  HIS  99           3HB      HIS  99  27.117  -3.751  -9.932
  752    HD1  HIS  99           HD1      HIS  99  26.458  -1.405 -10.729
  753    HD2  HIS  99           HD2      HIS  99  23.464  -3.287  -8.545
  754    HE1  HIS  99           HE1      HIS  99  24.803   0.390 -10.168
  755    HE2  HIS  99           HE2      HIS  99  22.913  -0.809  -9.020
  Start of MODEL   11
    1    H1   GLU   1           1H       GLU   1 -12.564  -0.627  17.974
    2    H2   GLU   1           2H       GLU   1 -11.376  -0.330  19.139
    3    H3   GLU   1           3H       GLU   1 -12.272  -1.766  19.195
    4    HA   GLU   1           HA       GLU   1 -10.385  -0.954  17.070
    5    HB2  GLU   1           2HB      GLU   1 -10.114  -3.204  19.115
    6    HB3  GLU   1           3HB      GLU   1  -8.920  -2.734  17.903
    7    HG2  GLU   1           2HG      GLU   1  -8.807  -0.471  19.069
    8    HG3  GLU   1           3HG      GLU   1  -9.783  -1.169  20.358
    9    H    ASP   2           H        ASP   2 -12.059  -1.281  15.559
   10    HA   ASP   2           HA       ASP   2 -13.145  -4.008  15.236
   11    HB2  ASP   2           2HB      ASP   2 -14.136  -1.359  14.066
   12    HB3  ASP   2           3HB      ASP   2 -14.921  -2.927  13.881
   13    HA   PRO   3           HA       PRO   3 -10.475  -4.389  11.683
   14    HB2  PRO   3           2HB      PRO   3 -11.627  -6.473  10.363
   15    HB3  PRO   3           3HB      PRO   3 -10.836  -6.688  11.931
   16    HG2  PRO   3           2HG      PRO   3 -13.776  -6.322  11.333
   17    HG3  PRO   3           3HG      PRO   3 -12.993  -7.545  12.360
   18    HD2  PRO   3           2HD      PRO   3 -14.116  -5.306  13.396
   19    HD3  PRO   3           3HD      PRO   3 -12.668  -6.041  14.121
   20    H    GLU   4           H        GLU   4 -13.715  -3.291  11.402
   21    HA   GLU   4           HA       GLU   4 -13.673  -2.860   8.514
   22    HB2  GLU   4           2HB      GLU   4 -15.705  -1.925  10.578
   23    HB3  GLU   4           3HB      GLU   4 -15.908  -1.897   8.826
   24    HG2  GLU   4           2HG      GLU   4 -15.637  -4.445   8.887
   25    HG3  GLU   4           3HG      GLU   4 -15.753  -4.323  10.641
   26    H    ASP   5           H        ASP   5 -12.622  -1.224  11.316
   27    HA   ASP   5           HA       ASP   5 -12.559   1.451  10.252
   28    HB2  ASP   5           2HB      ASP   5 -12.474   1.102  12.694
   29    HB3  ASP   5           3HB      ASP   5 -10.997   0.161  12.538
   30    HA   PRO   6           HA       PRO   6  -9.264   0.838   7.204
   31    HB2  PRO   6           2HB      PRO   6  -8.686   3.704   7.997
   32    HB3  PRO   6           3HB      PRO   6  -8.757   2.981   6.379
   33    HG2  PRO   6           2HG      PRO   6 -10.821   4.383   7.287
   34    HG3  PRO   6           3HG      PRO   6 -11.103   2.869   6.398
   35    HD2  PRO   6           2HD      PRO   6 -11.301   3.396   9.356
   36    HD3  PRO   6           3HD      PRO   6 -12.281   2.329   8.329
   37    H    PHE   7           H        PHE   7  -8.191   2.833  10.017
   38    HA   PHE   7           HA       PHE   7  -5.457   2.130   9.746
   39    HB2  PHE   7           2HB      PHE   7  -6.041   4.212  10.830
   40    HB3  PHE   7           3HB      PHE   7  -6.977   3.379  12.066
   41    HD1  PHE   7           HD1      PHE   7  -3.454   3.532  10.727
   42    HD2  PHE   7           HD2      PHE   7  -5.938   3.010  14.167
   43    HE1  PHE   7           HE1      PHE   7  -1.463   3.445  12.156
   44    HE2  PHE   7           HE2      PHE   7  -3.933   2.925  15.587
   45    HZ   PHE   7           HZ       PHE   7  -1.694   3.145  14.590
   46    H    THR   8           H        THR   8  -8.091   0.662  11.587
   47    HA   THR   8           HA       THR   8  -6.449  -0.917  13.312
   48    HB   THR   8           HB       THR   8  -9.378  -1.343  12.565
   49    HG1  THR   8           HG1      THR   8  -8.635   0.734  13.594
   50   HG21  THR   8          3HG2      THR   8  -9.550  -2.555  14.713
   51   HG22  THR   8          1HG2      THR   8  -7.818  -2.347  14.979
   52   HG23  THR   8          2HG2      THR   8  -8.393  -3.347  13.647
   53    H    ARG   9           H        ARG   9  -8.161  -1.643  10.234
   54    HA   ARG   9           HA       ARG   9  -7.295  -4.399  10.107
   55    HB2  ARG   9           2HB      ARG   9  -8.430  -4.547   8.014
   56    HB3  ARG   9           3HB      ARG   9  -9.404  -3.489   9.014
   57    HG2  ARG   9           2HG      ARG   9  -7.876  -1.646   7.678
   58    HG3  ARG   9           3HG      ARG   9  -7.966  -2.924   6.476
   59    HD2  ARG   9           2HD      ARG   9 -10.273  -1.414   7.739
   60    HD3  ARG   9           3HD      ARG   9  -9.754  -1.360   6.055
   61    HE   ARG   9           HE       ARG   9 -10.460  -4.001   6.672
   62   HH11  ARG   9          1HH1      ARG   9 -12.036  -0.887   6.228
   63   HH12  ARG   9          2HH1      ARG   9 -13.588  -1.593   5.924
   64   HH21  ARG   9          1HH2      ARG   9 -12.528  -4.885   6.302
   65   HH22  ARG   9          2HH2      ARG   9 -13.869  -3.832   5.970
   66    H    TYR  10           H        TYR  10  -6.061  -1.345   9.030
   67    HA   TYR  10           HA       TYR  10  -3.928  -2.141   7.345
   68    HB2  TYR  10           2HB      TYR  10  -4.608   0.150   7.334
   69    HB3  TYR  10           3HB      TYR  10  -4.478   0.292   9.076
   70    HD1  TYR  10           HD2      TYR  10  -2.341  -0.224   6.010
   71    HD2  TYR  10           HD1      TYR  10  -2.553   1.315   9.999
   72    HE1  TYR  10           HE2      TYR  10  -0.131   0.820   5.735
   73    HE2  TYR  10           HE1      TYR  10  -0.351   2.356   9.713
   74    HH   TYR  10           HH       TYR  10   1.647   2.068   8.337
   75    H    ALA  11           H        ALA  11  -4.067  -1.434  10.831
   76    HA   ALA  11           HA       ALA  11  -1.376  -2.052  11.475
   77    HB1  ALA  11           3HB      ALA  11  -2.798  -0.665  12.937
   78    HB2  ALA  11           1HB      ALA  11  -2.153  -2.048  13.822
   79    HB3  ALA  11           2HB      ALA  11  -3.830  -2.052  13.275
   80    H    LEU  12           H        LEU  12  -4.349  -3.957  11.369
   81    HA   LEU  12           HA       LEU  12  -3.364  -6.354  12.530
   82    HB2  LEU  12           2HB      LEU  12  -5.772  -5.781  12.398
   83    HB3  LEU  12           3HB      LEU  12  -5.716  -5.913  10.650
   84    HG   LEU  12           HG       LEU  12  -5.321  -8.337  10.802
   85   HD11  LEU  12          1HD1      LEU  12  -5.398  -9.543  12.944
   86   HD12  LEU  12          2HD1      LEU  12  -5.410  -8.008  13.818
   87   HD13  LEU  12          3HD1      LEU  12  -4.006  -8.464  12.847
   88   HD21  LEU  12          3HD2      LEU  12  -7.687  -7.461  12.499
   89   HD22  LEU  12          1HD2      LEU  12  -7.509  -9.028  11.699
   90   HD23  LEU  12          2HD2      LEU  12  -7.646  -7.561  10.737
   91    H    ALA  13           H        ALA  13  -3.474  -5.098   9.234
   92    HA   ALA  13           HA       ALA  13  -2.549  -7.393   7.858
   93    HB1  ALA  13           3HB      ALA  13  -2.030  -5.848   6.022
   94    HB2  ALA  13           1HB      ALA  13  -2.209  -4.468   7.105
   95    HB3  ALA  13           2HB      ALA  13  -3.605  -5.473   6.723
   96    H    GLN  14           H        GLN  14  -0.837  -4.609   9.288
   97    HA   GLN  14           HA       GLN  14   1.808  -5.360   8.661
   98    HB2  GLN  14           2HB      GLN  14   0.765  -3.760  11.033
   99    HB3  GLN  14           3HB      GLN  14   2.455  -3.838  10.536
  100    HG2  GLN  14           2HG      GLN  14   1.840  -2.778   8.367
  101    HG3  GLN  14           3HG      GLN  14   0.170  -2.660   8.920
  102   HE21  GLN  14          1HE2      GLN  14   3.425  -1.482   9.384
  103   HE22  GLN  14          2HE2      GLN  14   2.999  -0.076  10.290
  104    H    GLU  15           H        GLU  15  -0.283  -6.200  11.408
  105    HA   GLU  15           HA       GLU  15   1.576  -7.654  12.959
  106    HB2  GLU  15           2HB      GLU  15  -1.443  -7.943  12.715
  107    HB3  GLU  15           3HB      GLU  15  -0.478  -8.817  13.904
  108    HG2  GLU  15           2HG      GLU  15   0.219  -6.668  14.910
  109    HG3  GLU  15           3HG      GLU  15  -0.748  -5.799  13.720
  110    H    HIS  16           H        HIS  16  -0.722  -8.699  10.433
  111    HA   HIS  16           HA       HIS  16  -0.155 -11.441  10.440
  112    HB2  HIS  16           2HB      HIS  16  -1.208  -9.641   8.241
  113    HB3  HIS  16           3HB      HIS  16  -0.993 -11.370   7.992
  114    HD1  HIS  16           HD1      HIS  16  -2.164 -12.543  10.532
  115    HD2  HIS  16           HD2      HIS  16  -3.891  -9.368   8.499
  116    HE1  HIS  16           HE1      HIS  16  -4.589 -12.585  11.159
  117    HE2  HIS  16           HE2      HIS  16  -5.639 -10.760   9.785
  118    H    LEU  17           H        LEU  17   1.449  -8.793   8.685
  119    HA   LEU  17           HA       LEU  17   3.183 -10.328   7.080
  120    HB2  LEU  17           2HB      LEU  17   3.509  -7.562   8.283
  121    HB3  LEU  17           3HB      LEU  17   4.662  -8.240   7.141
  122    HG   LEU  17           HG       LEU  17   1.721  -7.691   6.549
  123   HD11  LEU  17          1HD1      LEU  17   4.177  -6.209   5.571
  124   HD12  LEU  17          2HD1      LEU  17   3.014  -5.615   6.757
  125   HD13  LEU  17          3HD1      LEU  17   2.503  -5.897   5.094
  126   HD21  LEU  17          3HD2      LEU  17   2.553  -9.620   5.280
  127   HD22  LEU  17          1HD2      LEU  17   3.915  -8.664   4.691
  128   HD23  LEU  17          2HD2      LEU  17   2.266  -8.242   4.227
  129    H    LYS  18           H        LYS  18   3.578  -9.076  10.379
  130    HA   LYS  18           HA       LYS  18   6.219 -10.129  10.778
  131    HB2  LYS  18           2HB      LYS  18   4.147  -9.126  12.769
  132    HB3  LYS  18           3HB      LYS  18   5.822  -9.502  13.174
  133    HG2  LYS  18           2HG      LYS  18   6.578  -7.722  11.599
  134    HG3  LYS  18           3HG      LYS  18   4.891  -7.337  11.249
  135    HD2  LYS  18           2HD      LYS  18   5.791  -5.740  12.871
  136    HD3  LYS  18           3HD      LYS  18   4.537  -6.723  13.629
  137    HE2  LYS  18           2HE      LYS  18   6.271  -8.113  14.704
  138    HE3  LYS  18           3HE      LYS  18   7.531  -7.153  13.927
  139    HZ1  LYS  18           3HZ      LYS  18   6.791  -5.227  15.148
  140    HZ2  LYS  18           1HZ      LYS  18   7.140  -6.489  16.219
  141    HZ3  LYS  18           2HZ      LYS  18   5.534  -6.110  15.856
  142    H    HIS  19           H        HIS  19   2.962 -11.327  11.329
  143    HA   HIS  19           HA       HIS  19   3.808 -13.753  12.675
  144    HB2  HIS  19           2HB      HIS  19   1.109 -12.699  11.778
  145    HB3  HIS  19           3HB      HIS  19   1.294 -14.334  12.395
  146    HD1  HIS  19           HD1      HIS  19   0.282 -14.313  14.650
  147    HD2  HIS  19           HD2      HIS  19   2.655 -10.955  14.025
  148    HE1  HIS  19           HE1      HIS  19   0.255 -13.050  16.815
  149    HE2  HIS  19           HE2      HIS  19   1.640 -10.991  16.395
  150    H    ASP  20           H        ASP  20   4.191 -12.897   9.572
  151    HA   ASP  20           HA       ASP  20   4.878 -14.059   7.760
  152    HB2  ASP  20           2HB      ASP  20   5.773 -15.808   9.233
  153    HB3  ASP  20           3HB      ASP  20   4.189 -16.555   9.368
  154    H    ASN  21           H        ASN  21   1.713 -14.013   8.846
  155    HA   ASN  21           HA       ASN  21   0.359 -15.439   6.729
  156    HB2  ASN  21           2HB      ASN  21  -0.734 -13.406   8.737
  157    HB3  ASN  21           3HB      ASN  21  -1.703 -14.476   7.727
  158   HD21  ASN  21          1HD2      ASN  21  -1.712 -16.747   8.224
  159   HD22  ASN  21          2HD2      ASN  21  -1.288 -17.296   9.801
  160    H    ALA  22           H        ALA  22   1.885 -14.070   5.166
  161    HA   ALA  22           HA       ALA  22   1.425 -11.341   4.659
  162    HB1  ALA  22           3HB      ALA  22   3.486 -12.506   3.979
  163    HB2  ALA  22           1HB      ALA  22   2.725 -11.711   2.602
  164    HB3  ALA  22           2HB      ALA  22   2.578 -13.457   2.807
  165    H    SER  23           H        SER  23  -0.013 -14.275   3.278
  166    HA   SER  23           HA       SER  23  -1.560 -13.215   1.228
  167    HB2  SER  23           2HB      SER  23  -3.012 -15.268   1.580
  168    HB3  SER  23           3HB      SER  23  -1.287 -15.613   1.458
  169    HG   SER  23           HG       SER  23  -1.484 -16.531   3.316
  170    H    ARG  24           H        ARG  24  -2.503 -13.662   4.687
  171    HA   ARG  24           HA       ARG  24  -5.108 -12.525   4.389
  172    HB2  ARG  24           2HB      ARG  24  -3.389 -13.131   6.830
  173    HB3  ARG  24           3HB      ARG  24  -5.013 -12.464   6.957
  174    HG2  ARG  24           2HG      ARG  24  -4.320 -15.126   5.668
  175    HG3  ARG  24           3HG      ARG  24  -4.969 -14.917   7.295
  176    HD2  ARG  24           2HD      ARG  24  -7.012 -13.895   6.346
  177    HD3  ARG  24           3HD      ARG  24  -6.372 -14.123   4.717
  178    HE   ARG  24           HE       ARG  24  -6.565 -16.558   6.281
  179   HH11  ARG  24          1HH1      ARG  24  -8.272 -14.473   4.016
  180   HH12  ARG  24          2HH1      ARG  24  -9.407 -15.701   3.560
  181   HH21  ARG  24          1HH2      ARG  24  -8.108 -18.144   5.667
  182   HH22  ARG  24          2HH2      ARG  24  -9.318 -17.764   4.484
  183    H    ALA  25           H        ALA  25  -1.939 -11.226   5.205
  184    HA   ALA  25           HA       ALA  25  -2.684  -8.589   5.973
  185    HB1  ALA  25           3HB      ALA  25  -0.442  -9.526   6.394
  186    HB2  ALA  25           1HB      ALA  25  -0.332  -8.013   5.495
  187    HB3  ALA  25           2HB      ALA  25  -0.118  -9.559   4.663
  188    H    LEU  26           H        LEU  26  -1.980 -10.114   2.894
  189    HA   LEU  26           HA       LEU  26  -1.858  -7.834   1.206
  190    HB2  LEU  26           2HB      LEU  26  -0.932 -10.103   0.643
  191    HB3  LEU  26           3HB      LEU  26  -2.568 -10.716   0.513
  192    HG   LEU  26           HG       LEU  26  -2.941  -9.056  -1.382
  193   HD11  LEU  26          1HD1      LEU  26  -1.156  -7.480  -0.894
  194   HD12  LEU  26          2HD1      LEU  26  -0.985  -8.128  -2.521
  195   HD13  LEU  26          3HD1      LEU  26   0.065  -8.712  -1.226
  196   HD21  LEU  26          3HD2      LEU  26  -1.784 -10.417  -3.078
  197   HD22  LEU  26          1HD2      LEU  26  -2.560 -11.418  -1.854
  198   HD23  LEU  26          2HD2      LEU  26  -0.814 -11.177  -1.816
  199    H    ALA  27           H        ALA  27  -4.359 -10.155   2.026
  200    HA   ALA  27           HA       ALA  27  -6.542  -9.228   0.587
  201    HB1  ALA  27           3HB      ALA  27  -6.536 -10.502   3.354
  202    HB2  ALA  27           1HB      ALA  27  -6.495 -11.368   1.816
  203    HB3  ALA  27           2HB      ALA  27  -7.913 -10.420   2.253
  204    H    LEU  28           H        LEU  28  -5.495  -8.266   3.892
  205    HA   LEU  28           HA       LEU  28  -7.610  -6.439   4.373
  206    HB2  LEU  28           2HB      LEU  28  -4.862  -6.614   5.647
  207    HB3  LEU  28           3HB      LEU  28  -6.157  -5.579   6.236
  208    HG   LEU  28           HG       LEU  28  -6.181  -8.617   6.164
  209   HD11  LEU  28          1HD1      LEU  28  -6.101  -6.692   8.505
  210   HD12  LEU  28          2HD1      LEU  28  -4.773  -7.704   7.934
  211   HD13  LEU  28          3HD1      LEU  28  -6.215  -8.453   8.612
  212   HD21  LEU  28          3HD2      LEU  28  -8.427  -7.778   5.695
  213   HD22  LEU  28          1HD2      LEU  28  -8.360  -6.728   7.115
  214   HD23  LEU  28          2HD2      LEU  28  -8.354  -8.484   7.305
  215    H    PHE  29           H        PHE  29  -4.383  -5.944   2.967
  216    HA   PHE  29           HA       PHE  29  -4.533  -3.094   2.899
  217    HB2  PHE  29           2HB      PHE  29  -2.796  -5.090   1.418
  218    HB3  PHE  29           3HB      PHE  29  -2.682  -3.366   1.121
  219    HD1  PHE  29           HD1      PHE  29  -2.677  -2.072   3.672
  220    HD2  PHE  29           HD2      PHE  29  -0.915  -5.823   2.608
  221    HE1  PHE  29           HE1      PHE  29  -1.008  -1.807   5.461
  222    HE2  PHE  29           HE2      PHE  29   0.740  -5.554   4.403
  223    HZ   PHE  29           HZ       PHE  29   0.699  -3.546   5.834
  224    H    GLU  30           H        GLU  30  -5.198  -5.640   0.485
  225    HA   GLU  30           HA       GLU  30  -6.099  -3.928  -1.595
  226    HB2  GLU  30           2HB      GLU  30  -6.533  -6.881  -1.033
  227    HB3  GLU  30           3HB      GLU  30  -7.190  -6.098  -2.464
  228    HG2  GLU  30           2HG      GLU  30  -4.836  -5.404  -3.070
  229    HG3  GLU  30           3HG      GLU  30  -4.266  -6.389  -1.723
  230    H    GLU  31           H        GLU  31  -7.662  -5.226   1.241
  231    HA   GLU  31           HA       GLU  31 -10.376  -4.675   0.502
  232    HB2  GLU  31           2HB      GLU  31  -9.758  -6.367   2.191
  233    HB3  GLU  31           3HB      GLU  31  -9.017  -5.126   3.185
  234    HG2  GLU  31           2HG      GLU  31 -11.269  -4.092   3.511
  235    HG3  GLU  31           3HG      GLU  31 -11.974  -5.425   2.589
  236    H    LEU  32           H        LEU  32  -7.800  -3.030   2.273
  237    HA   LEU  32           HA       LEU  32  -9.082  -0.691   3.085
  238    HB2  LEU  32           2HB      LEU  32  -6.252  -1.435   2.415
  239    HB3  LEU  32           3HB      LEU  32  -6.608   0.261   2.645
  240    HG   LEU  32           HG       LEU  32  -7.303  -1.784   4.773
  241   HD11  LEU  32          1HD1      LEU  32  -5.181  -1.284   5.889
  242   HD12  LEU  32          2HD1      LEU  32  -4.673  -0.287   4.529
  243   HD13  LEU  32          3HD1      LEU  32  -4.894  -2.023   4.318
  244   HD21  LEU  32          3HD2      LEU  32  -8.380   0.409   4.948
  245   HD22  LEU  32          1HD2      LEU  32  -6.805   1.212   4.859
  246   HD23  LEU  32          2HD2      LEU  32  -7.205   0.185   6.240
  247    H    VAL  33           H        VAL  33  -7.340  -1.387   0.043
  248    HA   VAL  33           HA       VAL  33  -7.550   1.110  -1.195
  249    HB   VAL  33           HB       VAL  33  -7.393  -1.659  -2.487
  250   HG11  VAL  33          1HG1      VAL  33  -8.245  -0.071  -4.159
  251   HG12  VAL  33          2HG1      VAL  33  -6.593  -0.539  -4.550
  252   HG13  VAL  33          3HG1      VAL  33  -6.912   1.038  -3.822
  253   HG21  VAL  33          3HG2      VAL  33  -5.208   0.385  -1.921
  254   HG22  VAL  33          1HG2      VAL  33  -4.981  -1.167  -2.732
  255   HG23  VAL  33          2HG2      VAL  33  -5.474  -1.120  -1.042
  256    H    GLU  34           H        GLU  34  -9.704  -1.719  -1.514
  257    HA   GLU  34           HA       GLU  34 -11.486  -0.483  -3.335
  258    HB2  GLU  34           2HB      GLU  34 -12.946  -2.433  -3.007
  259    HB3  GLU  34           3HB      GLU  34 -11.271  -2.903  -3.259
  260    HG2  GLU  34           2HG      GLU  34 -10.999  -3.310  -0.859
  261    HG3  GLU  34           3HG      GLU  34 -12.659  -2.800  -0.564
  262    H    THR  35           H        THR  35 -11.820  -0.915   0.292
  263    HA   THR  35           HA       THR  35 -14.465   0.248   0.256
  264    HB   THR  35           HB       THR  35 -14.389  -0.046   2.731
  265    HG1  THR  35           HG1      THR  35 -12.006  -1.451   2.760
  266   HG21  THR  35          3HG2      THR  35 -14.222  -2.512   2.806
  267   HG22  THR  35          1HG2      THR  35 -13.395  -2.512   1.245
  268   HG23  THR  35          2HG2      THR  35 -15.075  -1.988   1.356
  269    H    ASP  36           H        ASP  36 -11.213   1.325   1.003
  270    HA   ASP  36           HA       ASP  36 -12.126   4.099   1.411
  271    HB2  ASP  36           2HB      ASP  36 -11.711   2.855   3.655
  272    HB3  ASP  36           3HB      ASP  36 -10.010   2.831   3.210
  273    HA   PRO  37           HA       PRO  37  -8.616   3.850  -1.714
  274    HB2  PRO  37           2HB      PRO  37 -10.146   6.152  -2.871
  275    HB3  PRO  37           3HB      PRO  37  -9.532   4.703  -3.676
  276    HG2  PRO  37           2HG      PRO  37 -12.152   4.985  -3.208
  277    HG3  PRO  37           3HG      PRO  37 -11.365   3.400  -3.013
  278    HD2  PRO  37           2HD      PRO  37 -12.109   5.420  -0.892
  279    HD3  PRO  37           3HD      PRO  37 -12.384   3.660  -0.910
  280    H    ASP  38           H        ASP  38  -9.858   6.215   0.418
  281    HA   ASP  38           HA       ASP  38  -8.146   8.436  -0.146
  282    HB2  ASP  38           2HB      ASP  38  -9.645   7.846   2.449
  283    HB3  ASP  38           3HB      ASP  38  -9.112   9.424   1.867
  284    H    TYR  39           H        TYR  39  -7.963   5.600   1.901
  285    HA   TYR  39           HA       TYR  39  -5.943   6.519   3.681
  286    HB2  TYR  39           2HB      TYR  39  -7.640   4.514   3.948
  287    HB3  TYR  39           3HB      TYR  39  -6.399   3.567   3.134
  288    HD1  TYR  39           HD2      TYR  39  -4.222   3.132   4.268
  289    HD2  TYR  39           HD1      TYR  39  -7.299   5.356   6.225
  290    HE1  TYR  39           HE2      TYR  39  -3.063   2.859   6.402
  291    HE2  TYR  39           HE1      TYR  39  -6.128   5.091   8.366
  292    HH   TYR  39           HH       TYR  39  -2.923   3.901   8.551
  293    H    VAL  40           H        VAL  40  -4.257   7.340   2.597
  294    HA   VAL  40           HA       VAL  40  -2.956   6.238   0.315
  295    HB   VAL  40           HB       VAL  40  -1.837   8.287   2.283
  296   HG11  VAL  40          1HG1      VAL  40  -1.125   7.760  -0.622
  297   HG12  VAL  40          2HG1      VAL  40  -0.116   7.417   0.785
  298   HG13  VAL  40          3HG1      VAL  40  -0.498   9.085   0.360
  299   HG21  VAL  40          3HG2      VAL  40  -4.050   9.013   1.482
  300   HG22  VAL  40          1HG2      VAL  40  -3.534   8.792  -0.192
  301   HG23  VAL  40          2HG2      VAL  40  -2.779  10.032   0.809
  302    H    GLY  41           H        GLY  41  -2.454   5.889   3.754
  303    HA2  GLY  41           2HA      GLY  41   0.189   4.932   3.904
  304    HA3  GLY  41           3HA      GLY  41  -1.088   4.622   5.071
  305    H    THR  42           H        THR  42  -2.820   3.312   3.097
  306    HA   THR  42           HA       THR  42  -2.111   0.628   3.215
  307    HB   THR  42           HB       THR  42  -3.845   2.042   1.142
  308    HG1  THR  42           HG1      THR  42  -5.319   2.092   2.628
  309   HG21  THR  42          3HG2      THR  42  -3.751  -0.893   1.941
  310   HG22  THR  42          1HG2      THR  42  -3.255  -0.221   0.385
  311   HG23  THR  42          2HG2      THR  42  -4.948  -0.165   0.870
  312    H    TYR  43           H        TYR  43  -1.798   2.920   0.505
  313    HA   TYR  43           HA       TYR  43  -1.194   1.012  -1.445
  314    HB2  TYR  43           2HB      TYR  43  -0.745   4.020  -1.411
  315    HB3  TYR  43           3HB      TYR  43  -0.534   3.025  -2.850
  316    HD1  TYR  43           HD2      TYR  43  -2.492   2.026  -3.984
  317    HD2  TYR  43           HD1      TYR  43  -3.028   4.498  -0.542
  318    HE1  TYR  43           HE2      TYR  43  -4.874   2.232  -4.503
  319    HE2  TYR  43           HE1      TYR  43  -5.419   4.695  -1.071
  320    HH   TYR  43           HH       TYR  43  -6.897   4.498  -2.931
  321    H    TYR  44           H        TYR  44   1.000   3.210   0.309
  322    HA   TYR  44           HA       TYR  44   3.419   2.488  -0.746
  323    HB2  TYR  44           2HB      TYR  44   2.866   4.326   0.940
  324    HB3  TYR  44           3HB      TYR  44   2.909   3.098   2.198
  325    HD1  TYR  44           HD1      TYR  44   5.027   4.510  -0.570
  326    HD2  TYR  44           HD2      TYR  44   4.977   2.722   3.310
  327    HE1  TYR  44           HE1      TYR  44   7.437   4.890  -0.362
  328    HE2  TYR  44           HE2      TYR  44   7.392   3.111   3.517
  329    HH   TYR  44           HH       TYR  44   9.071   5.203   1.549
  330    H    HIS  45           H        HIS  45   1.978   1.115   2.207
  331    HA   HIS  45           HA       HIS  45   3.966  -0.879   2.627
  332    HB2  HIS  45           2HB      HIS  45   1.171  -0.612   3.809
  333    HB3  HIS  45           3HB      HIS  45   2.372  -1.771   4.372
  334    HD1  HIS  45           HD1      HIS  45   3.650  -0.954   6.344
  335    HD2  HIS  45           HD2      HIS  45   2.355   2.184   3.972
  336    HE1  HIS  45           HE1      HIS  45   4.414   1.128   7.501
  337    HE2  HIS  45           HE2      HIS  45   3.438   3.005   6.150
  338    H    LEU  46           H        LEU  46   0.962  -0.932   0.860
  339    HA   LEU  46           HA       LEU  46   0.725  -3.776   0.552
  340    HB2  LEU  46           2HB      LEU  46  -1.278  -2.416   0.388
  341    HB3  LEU  46           3HB      LEU  46  -0.576  -1.440  -0.890
  342    HG   LEU  46           HG       LEU  46  -0.741  -3.290  -2.481
  343   HD11  LEU  46          1HD1      LEU  46  -1.845  -4.997  -0.233
  344   HD12  LEU  46          2HD1      LEU  46  -0.287  -5.199  -1.034
  345   HD13  LEU  46          3HD1      LEU  46  -1.777  -5.443  -1.938
  346   HD21  LEU  46          3HD2      LEU  46  -3.180  -3.526  -2.637
  347   HD22  LEU  46          1HD2      LEU  46  -2.713  -1.871  -2.249
  348   HD23  LEU  46          2HD2      LEU  46  -3.354  -2.926  -0.986
  349    H    GLY  47           H        GLY  47   2.104  -1.106  -1.312
  350    HA2  GLY  47           2HA      GLY  47   2.809  -2.533  -3.660
  351    HA3  GLY  47           3HA      GLY  47   3.494  -1.013  -3.111
  352    H    LYS  48           H        LYS  48   4.526  -1.815  -0.635
  353    HA   LYS  48           HA       LYS  48   7.027  -2.958  -1.287
  354    HB2  LYS  48           2HB      LYS  48   5.703  -2.645   1.445
  355    HB3  LYS  48           3HB      LYS  48   7.399  -3.060   1.195
  356    HG2  LYS  48           2HG      LYS  48   6.024  -0.468   0.444
  357    HG3  LYS  48           3HG      LYS  48   7.230  -0.705   1.715
  358    HD2  LYS  48           2HD      LYS  48   8.924  -1.268  -0.007
  359    HD3  LYS  48           3HD      LYS  48   7.716  -1.052  -1.276
  360    HE2  LYS  48           2HE      LYS  48   9.093   0.926  -1.173
  361    HE3  LYS  48           3HE      LYS  48   7.484   1.338  -0.569
  362    HZ1  LYS  48           3HZ      LYS  48   9.204   2.268   0.820
  363    HZ2  LYS  48           1HZ      LYS  48   9.870   0.739   1.088
  364    HZ3  LYS  48           2HZ      LYS  48   8.333   1.107   1.686
  365    H    LEU  49           H        LEU  49   4.109  -4.324   0.160
  366    HA   LEU  49           HA       LEU  49   5.091  -6.941   0.639
  367    HB2  LEU  49           2HB      LEU  49   3.108  -6.102   1.776
  368    HB3  LEU  49           3HB      LEU  49   2.265  -5.894   0.250
  369    HG   LEU  49           HG       LEU  49   2.073  -8.304  -0.057
  370   HD11  LEU  49          1HD1      LEU  49   4.209  -9.070   0.825
  371   HD12  LEU  49          2HD1      LEU  49   2.890  -9.937   1.601
  372   HD13  LEU  49          3HD1      LEU  49   3.721  -8.648   2.468
  373   HD21  LEU  49          3HD2      LEU  49   0.347  -7.225   1.324
  374   HD22  LEU  49          1HD2      LEU  49   1.289  -7.551   2.783
  375   HD23  LEU  49          2HD2      LEU  49   0.624  -8.885   1.839
  376    H    TYR  50           H        TYR  50   3.337  -5.488  -2.111
  377    HA   TYR  50           HA       TYR  50   3.142  -7.685  -3.790
  378    HB2  TYR  50           2HB      TYR  50   3.328  -4.720  -4.326
  379    HB3  TYR  50           3HB      TYR  50   3.418  -5.828  -5.689
  380    HD1  TYR  50           HD2      TYR  50   1.453  -7.924  -4.818
  381    HD2  TYR  50           HD1      TYR  50   1.209  -3.659  -4.661
  382    HE1  TYR  50           HE2      TYR  50  -0.991  -8.061  -4.939
  383    HE2  TYR  50           HE1      TYR  50  -1.240  -3.804  -4.787
  384    HH   TYR  50           HH       TYR  50  -2.923  -6.767  -4.388
  385    H    GLU  51           H        GLU  51   5.869  -5.381  -3.529
  386    HA   GLU  51           HA       GLU  51   7.518  -6.495  -5.505
  387    HB2  GLU  51           2HB      GLU  51   8.319  -5.052  -2.950
  388    HB3  GLU  51           3HB      GLU  51   9.410  -5.387  -4.293
  389    HG2  GLU  51           2HG      GLU  51   7.953  -4.004  -5.777
  390    HG3  GLU  51           3HG      GLU  51   6.949  -3.616  -4.381
  391    H    ARG  52           H        ARG  52   7.125  -7.366  -2.101
  392    HA   ARG  52           HA       ARG  52   9.198  -9.324  -1.947
  393    HB2  ARG  52           2HB      ARG  52   6.712  -8.915  -0.233
  394    HB3  ARG  52           3HB      ARG  52   7.986 -10.072   0.145
  395    HG2  ARG  52           2HG      ARG  52   9.614  -8.214   0.329
  396    HG3  ARG  52           3HG      ARG  52   8.328  -7.060  -0.031
  397    HD2  ARG  52           2HD      ARG  52   7.154  -7.666   2.019
  398    HD3  ARG  52           3HD      ARG  52   8.338  -8.936   2.365
  399    HE   ARG  52           HE       ARG  52   8.797  -6.023   2.473
  400   HH11  ARG  52          1HH1      ARG  52   9.945  -9.255   3.258
  401   HH12  ARG  52          2HH1      ARG  52  11.186  -8.675   4.322
  402   HH21  ARG  52          1HH2      ARG  52  10.452  -5.300   3.858
  403   HH22  ARG  52          2HH2      ARG  52  11.478  -6.456   4.644
  404    H    LEU  53           H        LEU  53   5.776  -9.467  -2.828
  405    HA   LEU  53           HA       LEU  53   5.735 -12.351  -3.174
  406    HB2  LEU  53           2HB      LEU  53   3.696 -10.219  -3.894
  407    HB3  LEU  53           3HB      LEU  53   3.402 -11.952  -3.928
  408    HG   LEU  53           HG       LEU  53   4.009 -10.320  -1.425
  409   HD11  LEU  53          1HD1      LEU  53   1.812  -9.778  -2.316
  410   HD12  LEU  53          2HD1      LEU  53   1.666 -10.691  -0.817
  411   HD13  LEU  53          3HD1      LEU  53   1.381 -11.489  -2.365
  412   HD21  LEU  53          3HD2      LEU  53   4.840 -12.626  -1.206
  413   HD22  LEU  53          1HD2      LEU  53   3.256 -13.260  -1.673
  414   HD23  LEU  53          2HD2      LEU  53   3.446 -12.358  -0.166
  415    H    ASP  54           H        ASP  54   7.419 -10.327  -4.958
  416    HA   ASP  54           HA       ASP  54   8.249 -10.234  -7.054
  417    HB2  ASP  54           2HB      ASP  54   8.308 -12.749  -6.789
  418    HB3  ASP  54           3HB      ASP  54   6.741 -12.836  -7.582
  419    H    ARG  55           H        ARG  55   5.461  -9.295  -6.377
  420    HA   ARG  55           HA       ARG  55   4.280  -8.830  -9.036
  421    HB2  ARG  55           2HB      ARG  55   3.152  -8.165  -6.268
  422    HB3  ARG  55           3HB      ARG  55   2.285  -8.082  -7.795
  423    HG2  ARG  55           2HG      ARG  55   3.253 -10.602  -6.409
  424    HG3  ARG  55           3HG      ARG  55   1.587 -10.024  -6.501
  425    HD2  ARG  55           2HD      ARG  55   3.306 -10.971  -8.814
  426    HD3  ARG  55           3HD      ARG  55   1.939 -11.829  -8.101
  427    HE   ARG  55           HE       ARG  55   1.296  -9.209  -9.132
  428   HH11  ARG  55          1HH1      ARG  55   1.386 -12.637  -9.890
  429   HH12  ARG  55          2HH1      ARG  55   0.467 -12.450 -11.351
  430   HH21  ARG  55          1HH2      ARG  55   0.126  -8.984 -11.043
  431   HH22  ARG  55          2HH2      ARG  55  -0.280 -10.383 -11.986
  432    H    THR  56           H        THR  56   6.725  -7.546  -8.584
  433    HA   THR  56           HA       THR  56   6.674  -5.042  -7.299
  434    HB   THR  56           HB       THR  56   8.484  -5.905  -9.600
  435    HG1  THR  56           HG1      THR  56   9.792  -6.352  -7.469
  436   HG21  THR  56          3HG2      THR  56   8.718  -3.503  -9.041
  437   HG22  THR  56          1HG2      THR  56  10.156  -4.403  -8.553
  438   HG23  THR  56          2HG2      THR  56   8.968  -3.915  -7.343
  439    H    ASP  57           H        ASP  57   5.827  -5.978 -10.595
  440    HA   ASP  57           HA       ASP  57   5.508  -3.376 -11.713
  441    HB2  ASP  57           2HB      ASP  57   5.695  -5.340 -13.164
  442    HB3  ASP  57           3HB      ASP  57   4.240  -6.047 -12.461
  443    H    ASP  58           H        ASP  58   3.300  -5.596 -10.075
  444    HA   ASP  58           HA       ASP  58   0.908  -4.067 -10.255
  445    HB2  ASP  58           2HB      ASP  58   1.700  -6.086  -8.106
  446    HB3  ASP  58           3HB      ASP  58   0.060  -5.528  -8.441
  447    H    ALA  59           H        ALA  59   3.597  -4.098  -7.996
  448    HA   ALA  59           HA       ALA  59   2.662  -2.389  -5.995
  449    HB1  ALA  59           3HB      ALA  59   4.760  -3.675  -5.795
  450    HB2  ALA  59           1HB      ALA  59   5.026  -1.958  -5.479
  451    HB3  ALA  59           2HB      ALA  59   5.508  -2.658  -7.028
  452    H    ILE  60           H        ILE  60   4.239  -1.693  -9.111
  453    HA   ILE  60           HA       ILE  60   4.552   1.099  -8.896
  454    HB   ILE  60           HB       ILE  60   3.903  -0.364 -11.499
  455   HG12  ILE  60          2HG1      ILE  60   5.754  -1.572 -10.482
  456   HG13  ILE  60          3HG1      ILE  60   6.410  -0.594 -11.790
  457   HG21  ILE  60          1HG2      ILE  60   5.436   2.225 -11.024
  458   HG22  ILE  60          2HG2      ILE  60   3.826   2.070 -11.721
  459   HG23  ILE  60          3HG2      ILE  60   5.219   1.436 -12.593
  460   HD11  ILE  60          3HD1      ILE  60   7.156   1.070 -10.120
  461   HD12  ILE  60          1HD1      ILE  60   7.859  -0.529  -9.896
  462   HD13  ILE  60          2HD1      ILE  60   6.558   0.007  -8.839
  463    H    ASP  61           H        ASP  61   1.840  -0.839 -10.057
  464    HA   ASP  61           HA       ASP  61   0.124   1.267 -10.868
  465    HB2  ASP  61           2HB      ASP  61  -0.175  -1.086 -11.611
  466    HB3  ASP  61           3HB      ASP  61  -0.589  -1.557  -9.966
  467    H    THR  62           H        THR  62   0.488  -0.498  -7.807
  468    HA   THR  62           HA       THR  62  -1.674   0.627  -6.374
  469    HB   THR  62           HB       THR  62   0.955  -0.400  -5.196
  470    HG1  THR  62           HG1      THR  62   0.402  -2.208  -6.112
  471   HG21  THR  62          3HG2      THR  62  -0.561   0.647  -3.535
  472   HG22  THR  62          1HG2      THR  62  -0.440  -1.095  -3.281
  473   HG23  THR  62          2HG2      THR  62  -1.872  -0.414  -4.062
  474    H    TYR  63           H        TYR  63   1.703   1.586  -6.722
  475    HA   TYR  63           HA       TYR  63   1.690   3.771  -4.897
  476    HB2  TYR  63           2HB      TYR  63   3.550   3.227  -7.244
  477    HB3  TYR  63           3HB      TYR  63   3.814   4.487  -6.038
  478    HD1  TYR  63           HD1      TYR  63   3.128   3.010  -3.514
  479    HD2  TYR  63           HD2      TYR  63   5.386   1.747  -6.916
  480    HE1  TYR  63           HE1      TYR  63   4.374   1.435  -2.111
  481    HE2  TYR  63           HE2      TYR  63   6.625   0.171  -5.503
  482    HH   TYR  63           HH       TYR  63   7.140  -0.299  -3.290
  483    H    ALA  64           H        ALA  64   1.251   3.552  -8.434
  484    HA   ALA  64           HA       ALA  64   1.029   6.295  -9.035
  485    HB1  ALA  64           3HB      ALA  64   0.083   5.562 -11.175
  486    HB2  ALA  64           1HB      ALA  64  -0.191   3.946 -10.515
  487    HB3  ALA  64           2HB      ALA  64   1.458   4.543 -10.732
  488    H    GLN  65           H        GLN  65  -1.497   3.866  -8.442
  489    HA   GLN  65           HA       GLN  65  -3.778   5.508  -8.637
  490    HB2  GLN  65           2HB      GLN  65  -3.382   2.815  -8.328
  491    HB3  GLN  65           3HB      GLN  65  -3.808   3.207  -6.672
  492    HG2  GLN  65           2HG      GLN  65  -5.638   4.205  -8.825
  493    HG3  GLN  65           3HG      GLN  65  -5.602   2.475  -8.553
  494   HE21  GLN  65          1HE2      GLN  65  -5.345   4.922  -5.971
  495   HE22  GLN  65          2HE2      GLN  65  -6.830   4.516  -5.223
  496    H    GLY  66           H        GLY  66  -1.691   4.600  -5.957
  497    HA2  GLY  66           2HA      GLY  66  -2.842   6.025  -3.860
  498    HA3  GLY  66           3HA      GLY  66  -1.154   5.564  -3.988
  499    H    ILE  67           H        ILE  67  -0.583   7.138  -6.373
  500    HA   ILE  67           HA       ILE  67   0.296   9.525  -5.136
  501    HB   ILE  67           HB       ILE  67   0.252   8.507  -7.995
  502   HG12  ILE  67          2HG1      ILE  67   2.592   9.303  -6.200
  503   HG13  ILE  67          3HG1      ILE  67   1.927   7.679  -6.296
  504   HG21  ILE  67          1HG2      ILE  67   1.535  10.474  -8.809
  505   HG22  ILE  67          2HG2      ILE  67   1.233  11.291  -7.275
  506   HG23  ILE  67          3HG2      ILE  67  -0.115  10.895  -8.340
  507   HD11  ILE  67          3HD1      ILE  67   3.933   7.891  -7.596
  508   HD12  ILE  67          1HD1      ILE  67   3.222   9.191  -8.550
  509   HD13  ILE  67          2HD1      ILE  67   2.558   7.556  -8.646
  510    H    GLU  68           H        GLU  68  -2.474   8.804  -7.149
  511    HA   GLU  68           HA       GLU  68  -3.522  11.348  -7.691
  512    HB2  GLU  68           2HB      GLU  68  -4.997   8.712  -7.184
  513    HB3  GLU  68           3HB      GLU  68  -5.667  10.111  -8.022
  514    HG2  GLU  68           2HG      GLU  68  -3.253   8.551  -8.984
  515    HG3  GLU  68           3HG      GLU  68  -4.898   8.233  -9.509
  516    H    VAL  69           H        VAL  69  -4.134   9.087  -5.044
  517    HA   VAL  69           HA       VAL  69  -5.877  10.930  -3.610
  518    HB   VAL  69           HB       VAL  69  -6.273   9.162  -2.010
  519   HG11  VAL  69          1HG1      VAL  69  -6.251   8.019  -4.834
  520   HG12  VAL  69          2HG1      VAL  69  -7.523   9.013  -4.121
  521   HG13  VAL  69          3HG1      VAL  69  -7.209   7.400  -3.483
  522   HG21  VAL  69          3HG2      VAL  69  -4.123   7.504  -3.381
  523   HG22  VAL  69          1HG2      VAL  69  -5.169   6.962  -2.064
  524   HG23  VAL  69          2HG2      VAL  69  -3.987   8.243  -1.786
  525    H    ALA  70           H        ALA  70  -2.478  10.274  -3.645
  526    HA   ALA  70           HA       ALA  70  -1.881  10.753  -0.881
  527    HB1  ALA  70           3HB      ALA  70  -0.025  10.828  -3.283
  528    HB2  ALA  70           1HB      ALA  70  -0.393   9.400  -2.312
  529    HB3  ALA  70           2HB      ALA  70   0.465  10.759  -1.587
  530    H    ARG  71           H        ARG  71  -1.629  12.653  -3.859
  531    HA   ARG  71           HA       ARG  71  -0.626  15.010  -2.643
  532    HB2  ARG  71           2HB      ARG  71  -1.061  16.065  -4.813
  533    HB3  ARG  71           3HB      ARG  71  -0.306  14.490  -5.013
  534    HG2  ARG  71           2HG      ARG  71  -2.725  13.611  -5.394
  535    HG3  ARG  71           3HG      ARG  71  -3.146  15.312  -5.614
  536    HD2  ARG  71           2HD      ARG  71  -1.302  13.594  -7.286
  537    HD3  ARG  71           3HD      ARG  71  -2.744  14.478  -7.791
  538    HE   ARG  71           HE       ARG  71  -1.392  16.557  -7.270
  539   HH11  ARG  71          1HH1      ARG  71   0.128  13.593  -8.379
  540   HH12  ARG  71          2HH1      ARG  71   1.507  14.406  -9.038
  541   HH21  ARG  71          1HH2      ARG  71   0.464  17.598  -8.117
  542   HH22  ARG  71          2HH2      ARG  71   1.707  16.649  -8.868
  543    H    GLU  72           H        GLU  72  -3.943  13.895  -3.290
  544    HA   GLU  72           HA       GLU  72  -5.121  16.495  -2.643
  545    HB2  GLU  72           2HB      GLU  72  -6.441  13.859  -3.416
  546    HB3  GLU  72           3HB      GLU  72  -7.277  15.402  -3.240
  547    HG2  GLU  72           2HG      GLU  72  -5.923  16.333  -5.093
  548    HG3  GLU  72           3HG      GLU  72  -5.119  14.776  -5.282
  549    H    GLU  73           H        GLU  73  -5.399  13.144  -1.408
  550    HA   GLU  73           HA       GLU  73  -6.940  13.996   0.905
  551    HB2  GLU  73           2HB      GLU  73  -6.032  11.195   0.126
  552    HB3  GLU  73           3HB      GLU  73  -7.216  11.589   1.370
  553    HG2  GLU  73           2HG      GLU  73  -7.486  11.925  -1.626
  554    HG3  GLU  73           3HG      GLU  73  -8.426  10.870  -0.570
  555    H    GLY  74           H        GLY  74  -3.689  12.762   0.242
  556    HA2  GLY  74           2HA      GLY  74  -2.968  12.888   3.104
  557    HA3  GLY  74           3HA      GLY  74  -2.033  12.145   1.812
  558    H    THR  75           H        THR  75  -0.313  13.443   2.885
  559    HA   THR  75           HA       THR  75  -0.223  16.289   2.132
  560    HB   THR  75           HB       THR  75   1.869  16.313   3.510
  561    HG1  THR  75           HG1      THR  75   1.210  13.641   4.251
  562   HG21  THR  75          3HG2      THR  75  -0.267  16.829   4.625
  563   HG22  THR  75          1HG2      THR  75   0.835  15.987   5.718
  564   HG23  THR  75          2HG2      THR  75  -0.506  15.115   4.974
  565    H    GLN  76           H        GLN  76   2.021  17.039   1.294
  566    HA   GLN  76           HA       GLN  76   2.810  15.719  -1.095
  567    HB2  GLN  76           2HB      GLN  76   3.079  18.157  -0.731
  568    HB3  GLN  76           3HB      GLN  76   4.281  17.852   0.514
  569    HG2  GLN  76           2HG      GLN  76   5.802  16.891  -1.167
  570    HG3  GLN  76           3HG      GLN  76   4.584  17.123  -2.420
  571   HE21  GLN  76          1HE2      GLN  76   6.063  18.394  -3.618
  572   HE22  GLN  76          2HE2      GLN  76   6.432  20.021  -3.171
  573    H    LYS  77           H        LYS  77   3.799  15.375   2.221
  574    HA   LYS  77           HA       LYS  77   6.217  13.952   1.925
  575    HB2  LYS  77           2HB      LYS  77   5.534  14.814   4.083
  576    HB3  LYS  77           3HB      LYS  77   4.057  13.867   4.076
  577    HG2  LYS  77           2HG      LYS  77   6.693  12.408   4.027
  578    HG3  LYS  77           3HG      LYS  77   6.188  13.164   5.534
  579    HD2  LYS  77           2HD      LYS  77   4.137  11.826   5.568
  580    HD3  LYS  77           3HD      LYS  77   4.518  11.139   3.989
  581    HE2  LYS  77           2HE      LYS  77   6.523  10.058   4.954
  582    HE3  LYS  77           3HE      LYS  77   6.121  10.734   6.535
  583    HZ1  LYS  77           3HZ      LYS  77   4.353   8.921   5.005
  584    HZ2  LYS  77           1HZ      LYS  77   4.133   9.452   6.594
  585    HZ3  LYS  77           2HZ      LYS  77   5.407   8.406   6.214
  586    H    ASP  78           H        ASP  78   2.821  12.810   2.128
  587    HA   ASP  78           HA       ASP  78   3.332  10.023   1.832
  588    HB2  ASP  78           2HB      ASP  78   0.806  11.617   1.218
  589    HB3  ASP  78           3HB      ASP  78   0.886   9.860   1.213
  590    H    LEU  79           H        LEU  79   2.521  12.572  -0.436
  591    HA   LEU  79           HA       LEU  79   2.331  11.143  -2.820
  592    HB2  LEU  79           2HB      LEU  79   1.641  13.506  -2.539
  593    HB3  LEU  79           3HB      LEU  79   3.321  13.984  -2.336
  594    HG   LEU  79           HG       LEU  79   3.772  13.255  -4.699
  595   HD11  LEU  79          1HD1      LEU  79   2.011  11.602  -4.976
  596   HD12  LEU  79          2HD1      LEU  79   1.882  12.842  -6.219
  597   HD13  LEU  79          3HD1      LEU  79   0.773  12.855  -4.847
  598   HD21  LEU  79          3HD2      LEU  79   2.673  15.167  -5.794
  599   HD22  LEU  79          1HD2      LEU  79   3.343  15.621  -4.228
  600   HD23  LEU  79          2HD2      LEU  79   1.605  15.365  -4.404
  601    H    SER  80           H        SER  80   5.145  12.682  -1.282
  602    HA   SER  80           HA       SER  80   7.050  12.153  -3.279
  603    HB2  SER  80           2HB      SER  80   7.345  13.895  -1.524
  604    HB3  SER  80           3HB      SER  80   7.510  12.634  -0.305
  605    HG   SER  80           HG       SER  80   9.204  12.592  -2.549
  606    H    GLU  81           H        GLU  81   5.986  10.301  -0.470
  607    HA   GLU  81           HA       GLU  81   7.965   8.290  -0.430
  608    HB2  GLU  81           2HB      GLU  81   5.042   8.239   0.443
  609    HB3  GLU  81           3HB      GLU  81   6.159   6.919   0.748
  610    HG2  GLU  81           2HG      GLU  81   6.386   9.733   1.833
  611    HG3  GLU  81           3HG      GLU  81   5.863   8.311   2.729
  612    H    LEU  82           H        LEU  82   4.803   8.433  -2.076
  613    HA   LEU  82           HA       LEU  82   4.969   5.774  -3.155
  614    HB2  LEU  82           2HB      LEU  82   3.117   8.084  -3.802
  615    HB3  LEU  82           3HB      LEU  82   2.921   6.454  -4.442
  616    HG   LEU  82           HG       LEU  82   2.840   7.178  -1.486
  617   HD11  LEU  82          1HD1      LEU  82   0.565   6.530  -3.359
  618   HD12  LEU  82          2HD1      LEU  82   0.915   8.093  -2.624
  619   HD13  LEU  82          3HD1      LEU  82   0.438   6.737  -1.612
  620   HD21  LEU  82          3HD2      LEU  82   2.021   4.897  -1.131
  621   HD22  LEU  82          1HD2      LEU  82   3.632   4.886  -1.843
  622   HD23  LEU  82          2HD2      LEU  82   2.222   4.536  -2.848
  623    H    GLN  83           H        GLN  83   5.661   8.979  -4.427
  624    HA   GLN  83           HA       GLN  83   6.046   8.239  -7.156
  625    HB2  GLN  83           2HB      GLN  83   7.037  10.646  -5.568
  626    HB3  GLN  83           3HB      GLN  83   7.254  10.464  -7.307
  627    HG2  GLN  83           2HG      GLN  83   4.802  10.426  -7.610
  628    HG3  GLN  83           3HG      GLN  83   4.584  10.614  -5.873
  629   HE21  GLN  83          1HE2      GLN  83   6.736  12.575  -5.573
  630   HE22  GLN  83          2HE2      GLN  83   6.149  14.043  -6.259
  631    H    ASP  84           H        ASP  84   8.196   8.593  -4.360
  632    HA   ASP  84           HA       ASP  84  10.625   8.035  -5.756
  633    HB2  ASP  84           2HB      ASP  84  10.490   9.254  -3.557
  634    HB3  ASP  84           3HB      ASP  84  10.035   7.745  -2.783
  635    H    ALA  85           H        ALA  85   8.285   6.085  -3.957
  636    HA   ALA  85           HA       ALA  85   9.765   3.679  -3.793
  637    HB1  ALA  85           3HB      ALA  85   7.630   2.635  -3.145
  638    HB2  ALA  85           1HB      ALA  85   6.749   4.069  -3.689
  639    HB3  ALA  85           2HB      ALA  85   7.846   4.175  -2.312
  640    H    LYS  86           H        LYS  86   7.313   4.823  -6.152
  641    HA   LYS  86           HA       LYS  86   7.314   2.435  -7.671
  642    HB2  LYS  86           2HB      LYS  86   6.123   3.620  -9.428
  643    HB3  LYS  86           3HB      LYS  86   5.436   3.991  -7.856
  644    HG2  LYS  86           2HG      LYS  86   6.418   6.188  -7.855
  645    HG3  LYS  86           3HG      LYS  86   7.355   5.831  -9.306
  646    HD2  LYS  86           2HD      LYS  86   4.319   6.004  -9.163
  647    HD3  LYS  86           3HD      LYS  86   5.392   7.251  -9.795
  648    HE2  LYS  86           2HE      LYS  86   6.171   5.634 -11.544
  649    HE3  LYS  86           3HE      LYS  86   4.982   4.472 -10.951
  650    HZ1  LYS  86           3HZ      LYS  86   4.407   7.148 -12.106
  651    HZ2  LYS  86           1HZ      LYS  86   3.245   6.097 -11.470
  652    HZ3  LYS  86           2HZ      LYS  86   4.128   5.651 -12.840
  653    H    LEU  87           H        LEU  87   9.234   5.486  -8.060
  654    HA   LEU  87           HA       LEU  87  10.236   4.769 -10.615
  655    HB2  LEU  87           2HB      LEU  87  11.867   6.595 -10.391
  656    HB3  LEU  87           3HB      LEU  87  10.245   7.080  -9.966
  657    HG   LEU  87           HG       LEU  87  11.042   6.776  -7.478
  658   HD11  LEU  87          1HD1      LEU  87  13.748   7.103  -8.804
  659   HD12  LEU  87          2HD1      LEU  87  13.193   5.701  -7.885
  660   HD13  LEU  87          3HD1      LEU  87  13.415   7.248  -7.075
  661   HD21  LEU  87          3HD2      LEU  87  12.002   9.108  -9.171
  662   HD22  LEU  87          1HD2      LEU  87  11.855   9.114  -7.411
  663   HD23  LEU  87          2HD2      LEU  87  10.420   8.936  -8.412
  664    H    LYS  88           H        LYS  88  11.506   4.120  -7.357
  665    HA   LYS  88           HA       LYS  88  13.945   2.962  -8.319
  666    HB2  LYS  88           2HB      LYS  88  14.342   2.223  -6.007
  667    HB3  LYS  88           3HB      LYS  88  13.855   3.902  -6.080
  668    HG2  LYS  88           2HG      LYS  88  12.676   3.208  -4.228
  669    HG3  LYS  88           3HG      LYS  88  11.464   2.978  -5.488
  670    HD2  LYS  88           2HD      LYS  88  12.031   0.557  -5.565
  671    HD3  LYS  88           3HD      LYS  88  13.232   0.808  -4.293
  672    HE2  LYS  88           2HE      LYS  88  11.441   1.505  -2.737
  673    HE3  LYS  88           3HE      LYS  88  10.241   1.291  -4.016
  674    HZ1  LYS  88           3HZ      LYS  88  11.911  -0.816  -2.771
  675    HZ2  LYS  88           1HZ      LYS  88  10.911  -1.070  -4.111
  676    HZ3  LYS  88           2HZ      LYS  88  10.238  -0.627  -2.627
  677    H    ALA  89           H        ALA  89  10.740   1.631  -7.504
  678    HA   ALA  89           HA       ALA  89  11.452  -1.126  -7.773
  679    HB1  ALA  89           3HB      ALA  89   9.535  -0.403  -6.429
  680    HB2  ALA  89           1HB      ALA  89   9.014  -1.509  -7.703
  681    HB3  ALA  89           2HB      ALA  89   8.735   0.228  -7.872
  682    H    GLU  90           H        GLU  90  10.295   1.324 -10.028
  683    HA   GLU  90           HA       GLU  90   9.967  -0.334 -12.330
  684    HB2  GLU  90           2HB      GLU  90  10.510   2.654 -12.069
  685    HB3  GLU  90           3HB      GLU  90  10.227   1.855 -13.614
  686    HG2  GLU  90           2HG      GLU  90   7.980   1.241 -12.932
  687    HG3  GLU  90           3HG      GLU  90   8.251   1.898 -11.324
  688    H    GLY  91           H        GLY  91  12.677   1.277 -10.788
  689    HA2  GLY  91           2HA      GLY  91  14.636   0.851 -12.835
  690    HA3  GLY  91           3HA      GLY  91  14.937   1.235 -11.148
  691    H    LEU  92           H        LEU  92  13.324  -1.136 -10.278
  692    HA   LEU  92           HA       LEU  92  15.379  -3.165 -10.310
  693    HB2  LEU  92           2HB      LEU  92  12.503  -3.313  -9.309
  694    HB3  LEU  92           3HB      LEU  92  13.756  -4.502  -8.976
  695    HG   LEU  92           HG       LEU  92  13.763  -1.614  -8.018
  696   HD11  LEU  92          1HD1      LEU  92  12.065  -2.932  -6.873
  697   HD12  LEU  92          2HD1      LEU  92  13.386  -2.513  -5.781
  698   HD13  LEU  92          3HD1      LEU  92  13.274  -4.149  -6.442
  699   HD21  LEU  92          3HD2      LEU  92  15.752  -3.831  -7.412
  700   HD22  LEU  92          1HD2      LEU  92  15.728  -2.231  -6.668
  701   HD23  LEU  92          2HD2      LEU  92  16.057  -2.393  -8.387
  702    H    GLU  93           H        GLU  93  12.073  -2.901 -11.606
  703    HA   GLU  93           HA       GLU  93  12.524  -5.149 -13.467
  704    HB2  GLU  93           2HB      GLU  93   9.967  -3.649 -12.735
  705    HB3  GLU  93           3HB      GLU  93  10.067  -5.014 -13.841
  706    HG2  GLU  93           2HG      GLU  93  10.653  -5.069 -10.864
  707    HG3  GLU  93           3HG      GLU  93   9.242  -5.752 -11.674
  708    H    HIS  94           H        HIS  94  14.090  -3.067 -14.097
  709    HA   HIS  94           HA       HIS  94  12.845  -1.013 -15.649
  710    HB2  HIS  94           2HB      HIS  94  15.063  -0.853 -14.337
  711    HB3  HIS  94           3HB      HIS  94  15.813  -1.669 -15.701
  712    HD1  HIS  94           HD1      HIS  94  16.439  -0.236 -17.656
  713    HD2  HIS  94           HD2      HIS  94  13.901   1.720 -15.028
  714    HE1  HIS  94           HE1      HIS  94  16.309   2.118 -18.488
  715    HE2  HIS  94           HE2      HIS  94  14.632   3.229 -16.980
  716    H    HIS  95           H        HIS  95  12.687  -0.766 -17.803
  717    HA   HIS  95           HA       HIS  95  13.885  -2.472 -19.766
  718    HB2  HIS  95           2HB      HIS  95  12.136  -4.029 -18.990
  719    HB3  HIS  95           3HB      HIS  95  10.904  -2.790 -19.180
  720    HD1  HIS  95           HD1      HIS  95   9.510  -3.281 -21.165
  721    HD2  HIS  95           HD2      HIS  95  13.457  -4.434 -21.756
  722    HE1  HIS  95           HE1      HIS  95   9.602  -4.221 -23.487
  723    HE2  HIS  95           HE2      HIS  95  11.929  -5.137 -23.706
  724    H    HIS  96           H        HIS  96  13.677  -1.552 -21.850
  725    HA   HIS  96           HA       HIS  96  12.956   1.255 -21.861
  726    HB2  HIS  96           2HB      HIS  96  14.016   1.357 -24.065
  727    HB3  HIS  96           3HB      HIS  96  15.046   0.516 -22.920
  728    HD1  HIS  96           HD1      HIS  96  13.005  -0.030 -26.020
  729    HD2  HIS  96           HD2      HIS  96  15.611  -2.159 -23.593
  730    HE1  HIS  96           HE1      HIS  96  13.622  -2.076 -27.324
  731    HE2  HIS  96           HE2      HIS  96  15.096  -3.405 -25.788
  732    H    HIS  97           H        HIS  97  10.751  -0.745 -21.744
  733    HA   HIS  97           HA       HIS  97   8.914   0.851 -23.299
  734    HB2  HIS  97           2HB      HIS  97   9.557  -1.099 -24.835
  735    HB3  HIS  97           3HB      HIS  97   8.879  -2.191 -23.640
  736    HD1  HIS  97           HD1      HIS  97   6.485  -2.768 -23.983
  737    HD2  HIS  97           HD2      HIS  97   7.489   0.761 -25.908
  738    HE1  HIS  97           HE1      HIS  97   4.451  -2.123 -25.286
  739    HE2  HIS  97           HE2      HIS  97   5.108  -0.027 -26.513
  740    H    HIS  98           H        HIS  98   9.699   0.457 -20.525
  741    HA   HIS  98           HA       HIS  98   7.137  -0.111 -19.236
  742    HB2  HIS  98           2HB      HIS  98   8.184  -2.363 -19.301
  743    HB3  HIS  98           3HB      HIS  98   9.656  -1.727 -18.589
  744    HD1  HIS  98           HD1      HIS  98   9.796  -1.766 -16.091
  745    HD2  HIS  98           HD2      HIS  98   5.922  -2.382 -17.441
  746    HE1  HIS  98           HE1      HIS  98   8.451  -2.280 -14.043
  747    HE2  HIS  98           HE2      HIS  98   6.095  -2.431 -14.871
  748    H    HIS  99           H        HIS  99   9.144   2.123 -19.710
  749    HA   HIS  99           HA       HIS  99  10.151   3.876 -18.732
  750    HB2  HIS  99           2HB      HIS  99   8.603   3.076 -16.221
  751    HB3  HIS  99           3HB      HIS  99   9.474   4.587 -16.421
  752    HD1  HIS  99           HD1      HIS  99   8.075   6.498 -17.174
  753    HD2  HIS  99           HD2      HIS  99   6.381   2.855 -18.247
  754    HE1  HIS  99           HE1      HIS  99   5.822   7.055 -18.129
  755    HE2  HIS  99           HE2      HIS  99   4.864   4.852 -18.864
  Start of MODEL   12
    1    H1   GLU   1           1H       GLU   1 -11.567  -1.514  19.098
    2    H2   GLU   1           2H       GLU   1 -11.636   0.145  18.795
    3    H3   GLU   1           3H       GLU   1 -10.599  -0.836  17.893
    4    HA   GLU   1           HA       GLU   1 -13.555  -0.970  17.876
    5    HB2  GLU   1           2HB      GLU   1 -11.636  -0.051  15.686
    6    HB3  GLU   1           3HB      GLU   1 -13.398  -0.078  15.578
    7    HG2  GLU   1           2HG      GLU   1 -11.706   1.699  17.368
    8    HG3  GLU   1           3HG      GLU   1 -12.594   2.193  15.928
    9    H    ASP   2           H        ASP   2 -14.296  -2.266  15.929
   10    HA   ASP   2           HA       ASP   2 -13.304  -4.913  15.939
   11    HB2  ASP   2           2HB      ASP   2 -15.129  -3.498  13.936
   12    HB3  ASP   2           3HB      ASP   2 -14.859  -5.239  13.958
   13    HA   PRO   3           HA       PRO   3 -10.129  -4.820  12.681
   14    HB2  PRO   3           2HB      PRO   3 -10.459  -7.336  11.572
   15    HB3  PRO   3           3HB      PRO   3  -9.632  -7.038  13.105
   16    HG2  PRO   3           2HG      PRO   3 -12.485  -7.897  12.637
   17    HG3  PRO   3           3HG      PRO   3 -11.301  -8.532  13.800
   18    HD2  PRO   3           2HD      PRO   3 -13.206  -6.798  14.572
   19    HD3  PRO   3           3HD      PRO   3 -11.569  -6.734  15.264
   20    H    GLU   4           H        GLU   4 -13.435  -4.694  12.033
   21    HA   GLU   4           HA       GLU   4 -13.267  -4.503   9.165
   22    HB2  GLU   4           2HB      GLU   4 -15.433  -3.787  11.170
   23    HB3  GLU   4           3HB      GLU   4 -15.599  -3.415   9.454
   24    HG2  GLU   4           2HG      GLU   4 -15.273  -6.178  10.671
   25    HG3  GLU   4           3HG      GLU   4 -16.751  -5.495   9.989
   26    H    ASP   5           H        ASP   5 -12.814  -2.326  11.863
   27    HA   ASP   5           HA       ASP   5 -13.056   0.166  10.586
   28    HB2  ASP   5           2HB      ASP   5 -12.854   0.025  13.026
   29    HB3  ASP   5           3HB      ASP   5 -11.257  -0.694  12.893
   30    HA   PRO   6           HA       PRO   6  -9.767   0.107   7.506
   31    HB2  PRO   6           2HB      PRO   6  -9.158   2.890   7.669
   32    HB3  PRO   6           3HB      PRO   6 -10.322   2.120   6.584
   33    HG2  PRO   6           2HG      PRO   6 -10.789   3.425   9.254
   34    HG3  PRO   6           3HG      PRO   6 -11.789   3.479   7.785
   35    HD2  PRO   6           2HD      PRO   6 -12.507   1.940   9.821
   36    HD3  PRO   6           3HD      PRO   6 -12.662   1.320   8.161
   37    H    PHE   7           H        PHE   7  -8.938   2.301  10.256
   38    HA   PHE   7           HA       PHE   7  -6.160   1.969  10.098
   39    HB2  PHE   7           2HB      PHE   7  -7.093   3.838  11.328
   40    HB3  PHE   7           3HB      PHE   7  -7.910   2.760  12.454
   41    HD1  PHE   7           HD1      PHE   7  -4.399   3.382  11.214
   42    HD2  PHE   7           HD2      PHE   7  -6.905   2.555  14.580
   43    HE1  PHE   7           HE1      PHE   7  -2.444   3.461  12.706
   44    HE2  PHE   7           HE2      PHE   7  -4.945   2.646  16.057
   45    HZ   PHE   7           HZ       PHE   7  -2.710   3.097  15.122
   46    H    THR   8           H        THR   8  -8.571   0.074  11.884
   47    HA   THR   8           HA       THR   8  -6.734  -1.304  13.574
   48    HB   THR   8           HB       THR   8  -9.561  -2.152  12.782
   49    HG1  THR   8           HG1      THR   8  -9.307  -0.049  13.803
   50   HG21  THR   8          3HG2      THR   8  -8.304  -4.023  13.818
   51   HG22  THR   8          1HG2      THR   8  -9.566  -3.431  14.902
   52   HG23  THR   8          2HG2      THR   8  -7.880  -2.992  15.187
   53    H    ARG   9           H        ARG   9  -8.321  -2.224  10.484
   54    HA   ARG   9           HA       ARG   9  -7.087  -4.835  10.362
   55    HB2  ARG   9           2HB      ARG   9  -8.170  -5.081   8.197
   56    HB3  ARG   9           3HB      ARG   9  -9.302  -4.437   9.370
   57    HG2  ARG   9           2HG      ARG   9  -8.820  -2.133   8.377
   58    HG3  ARG   9           3HG      ARG   9  -7.982  -2.986   7.077
   59    HD2  ARG   9           2HD      ARG   9 -10.922  -3.271   7.823
   60    HD3  ARG   9           3HD      ARG   9 -10.264  -2.464   6.398
   61    HE   ARG   9           HE       ARG   9  -9.379  -4.735   5.748
   62   HH11  ARG   9          1HH1      ARG   9 -12.241  -4.472   7.759
   63   HH12  ARG   9          2HH1      ARG   9 -12.929  -5.966   7.208
   64   HH21  ARG   9          1HH2      ARG   9 -10.293  -6.731   5.035
   65   HH22  ARG   9          2HH2      ARG   9 -11.834  -7.234   5.656
   66    H    TYR  10           H        TYR  10  -6.339  -1.644   9.171
   67    HA   TYR  10           HA       TYR  10  -4.248  -2.235   7.355
   68    HB2  TYR  10           2HB      TYR  10  -5.190  -0.004   7.450
   69    HB3  TYR  10           3HB      TYR  10  -4.760   0.171   9.145
   70    HD1  TYR  10           HD1      TYR  10  -3.147  -0.359   5.783
   71    HD2  TYR  10           HD2      TYR  10  -2.787   1.361   9.678
   72    HE1  TYR  10           HE1      TYR  10  -1.046   0.728   5.118
   73    HE2  TYR  10           HE2      TYR  10  -0.700   2.445   9.005
   74    HH   TYR  10           HH       TYR  10   1.099   2.082   7.326
   75    H    ALA  11           H        ALA  11  -4.160  -1.371  10.793
   76    HA   ALA  11           HA       ALA  11  -1.414  -1.764  11.286
   77    HB1  ALA  11           3HB      ALA  11  -3.754  -1.934  13.225
   78    HB2  ALA  11           1HB      ALA  11  -2.906  -0.456  12.768
   79    HB3  ALA  11           2HB      ALA  11  -2.058  -1.713  13.664
   80    H    LEU  12           H        LEU  12  -4.210  -3.905  11.441
   81    HA   LEU  12           HA       LEU  12  -2.993  -6.162  12.675
   82    HB2  LEU  12           2HB      LEU  12  -5.453  -5.756  12.596
   83    HB3  LEU  12           3HB      LEU  12  -5.438  -6.029  10.864
   84    HG   LEU  12           HG       LEU  12  -4.748  -8.400  11.257
   85   HD11  LEU  12          1HD1      LEU  12  -3.572  -8.187  13.379
   86   HD12  LEU  12          2HD1      LEU  12  -4.861  -9.381  13.510
   87   HD13  LEU  12          3HD1      LEU  12  -5.078  -7.773  14.209
   88   HD21  LEU  12          3HD2      LEU  12  -6.921  -9.208  12.073
   89   HD22  LEU  12          1HD2      LEU  12  -7.125  -7.850  10.968
   90   HD23  LEU  12          2HD2      LEU  12  -7.301  -7.605  12.707
   91    H    ALA  13           H        ALA  13  -3.371  -5.100   9.338
   92    HA   ALA  13           HA       ALA  13  -2.414  -7.422   8.017
   93    HB1  ALA  13           3HB      ALA  13  -2.139  -5.960   6.065
   94    HB2  ALA  13           1HB      ALA  13  -2.336  -4.529   7.083
   95    HB3  ALA  13           2HB      ALA  13  -3.681  -5.649   6.861
   96    H    GLN  14           H        GLN  14  -0.824  -4.419   9.077
   97    HA   GLN  14           HA       GLN  14   1.818  -5.038   8.304
   98    HB2  GLN  14           2HB      GLN  14   0.818  -3.282  10.581
   99    HB3  GLN  14           3HB      GLN  14   2.473  -3.292   9.977
  100    HG2  GLN  14           2HG      GLN  14   1.692  -2.472   7.790
  101    HG3  GLN  14           3HG      GLN  14   0.027  -2.508   8.360
  102   HE21  GLN  14          1HE2      GLN  14   0.630  -1.412  11.004
  103   HE22  GLN  14          2HE2      GLN  14   1.000   0.250  10.760
  104    H    GLU  15           H        GLU  15  -0.031  -5.879  11.206
  105    HA   GLU  15           HA       GLU  15   2.084  -7.088  12.691
  106    HB2  GLU  15           2HB      GLU  15  -0.924  -7.549  12.779
  107    HB3  GLU  15           3HB      GLU  15   0.208  -8.276  13.917
  108    HG2  GLU  15           2HG      GLU  15   0.849  -6.069  14.738
  109    HG3  GLU  15           3HG      GLU  15  -0.195  -5.302  13.548
  110    H    HIS  16           H        HIS  16  -0.372  -8.399  10.448
  111    HA   HIS  16           HA       HIS  16   0.259 -11.118  10.594
  112    HB2  HIS  16           2HB      HIS  16  -1.022  -9.478   8.389
  113    HB3  HIS  16           3HB      HIS  16  -0.730 -11.200   8.176
  114    HD1  HIS  16           HD1      HIS  16  -1.645 -12.390  10.780
  115    HD2  HIS  16           HD2      HIS  16  -3.689  -9.301   8.895
  116    HE1  HIS  16           HE1      HIS  16  -3.999 -12.529  11.620
  117    HE2  HIS  16           HE2      HIS  16  -5.217 -10.651  10.486
  118    H    LEU  17           H        LEU  17   1.738  -8.580   8.698
  119    HA   LEU  17           HA       LEU  17   3.384 -10.101   7.000
  120    HB2  LEU  17           2HB      LEU  17   3.831  -7.381   8.263
  121    HB3  LEU  17           3HB      LEU  17   4.842  -8.038   6.979
  122    HG   LEU  17           HG       LEU  17   1.857  -7.505   6.717
  123   HD11  LEU  17          1HD1      LEU  17   2.449  -5.593   5.341
  124   HD12  LEU  17          2HD1      LEU  17   4.164  -5.863   5.661
  125   HD13  LEU  17          3HD1      LEU  17   3.077  -5.414   6.978
  126   HD21  LEU  17          3HD2      LEU  17   2.205  -7.868   4.313
  127   HD22  LEU  17          1HD2      LEU  17   2.631  -9.305   5.239
  128   HD23  LEU  17          2HD2      LEU  17   3.900  -8.261   4.601
  129    H    LYS  18           H        LYS  18   3.961  -8.860  10.269
  130    HA   LYS  18           HA       LYS  18   6.603  -9.904  10.575
  131    HB2  LYS  18           2HB      LYS  18   4.642  -9.170  12.792
  132    HB3  LYS  18           3HB      LYS  18   6.399  -9.253  12.913
  133    HG2  LYS  18           2HG      LYS  18   6.550  -7.338  11.292
  134    HG3  LYS  18           3HG      LYS  18   4.787  -7.230  11.322
  135    HD2  LYS  18           2HD      LYS  18   4.942  -6.858  13.828
  136    HD3  LYS  18           3HD      LYS  18   6.695  -6.766  13.649
  137    HE2  LYS  18           2HE      LYS  18   5.805  -4.520  13.722
  138    HE3  LYS  18           3HE      LYS  18   6.359  -4.826  12.075
  139    HZ1  LYS  18           3HZ      LYS  18   4.217  -3.725  12.122
  140    HZ2  LYS  18           1HZ      LYS  18   3.548  -4.984  13.026
  141    HZ3  LYS  18           2HZ      LYS  18   4.071  -5.263  11.438
  142    H    HIS  19           H        HIS  19   3.361 -11.064  11.298
  143    HA   HIS  19           HA       HIS  19   4.230 -13.530  12.564
  144    HB2  HIS  19           2HB      HIS  19   1.484 -12.403  11.913
  145    HB3  HIS  19           3HB      HIS  19   1.714 -13.976  12.661
  146    HD1  HIS  19           HD1      HIS  19   1.645 -13.960  15.154
  147    HD2  HIS  19           HD2      HIS  19   2.720 -10.251  13.638
  148    HE1  HIS  19           HE1      HIS  19   1.789 -12.426  17.136
  149    HE2  HIS  19           HE2      HIS  19   2.544 -10.218  16.200
  150    H    ASP  20           H        ASP  20   4.485 -12.716   9.507
  151    HA   ASP  20           HA       ASP  20   5.050 -13.912   7.683
  152    HB2  ASP  20           2HB      ASP  20   5.872 -15.670   9.205
  153    HB3  ASP  20           3HB      ASP  20   4.263 -16.367   9.300
  154    H    ASN  21           H        ASN  21   1.925 -13.765   8.843
  155    HA   ASN  21           HA       ASN  21   0.479 -15.166   6.765
  156    HB2  ASN  21           2HB      ASN  21  -0.436 -13.225   8.929
  157    HB3  ASN  21           3HB      ASN  21  -1.523 -14.122   7.879
  158   HD21  ASN  21          1HD2      ASN  21  -0.258 -16.645   7.916
  159   HD22  ASN  21          2HD2      ASN  21  -0.409 -17.287   9.511
  160    H    ALA  22           H        ALA  22   2.056 -13.671   5.289
  161    HA   ALA  22           HA       ALA  22   1.417 -10.954   4.848
  162    HB1  ALA  22           3HB      ALA  22   3.600 -11.923   4.241
  163    HB2  ALA  22           1HB      ALA  22   2.836 -11.163   2.844
  164    HB3  ALA  22           2HB      ALA  22   2.829 -12.920   3.005
  165    H    SER  23           H        SER  23   0.235 -13.952   3.411
  166    HA   SER  23           HA       SER  23  -1.370 -13.026   1.351
  167    HB2  SER  23           2HB      SER  23  -1.977 -15.347   3.229
  168    HB3  SER  23           3HB      SER  23  -2.612 -15.135   1.596
  169    HG   SER  23           HG       SER  23  -0.911 -16.412   1.256
  170    H    ARG  24           H        ARG  24  -2.274 -13.405   4.809
  171    HA   ARG  24           HA       ARG  24  -4.957 -12.454   4.528
  172    HB2  ARG  24           2HB      ARG  24  -3.165 -12.725   6.985
  173    HB3  ARG  24           3HB      ARG  24  -4.878 -12.336   7.063
  174    HG2  ARG  24           2HG      ARG  24  -3.758 -14.891   5.874
  175    HG3  ARG  24           3HG      ARG  24  -4.353 -14.734   7.527
  176    HD2  ARG  24           2HD      ARG  24  -6.601 -14.221   6.705
  177    HD3  ARG  24           3HD      ARG  24  -6.023 -14.254   5.034
  178    HE   ARG  24           HE       ARG  24  -5.328 -16.705   5.915
  179   HH11  ARG  24          1HH1      ARG  24  -8.438 -15.033   6.021
  180   HH12  ARG  24          2HH1      ARG  24  -9.354 -16.501   5.925
  181   HH21  ARG  24          1HH2      ARG  24  -6.564 -18.605   5.797
  182   HH22  ARG  24          2HH2      ARG  24  -8.298 -18.519   5.814
  183    H    ALA  25           H        ALA  25  -1.849 -10.983   5.236
  184    HA   ALA  25           HA       ALA  25  -2.706  -8.376   5.964
  185    HB1  ALA  25           3HB      ALA  25  -0.103  -9.257   4.669
  186    HB2  ALA  25           1HB      ALA  25  -0.428  -9.217   6.403
  187    HB3  ALA  25           2HB      ALA  25  -0.386  -7.713   5.481
  188    H    LEU  26           H        LEU  26  -1.977  -9.954   2.908
  189    HA   LEU  26           HA       LEU  26  -1.917  -7.709   1.188
  190    HB2  LEU  26           2HB      LEU  26  -1.004 -10.040   0.698
  191    HB3  LEU  26           3HB      LEU  26  -2.656 -10.577   0.467
  192    HG   LEU  26           HG       LEU  26  -2.875  -8.926  -1.435
  193   HD11  LEU  26          1HD1      LEU  26  -1.124  -7.345  -0.793
  194   HD12  LEU  26          2HD1      LEU  26  -0.843  -7.966  -2.413
  195   HD13  LEU  26          3HD1      LEU  26   0.117  -8.573  -1.064
  196   HD21  LEU  26          3HD2      LEU  26  -0.672 -11.000  -1.754
  197   HD22  LEU  26          1HD2      LEU  26  -1.607 -10.262  -3.060
  198   HD23  LEU  26          2HD2      LEU  26  -2.409 -11.302  -1.887
  199    H    ALA  27           H        ALA  27  -4.413 -10.112   1.915
  200    HA   ALA  27           HA       ALA  27  -6.588  -9.148   0.502
  201    HB1  ALA  27           3HB      ALA  27  -6.559 -11.327   1.647
  202    HB2  ALA  27           1HB      ALA  27  -7.980 -10.397   2.119
  203    HB3  ALA  27           2HB      ALA  27  -6.605 -10.524   3.217
  204    H    LEU  28           H        LEU  28  -5.596  -8.285   3.841
  205    HA   LEU  28           HA       LEU  28  -7.730  -6.540   4.426
  206    HB2  LEU  28           2HB      LEU  28  -4.922  -6.641   5.578
  207    HB3  LEU  28           3HB      LEU  28  -6.182  -5.592   6.211
  208    HG   LEU  28           HG       LEU  28  -6.280  -8.639   6.178
  209   HD11  LEU  28          1HD1      LEU  28  -4.669  -7.813   7.817
  210   HD12  LEU  28          2HD1      LEU  28  -6.080  -8.486   8.626
  211   HD13  LEU  28          3HD1      LEU  28  -5.886  -6.735   8.507
  212   HD21  LEU  28          3HD2      LEU  28  -8.330  -8.412   7.537
  213   HD22  LEU  28          1HD2      LEU  28  -8.529  -7.716   5.932
  214   HD23  LEU  28          2HD2      LEU  28  -8.280  -6.662   7.323
  215    H    PHE  29           H        PHE  29  -4.503  -5.824   3.036
  216    HA   PHE  29           HA       PHE  29  -4.810  -3.001   2.966
  217    HB2  PHE  29           2HB      PHE  29  -2.988  -4.846   1.379
  218    HB3  PHE  29           3HB      PHE  29  -2.934  -3.098   1.233
  219    HD1  PHE  29           HD2      PHE  29  -3.014  -2.110   3.974
  220    HD2  PHE  29           HD1      PHE  29  -1.004  -5.546   2.408
  221    HE1  PHE  29           HE2      PHE  29  -1.345  -1.975   5.780
  222    HE2  PHE  29           HE1      PHE  29   0.663  -5.397   4.212
  223    HZ   PHE  29           HZ       PHE  29   0.492  -3.615   5.905
  224    H    GLU  30           H        GLU  30  -5.346  -5.532   0.501
  225    HA   GLU  30           HA       GLU  30  -6.187  -3.898  -1.618
  226    HB2  GLU  30           2HB      GLU  30  -6.847  -6.787  -0.942
  227    HB3  GLU  30           3HB      GLU  30  -7.373  -6.019  -2.434
  228    HG2  GLU  30           2HG      GLU  30  -4.967  -5.567  -2.991
  229    HG3  GLU  30           3HG      GLU  30  -4.512  -6.481  -1.551
  230    H    GLU  31           H        GLU  31  -7.973  -5.189   1.133
  231    HA   GLU  31           HA       GLU  31 -10.599  -4.518   0.240
  232    HB2  GLU  31           2HB      GLU  31  -9.989  -6.211   2.074
  233    HB3  GLU  31           3HB      GLU  31  -9.682  -4.843   3.136
  234    HG2  GLU  31           2HG      GLU  31 -11.900  -5.784   3.536
  235    HG3  GLU  31           3HG      GLU  31 -12.025  -4.132   2.926
  236    H    LEU  32           H        LEU  32  -8.123  -2.903   2.147
  237    HA   LEU  32           HA       LEU  32  -9.525  -0.626   2.994
  238    HB2  LEU  32           2HB      LEU  32  -6.596  -1.109   2.425
  239    HB3  LEU  32           3HB      LEU  32  -7.173   0.425   3.059
  240    HG   LEU  32           HG       LEU  32  -7.647  -2.218   4.481
  241   HD11  LEU  32          1HD1      LEU  32  -5.791  -1.668   5.964
  242   HD12  LEU  32          2HD1      LEU  32  -5.401  -0.250   4.991
  243   HD13  LEU  32          3HD1      LEU  32  -5.225  -1.866   4.308
  244   HD21  LEU  32          3HD2      LEU  32  -9.200  -0.431   5.075
  245   HD22  LEU  32          1HD2      LEU  32  -7.852   0.664   5.409
  246   HD23  LEU  32          2HD2      LEU  32  -8.103  -0.767   6.410
  247    H    VAL  33           H        VAL  33  -7.494  -1.121   0.090
  248    HA   VAL  33           HA       VAL  33  -7.658   1.417  -1.026
  249    HB   VAL  33           HB       VAL  33  -7.332  -1.297  -2.392
  250   HG11  VAL  33          1HG1      VAL  33  -6.475  -0.101  -4.391
  251   HG12  VAL  33          2HG1      VAL  33  -6.945   1.440  -3.668
  252   HG13  VAL  33          3HG1      VAL  33  -8.176   0.252  -4.093
  253   HG21  VAL  33          3HG2      VAL  33  -5.296   0.855  -1.661
  254   HG22  VAL  33          1HG2      VAL  33  -4.937  -0.659  -2.499
  255   HG23  VAL  33          2HG2      VAL  33  -5.522  -0.692  -0.838
  256    H    GLU  34           H        GLU  34  -9.710  -1.427  -1.816
  257    HA   GLU  34           HA       GLU  34 -11.318  -0.086  -3.688
  258    HB2  GLU  34           2HB      GLU  34 -12.810  -2.028  -3.626
  259    HB3  GLU  34           3HB      GLU  34 -11.123  -2.524  -3.678
  260    HG2  GLU  34           2HG      GLU  34 -11.169  -3.075  -1.303
  261    HG3  GLU  34           3HG      GLU  34 -12.820  -2.475  -1.161
  262    H    THR  35           H        THR  35 -11.877  -0.565  -0.163
  263    HA   THR  35           HA       THR  35 -14.528   0.585  -0.248
  264    HB   THR  35           HB       THR  35 -14.435   0.430   2.253
  265    HG1  THR  35           HG1      THR  35 -11.728  -0.119   1.694
  266   HG21  THR  35          3HG2      THR  35 -15.155  -1.561   0.970
  267   HG22  THR  35          1HG2      THR  35 -14.284  -2.021   2.437
  268   HG23  THR  35          2HG2      THR  35 -13.478  -2.103   0.871
  269    H    ASP  36           H        ASP  36 -11.295   1.735   0.419
  270    HA   ASP  36           HA       ASP  36 -12.224   4.481   0.916
  271    HB2  ASP  36           2HB      ASP  36 -11.945   3.221   3.135
  272    HB3  ASP  36           3HB      ASP  36 -10.232   3.085   2.764
  273    HA   PRO  37           HA       PRO  37  -8.536   4.565  -1.896
  274    HB2  PRO  37           2HB      PRO  37  -9.263   6.802  -3.300
  275    HB3  PRO  37           3HB      PRO  37  -9.927   5.203  -3.665
  276    HG2  PRO  37           2HG      PRO  37 -11.135   7.413  -1.997
  277    HG3  PRO  37           3HG      PRO  37 -11.894   6.433  -3.270
  278    HD2  PRO  37           2HD      PRO  37 -12.243   5.869  -0.639
  279    HD3  PRO  37           3HD      PRO  37 -12.174   4.585  -1.867
  280    H    ASP  38           H        ASP  38  -9.864   6.767   0.419
  281    HA   ASP  38           HA       ASP  38  -8.022   8.907   0.332
  282    HB2  ASP  38           2HB      ASP  38 -10.256   8.975   1.471
  283    HB3  ASP  38           3HB      ASP  38  -9.666   7.856   2.687
  284    H    TYR  39           H        TYR  39  -7.967   5.758   1.990
  285    HA   TYR  39           HA       TYR  39  -5.883   6.368   3.825
  286    HB2  TYR  39           2HB      TYR  39  -7.616   4.249   3.625
  287    HB3  TYR  39           3HB      TYR  39  -6.163   3.481   3.007
  288    HD1  TYR  39           HD2      TYR  39  -4.069   3.507   4.475
  289    HD2  TYR  39           HD1      TYR  39  -7.889   4.639   5.993
  290    HE1  TYR  39           HE2      TYR  39  -3.235   3.250   6.752
  291    HE2  TYR  39           HE1      TYR  39  -7.043   4.406   8.283
  292    HH   TYR  39           HH       TYR  39  -3.701   3.938   8.984
  293    H    VAL  40           H        VAL  40  -4.247   7.358   2.699
  294    HA   VAL  40           HA       VAL  40  -2.996   6.398   0.331
  295    HB   VAL  40           HB       VAL  40  -1.923   8.381   2.396
  296   HG11  VAL  40          1HG1      VAL  40  -0.531   9.239   0.520
  297   HG12  VAL  40          2HG1      VAL  40  -1.083   7.897  -0.483
  298   HG13  VAL  40          3HG1      VAL  40  -0.126   7.580   0.966
  299   HG21  VAL  40          3HG2      VAL  40  -4.096   9.127   1.508
  300   HG22  VAL  40          1HG2      VAL  40  -3.525   8.905  -0.145
  301   HG23  VAL  40          2HG2      VAL  40  -2.806  10.147   0.880
  302    H    GLY  41           H        GLY  41  -2.357   5.927   3.753
  303    HA2  GLY  41           2HA      GLY  41   0.298   4.955   3.703
  304    HA3  GLY  41           3HA      GLY  41  -0.893   4.654   4.962
  305    H    THR  42           H        THR  42  -2.814   3.400   3.186
  306    HA   THR  42           HA       THR  42  -2.082   0.703   3.279
  307    HB   THR  42           HB       THR  42  -4.206   2.071   1.568
  308    HG1  THR  42           HG1      THR  42  -5.529   1.643   3.255
  309   HG21  THR  42          3HG2      THR  42  -3.867  -0.884   2.223
  310   HG22  THR  42          1HG2      THR  42  -3.660  -0.148   0.633
  311   HG23  THR  42          2HG2      THR  42  -5.247  -0.166   1.392
  312    H    TYR  43           H        TYR  43  -2.114   2.978   0.528
  313    HA   TYR  43           HA       TYR  43  -1.517   1.164  -1.518
  314    HB2  TYR  43           2HB      TYR  43  -1.005   4.159  -1.344
  315    HB3  TYR  43           3HB      TYR  43  -0.763   3.225  -2.817
  316    HD1  TYR  43           HD2      TYR  43  -3.302   4.604  -0.509
  317    HD2  TYR  43           HD1      TYR  43  -2.676   2.356  -4.086
  318    HE1  TYR  43           HE2      TYR  43  -5.667   4.887  -1.114
  319    HE2  TYR  43           HE1      TYR  43  -5.034   2.643  -4.677
  320    HH   TYR  43           HH       TYR  43  -7.043   4.863  -3.107
  321    H    TYR  44           H        TYR  44   0.700   3.300   0.283
  322    HA   TYR  44           HA       TYR  44   3.115   2.565  -0.812
  323    HB2  TYR  44           2HB      TYR  44   2.659   4.429   0.833
  324    HB3  TYR  44           3HB      TYR  44   2.612   3.230   2.121
  325    HD1  TYR  44           HD2      TYR  44   4.868   4.491  -0.622
  326    HD2  TYR  44           HD1      TYR  44   4.630   2.752   3.276
  327    HE1  TYR  44           HE2      TYR  44   7.294   4.743  -0.357
  328    HE2  TYR  44           HE1      TYR  44   7.058   3.002   3.525
  329    HH   TYR  44           HH       TYR  44   8.884   4.988   1.709
  330    H    HIS  45           H        HIS  45   1.459   1.107   1.953
  331    HA   HIS  45           HA       HIS  45   3.500  -0.855   2.487
  332    HB2  HIS  45           2HB      HIS  45   0.738  -0.330   3.635
  333    HB3  HIS  45           3HB      HIS  45   1.668  -1.743   4.124
  334    HD1  HIS  45           HD1      HIS  45   3.232  -1.389   6.030
  335    HD2  HIS  45           HD2      HIS  45   2.300   2.178   4.125
  336    HE1  HIS  45           HE1      HIS  45   4.422   0.400   7.325
  337    HE2  HIS  45           HE2      HIS  45   3.849   2.547   6.152
  338    H    LEU  46           H        LEU  46   0.575  -0.868   0.610
  339    HA   LEU  46           HA       LEU  46   0.336  -3.717   0.292
  340    HB2  LEU  46           2HB      LEU  46  -1.646  -2.264   0.086
  341    HB3  LEU  46           3HB      LEU  46  -0.903  -1.397  -1.246
  342    HG   LEU  46           HG       LEU  46  -1.070  -3.393  -2.684
  343   HD11  LEU  46          1HD1      LEU  46  -2.243  -5.415  -2.020
  344   HD12  LEU  46          2HD1      LEU  46  -2.448  -4.796  -0.385
  345   HD13  LEU  46          3HD1      LEU  46  -0.833  -5.162  -0.991
  346   HD21  LEU  46          3HD2      LEU  46  -2.957  -1.827  -2.698
  347   HD22  LEU  46          1HD2      LEU  46  -3.726  -2.716  -1.379
  348   HD23  LEU  46          2HD2      LEU  46  -3.508  -3.479  -2.953
  349    H    GLY  47           H        GLY  47   1.779  -1.019  -1.457
  350    HA2  GLY  47           2HA      GLY  47   2.533  -2.405  -3.833
  351    HA3  GLY  47           3HA      GLY  47   3.121  -0.843  -3.288
  352    H    LYS  48           H        LYS  48   4.238  -1.516  -0.825
  353    HA   LYS  48           HA       LYS  48   6.797  -2.509  -1.491
  354    HB2  LYS  48           2HB      LYS  48   5.477  -2.070   1.215
  355    HB3  LYS  48           3HB      LYS  48   7.133  -2.649   1.067
  356    HG2  LYS  48           2HG      LYS  48   6.084   0.006   0.034
  357    HG3  LYS  48           3HG      LYS  48   7.054  -0.226   1.495
  358    HD2  LYS  48           2HD      LYS  48   8.929  -1.072   0.097
  359    HD3  LYS  48           3HD      LYS  48   7.954  -0.840  -1.354
  360    HE2  LYS  48           2HE      LYS  48   9.452   1.017  -1.204
  361    HE3  LYS  48           3HE      LYS  48   7.853   1.629  -0.770
  362    HZ1  LYS  48           3HZ      LYS  48  10.048   0.902   1.084
  363    HZ2  LYS  48           1HZ      LYS  48   8.497   1.369   1.578
  364    HZ3  LYS  48           2HZ      LYS  48   9.489   2.461   0.747
  365    H    LEU  49           H        LEU  49   3.963  -4.039  -0.037
  366    HA   LEU  49           HA       LEU  49   5.162  -6.571   0.482
  367    HB2  LEU  49           2HB      LEU  49   3.077  -5.854   1.583
  368    HB3  LEU  49           3HB      LEU  49   2.240  -5.855   0.039
  369    HG   LEU  49           HG       LEU  49   2.386  -8.292  -0.114
  370   HD11  LEU  49          1HD1      LEU  49   3.980  -8.235   2.475
  371   HD12  LEU  49          2HD1      LEU  49   4.588  -8.684   0.878
  372   HD13  LEU  49          3HD1      LEU  49   3.374  -9.687   1.668
  373   HD21  LEU  49          3HD2      LEU  49   1.422  -7.456   2.650
  374   HD22  LEU  49          1HD2      LEU  49   0.963  -8.931   1.791
  375   HD23  LEU  49          2HD2      LEU  49   0.486  -7.359   1.156
  376    H    TYR  50           H        TYR  50   3.335  -5.257  -2.292
  377    HA   TYR  50           HA       TYR  50   3.285  -7.503  -3.953
  378    HB2  TYR  50           2HB      TYR  50   3.336  -4.539  -4.563
  379    HB3  TYR  50           3HB      TYR  50   3.370  -5.708  -5.876
  380    HD1  TYR  50           HD2      TYR  50   1.463  -7.769  -4.653
  381    HD2  TYR  50           HD1      TYR  50   1.205  -3.518  -5.013
  382    HE1  TYR  50           HE2      TYR  50  -0.977  -7.915  -4.634
  383    HE2  TYR  50           HE1      TYR  50  -1.247  -3.680  -5.003
  384    HH   TYR  50           HH       TYR  50  -2.996  -5.257  -5.418
  385    H    GLU  51           H        GLU  51   5.837  -5.026  -3.634
  386    HA   GLU  51           HA       GLU  51   7.605  -5.855  -5.622
  387    HB2  GLU  51           2HB      GLU  51   8.269  -4.717  -2.880
  388    HB3  GLU  51           3HB      GLU  51   9.407  -4.808  -4.220
  389    HG2  GLU  51           2HG      GLU  51   8.066  -3.213  -5.503
  390    HG3  GLU  51           3HG      GLU  51   6.849  -3.176  -4.227
  391    H    ARG  52           H        ARG  52   7.276  -6.957  -2.281
  392    HA   ARG  52           HA       ARG  52   9.473  -8.778  -2.215
  393    HB2  ARG  52           2HB      ARG  52   6.976  -8.638  -0.473
  394    HB3  ARG  52           3HB      ARG  52   8.415  -9.589  -0.103
  395    HG2  ARG  52           2HG      ARG  52   9.746  -7.574   0.163
  396    HG3  ARG  52           3HG      ARG  52   8.410  -6.567  -0.399
  397    HD2  ARG  52           2HD      ARG  52   8.606  -6.446   2.034
  398    HD3  ARG  52           3HD      ARG  52   7.084  -7.219   1.581
  399    HE   ARG  52           HE       ARG  52   9.183  -9.115   2.038
  400   HH11  ARG  52          1HH1      ARG  52   6.845  -7.134   3.760
  401   HH12  ARG  52          2HH1      ARG  52   6.787  -8.196   5.128
  402   HH21  ARG  52          1HH2      ARG  52   9.090 -10.491   3.835
  403   HH22  ARG  52          2HH2      ARG  52   8.057 -10.093   5.173
  404    H    LEU  53           H        LEU  53   6.042  -9.107  -3.027
  405    HA   LEU  53           HA       LEU  53   6.130 -11.990  -3.364
  406    HB2  LEU  53           2HB      LEU  53   3.981  -9.960  -4.084
  407    HB3  LEU  53           3HB      LEU  53   3.768 -11.705  -4.105
  408    HG   LEU  53           HG       LEU  53   4.312 -10.031  -1.617
  409   HD11  LEU  53          1HD1      LEU  53   1.993 -10.515  -0.976
  410   HD12  LEU  53          2HD1      LEU  53   1.727 -11.334  -2.518
  411   HD13  LEU  53          3HD1      LEU  53   2.073  -9.604  -2.484
  412   HD21  LEU  53          3HD2      LEU  53   3.842 -12.086  -0.337
  413   HD22  LEU  53          1HD2      LEU  53   5.255 -12.281  -1.368
  414   HD23  LEU  53          2HD2      LEU  53   3.716 -13.007  -1.835
  415    H    ASP  54           H        ASP  54   7.687  -9.884  -5.167
  416    HA   ASP  54           HA       ASP  54   8.433  -9.631  -7.276
  417    HB2  ASP  54           2HB      ASP  54   7.199 -12.389  -7.720
  418    HB3  ASP  54           3HB      ASP  54   8.280 -11.593  -8.858
  419    H    ARG  55           H        ARG  55   5.552  -9.033  -6.536
  420    HA   ARG  55           HA       ARG  55   4.246  -8.817  -9.161
  421    HB2  ARG  55           2HB      ARG  55   3.176  -8.161  -6.366
  422    HB3  ARG  55           3HB      ARG  55   2.239  -8.156  -7.855
  423    HG2  ARG  55           2HG      ARG  55   3.416 -10.559  -6.431
  424    HG3  ARG  55           3HG      ARG  55   1.709 -10.157  -6.644
  425    HD2  ARG  55           2HD      ARG  55   3.682 -11.035  -8.774
  426    HD3  ARG  55           3HD      ARG  55   2.265 -11.918  -8.198
  427    HE   ARG  55           HE       ARG  55   1.416  -9.445  -9.237
  428   HH11  ARG  55          1HH1      ARG  55   2.758 -12.487 -10.415
  429   HH12  ARG  55          2HH1      ARG  55   2.108 -12.282 -12.011
  430   HH21  ARG  55          1HH2      ARG  55   0.639  -9.164 -11.329
  431   HH22  ARG  55          2HH2      ARG  55   0.909 -10.393 -12.530
  432    H    THR  56           H        THR  56   6.428  -7.351  -9.181
  433    HA   THR  56           HA       THR  56   6.374  -4.770  -8.025
  434    HB   THR  56           HB       THR  56   7.868  -5.623 -10.540
  435    HG1  THR  56           HG1      THR  56   8.736  -6.998  -9.183
  436   HG21  THR  56          3HG2      THR  56   8.516  -3.490  -8.465
  437   HG22  THR  56          1HG2      THR  56   7.967  -3.187 -10.115
  438   HG23  THR  56          2HG2      THR  56   9.537  -3.938  -9.832
  439    H    ASP  57           H        ASP  57   5.153  -6.039 -11.072
  440    HA   ASP  57           HA       ASP  57   4.513  -3.638 -12.408
  441    HB2  ASP  57           2HB      ASP  57   4.517  -5.863 -13.514
  442    HB3  ASP  57           3HB      ASP  57   3.146  -6.366 -12.530
  443    H    ASP  58           H        ASP  58   2.654  -5.680 -10.208
  444    HA   ASP  58           HA       ASP  58   0.264  -4.175 -10.004
  445    HB2  ASP  58           2HB      ASP  58   1.595  -5.965  -7.911
  446    HB3  ASP  58           3HB      ASP  58  -0.061  -5.362  -7.815
  447    H    ALA  59           H        ALA  59   3.353  -4.034  -8.291
  448    HA   ALA  59           HA       ALA  59   2.673  -2.288  -6.190
  449    HB1  ALA  59           3HB      ALA  59   4.715  -3.673  -6.136
  450    HB2  ALA  59           1HB      ALA  59   5.105  -1.967  -5.887
  451    HB3  ALA  59           2HB      ALA  59   5.407  -2.727  -7.452
  452    H    ILE  60           H        ILE  60   4.199  -1.617  -9.366
  453    HA   ILE  60           HA       ILE  60   4.581   1.136  -9.152
  454    HB   ILE  60           HB       ILE  60   3.903  -0.360 -11.739
  455   HG12  ILE  60          2HG1      ILE  60   5.803  -1.515 -10.769
  456   HG13  ILE  60          3HG1      ILE  60   6.436  -0.501 -12.056
  457   HG21  ILE  60          1HG2      ILE  60   5.383   2.274 -11.346
  458   HG22  ILE  60          2HG2      ILE  60   3.773   2.061 -12.033
  459   HG23  ILE  60          3HG2      ILE  60   5.177   1.437 -12.890
  460   HD11  ILE  60          3HD1      ILE  60   7.881  -0.430 -10.145
  461   HD12  ILE  60          1HD1      ILE  60   6.555   0.068  -9.097
  462   HD13  ILE  60          2HD1      ILE  60   7.136   1.150 -10.366
  463    H    ASP  61           H        ASP  61   1.775  -0.722 -10.156
  464    HA   ASP  61           HA       ASP  61   0.169   1.482 -11.043
  465    HB2  ASP  61           2HB      ASP  61  -0.037  -0.940 -11.834
  466    HB3  ASP  61           3HB      ASP  61  -0.786  -1.318 -10.289
  467    H    THR  62           H        THR  62   0.505  -0.308  -8.015
  468    HA   THR  62           HA       THR  62  -1.757   0.818  -6.654
  469    HB   THR  62           HB       THR  62   0.728  -0.548  -5.511
  470    HG1  THR  62           HG1      THR  62  -0.210  -2.172  -6.495
  471   HG21  THR  62          3HG2      THR  62  -0.484   0.722  -3.756
  472   HG22  THR  62          1HG2      THR  62  -0.663  -1.020  -3.518
  473   HG23  THR  62          2HG2      THR  62  -1.987  -0.079  -4.207
  474    H    TYR  63           H        TYR  63   1.687   1.615  -6.812
  475    HA   TYR  63           HA       TYR  63   1.642   3.814  -5.004
  476    HB2  TYR  63           2HB      TYR  63   3.580   3.171  -7.262
  477    HB3  TYR  63           3HB      TYR  63   3.815   4.478  -6.100
  478    HD1  TYR  63           HD1      TYR  63   3.164   3.284  -3.516
  479    HD2  TYR  63           HD2      TYR  63   5.217   1.541  -6.825
  480    HE1  TYR  63           HE1      TYR  63   4.350   1.771  -1.992
  481    HE2  TYR  63           HE2      TYR  63   6.393   0.033  -5.301
  482    HH   TYR  63           HH       TYR  63   6.979  -0.175  -3.048
  483    H    ALA  64           H        ALA  64   1.257   3.495  -8.521
  484    HA   ALA  64           HA       ALA  64   0.986   6.166  -9.252
  485    HB1  ALA  64           3HB      ALA  64  -0.398   3.750 -10.459
  486    HB2  ALA  64           1HB      ALA  64   1.214   4.335 -10.880
  487    HB3  ALA  64           2HB      ALA  64  -0.207   5.320 -11.240
  488    H    GLN  65           H        GLN  65  -1.573   3.854  -8.317
  489    HA   GLN  65           HA       GLN  65  -3.782   5.589  -8.236
  490    HB2  GLN  65           2HB      GLN  65  -3.141   3.017  -6.757
  491    HB3  GLN  65           3HB      GLN  65  -4.672   3.853  -6.515
  492    HG2  GLN  65           2HG      GLN  65  -3.827   3.139  -9.308
  493    HG3  GLN  65           3HG      GLN  65  -4.460   1.881  -8.255
  494   HE21  GLN  65          1HE2      GLN  65  -5.685   5.214  -8.124
  495   HE22  GLN  65          2HE2      GLN  65  -7.240   4.828  -8.743
  496    H    GLY  66           H        GLY  66  -1.408   4.712  -5.808
  497    HA2  GLY  66           2HA      GLY  66  -2.304   6.113  -3.583
  498    HA3  GLY  66           3HA      GLY  66  -0.632   5.706  -3.927
  499    H    ILE  67           H        ILE  67  -0.222   7.193  -6.240
  500    HA   ILE  67           HA       ILE  67   0.559   9.691  -5.214
  501    HB   ILE  67           HB       ILE  67   0.434   8.522  -8.020
  502   HG12  ILE  67          2HG1      ILE  67   2.825   9.403  -6.309
  503   HG13  ILE  67          3HG1      ILE  67   2.205   7.758  -6.397
  504   HG21  ILE  67          1HG2      ILE  67   0.021  10.915  -8.394
  505   HG22  ILE  67          2HG2      ILE  67   1.629  10.478  -8.956
  506   HG23  ILE  67          3HG2      ILE  67   1.434  11.338  -7.429
  507   HD11  ILE  67          3HD1      ILE  67   2.805   7.641  -8.753
  508   HD12  ILE  67          1HD1      ILE  67   4.189   8.071  -7.751
  509   HD13  ILE  67          2HD1      ILE  67   3.375   9.313  -8.696
  510    H    GLU  68           H        GLU  68  -2.235   8.724  -7.144
  511    HA   GLU  68           HA       GLU  68  -3.267  11.273  -7.792
  512    HB2  GLU  68           2HB      GLU  68  -4.765   8.640  -7.437
  513    HB3  GLU  68           3HB      GLU  68  -5.365  10.054  -8.309
  514    HG2  GLU  68           2HG      GLU  68  -3.513   9.809  -9.939
  515    HG3  GLU  68           3HG      GLU  68  -2.941   8.389  -9.073
  516    H    VAL  69           H        VAL  69  -3.898   9.083  -5.076
  517    HA   VAL  69           HA       VAL  69  -5.782  10.922  -3.798
  518    HB   VAL  69           HB       VAL  69  -6.107   9.235  -2.087
  519   HG11  VAL  69          1HG1      VAL  69  -7.010   7.399  -3.475
  520   HG12  VAL  69          2HG1      VAL  69  -6.076   7.977  -4.859
  521   HG13  VAL  69          3HG1      VAL  69  -7.362   8.978  -4.182
  522   HG21  VAL  69          3HG2      VAL  69  -3.808   8.398  -1.825
  523   HG22  VAL  69          1HG2      VAL  69  -3.890   7.615  -3.404
  524   HG23  VAL  69          2HG2      VAL  69  -4.928   7.064  -2.085
  525    H    ALA  70           H        ALA  70  -2.393  10.332  -3.651
  526    HA   ALA  70           HA       ALA  70  -1.929  11.115  -0.915
  527    HB1  ALA  70           3HB      ALA  70   0.448  11.075  -1.463
  528    HB2  ALA  70           1HB      ALA  70   0.064  10.945  -3.186
  529    HB3  ALA  70           2HB      ALA  70  -0.366   9.637  -2.083
  530    H    ARG  71           H        ARG  71  -1.614  12.715  -4.052
  531    HA   ARG  71           HA       ARG  71  -0.647  15.180  -3.089
  532    HB2  ARG  71           2HB      ARG  71  -1.307  16.078  -5.321
  533    HB3  ARG  71           3HB      ARG  71  -0.371  14.593  -5.422
  534    HG2  ARG  71           2HG      ARG  71  -2.471  13.321  -5.817
  535    HG3  ARG  71           3HG      ARG  71  -3.371  14.838  -5.774
  536    HD2  ARG  71           2HD      ARG  71  -1.230  14.073  -7.791
  537    HD3  ARG  71           3HD      ARG  71  -2.970  14.137  -8.093
  538    HE   ARG  71           HE       ARG  71  -1.173  16.423  -7.637
  539   HH11  ARG  71          1HH1      ARG  71  -4.355  15.288  -8.615
  540   HH12  ARG  71          2HH1      ARG  71  -4.809  16.814  -9.296
  541   HH21  ARG  71          1HH2      ARG  71  -1.779  18.393  -8.525
  542   HH22  ARG  71          2HH2      ARG  71  -3.349  18.579  -9.235
  543    H    GLU  72           H        GLU  72  -3.958  13.957  -3.542
  544    HA   GLU  72           HA       GLU  72  -5.159  16.568  -3.010
  545    HB2  GLU  72           2HB      GLU  72  -6.449  13.877  -3.611
  546    HB3  GLU  72           3HB      GLU  72  -7.303  15.415  -3.501
  547    HG2  GLU  72           2HG      GLU  72  -5.228  14.629  -5.565
  548    HG3  GLU  72           3HG      GLU  72  -6.963  14.812  -5.826
  549    H    GLU  73           H        GLU  73  -5.373  13.296  -1.581
  550    HA   GLU  73           HA       GLU  73  -6.949  14.273   0.671
  551    HB2  GLU  73           2HB      GLU  73  -6.073  11.413   0.088
  552    HB3  GLU  73           3HB      GLU  73  -7.351  11.924   1.188
  553    HG2  GLU  73           2HG      GLU  73  -7.365  12.135  -1.840
  554    HG3  GLU  73           3HG      GLU  73  -8.296  11.007  -0.858
  555    H    GLY  74           H        GLY  74  -3.767  12.751   0.101
  556    HA2  GLY  74           2HA      GLY  74  -3.050  12.885   2.947
  557    HA3  GLY  74           3HA      GLY  74  -2.116  12.161   1.644
  558    H    THR  75           H        THR  75  -0.423  13.457   2.952
  559    HA   THR  75           HA       THR  75  -0.255  16.275   2.082
  560    HB   THR  75           HB       THR  75   1.724  16.406   3.589
  561    HG1  THR  75           HG1      THR  75   1.079  13.701   4.215
  562   HG21  THR  75          3HG2      THR  75   0.542  16.175   5.737
  563   HG22  THR  75          1HG2      THR  75  -0.721  15.221   4.954
  564   HG23  THR  75          2HG2      THR  75  -0.505  16.922   4.530
  565    H    GLN  76           H        GLN  76   2.077  16.929   1.372
  566    HA   GLN  76           HA       GLN  76   2.786  15.593  -1.012
  567    HB2  GLN  76           2HB      GLN  76   3.227  18.016  -0.604
  568    HB3  GLN  76           3HB      GLN  76   4.450  17.584   0.590
  569    HG2  GLN  76           2HG      GLN  76   5.682  16.369  -1.287
  570    HG3  GLN  76           3HG      GLN  76   4.526  17.091  -2.404
  571   HE21  GLN  76          1HE2      GLN  76   4.630  19.326  -2.812
  572   HE22  GLN  76          2HE2      GLN  76   6.009  20.272  -2.384
  573    H    LYS  77           H        LYS  77   3.913  15.275   2.288
  574    HA   LYS  77           HA       LYS  77   6.314  13.879   1.921
  575    HB2  LYS  77           2HB      LYS  77   5.493  14.780   4.109
  576    HB3  LYS  77           3HB      LYS  77   4.276  13.506   4.156
  577    HG2  LYS  77           2HG      LYS  77   6.083  11.796   4.213
  578    HG3  LYS  77           3HG      LYS  77   7.291  13.084   4.214
  579    HD2  LYS  77           2HD      LYS  77   5.214  12.554   6.378
  580    HD3  LYS  77           3HD      LYS  77   6.942  12.212   6.484
  581    HE2  LYS  77           2HE      LYS  77   7.408  14.641   6.267
  582    HE3  LYS  77           3HE      LYS  77   5.672  14.962   6.251
  583    HZ1  LYS  77           3HZ      LYS  77   6.547  15.302   8.442
  584    HZ2  LYS  77           1HZ      LYS  77   7.230  13.755   8.471
  585    HZ3  LYS  77           2HZ      LYS  77   5.551  13.934   8.467
  586    H    ASP  78           H        ASP  78   2.972  12.669   2.296
  587    HA   ASP  78           HA       ASP  78   3.419   9.903   1.957
  588    HB2  ASP  78           2HB      ASP  78   0.958  11.569   1.262
  589    HB3  ASP  78           3HB      ASP  78   0.992   9.810   1.285
  590    H    LEU  79           H        LEU  79   2.600  12.438  -0.363
  591    HA   LEU  79           HA       LEU  79   2.415  11.003  -2.734
  592    HB2  LEU  79           2HB      LEU  79   1.743  13.362  -2.474
  593    HB3  LEU  79           3HB      LEU  79   3.418  13.836  -2.255
  594    HG   LEU  79           HG       LEU  79   3.898  13.142  -4.619
  595   HD11  LEU  79          1HD1      LEU  79   2.147  11.469  -4.908
  596   HD12  LEU  79          2HD1      LEU  79   2.044  12.701  -6.161
  597   HD13  LEU  79          3HD1      LEU  79   0.904  12.722  -4.813
  598   HD21  LEU  79          3HD2      LEU  79   3.409  15.495  -4.088
  599   HD22  LEU  79          1HD2      LEU  79   1.683  15.206  -4.330
  600   HD23  LEU  79          2HD2      LEU  79   2.806  15.065  -5.684
  601    H    SER  80           H        SER  80   5.271  12.497  -1.255
  602    HA   SER  80           HA       SER  80   7.116  11.939  -3.324
  603    HB2  SER  80           2HB      SER  80   7.605  12.624  -0.399
  604    HB3  SER  80           3HB      SER  80   8.836  12.650  -1.666
  605    HG   SER  80           HG       SER  80   6.778  14.426  -1.138
  606    H    GLU  81           H        GLU  81   6.109  10.172  -0.447
  607    HA   GLU  81           HA       GLU  81   8.128   8.190  -0.410
  608    HB2  GLU  81           2HB      GLU  81   5.253   8.167   0.599
  609    HB3  GLU  81           3HB      GLU  81   6.362   6.829   0.868
  610    HG2  GLU  81           2HG      GLU  81   6.732   9.663   1.869
  611    HG3  GLU  81           3HG      GLU  81   6.211   8.282   2.832
  612    H    LEU  82           H        LEU  82   4.968   8.332  -1.995
  613    HA   LEU  82           HA       LEU  82   4.995   5.668  -3.050
  614    HB2  LEU  82           2HB      LEU  82   3.313   8.099  -3.721
  615    HB3  LEU  82           3HB      LEU  82   2.977   6.472  -4.307
  616    HG   LEU  82           HG       LEU  82   3.145   7.059  -1.329
  617   HD11  LEU  82          1HD1      LEU  82   0.709   7.269  -1.284
  618   HD12  LEU  82          2HD1      LEU  82   0.678   7.251  -3.046
  619   HD13  LEU  82          3HD1      LEU  82   1.471   8.572  -2.191
  620   HD21  LEU  82          3HD2      LEU  82   1.752   5.049  -1.134
  621   HD22  LEU  82          1HD2      LEU  82   3.260   4.695  -1.971
  622   HD23  LEU  82          2HD2      LEU  82   1.757   4.851  -2.887
  623    H    GLN  83           H        GLN  83   5.760   8.851  -4.378
  624    HA   GLN  83           HA       GLN  83   6.179   8.129  -7.089
  625    HB2  GLN  83           2HB      GLN  83   7.299  10.427  -5.421
  626    HB3  GLN  83           3HB      GLN  83   7.538  10.284  -7.163
  627    HG2  GLN  83           2HG      GLN  83   5.164  10.507  -7.571
  628    HG3  GLN  83           3HG      GLN  83   4.811  10.461  -5.847
  629   HE21  GLN  83          1HE2      GLN  83   6.950  12.219  -5.051
  630   HE22  GLN  83          2HE2      GLN  83   6.527  13.803  -5.570
  631    H    ASP  84           H        ASP  84   8.365   8.528  -4.332
  632    HA   ASP  84           HA       ASP  84  10.790   7.799  -5.547
  633    HB2  ASP  84           2HB      ASP  84  10.748   8.928  -3.387
  634    HB3  ASP  84           3HB      ASP  84   9.877   7.588  -2.650
  635    H    ALA  85           H        ALA  85   8.337   5.857  -3.858
  636    HA   ALA  85           HA       ALA  85   9.804   3.471  -3.682
  637    HB1  ALA  85           3HB      ALA  85   7.669   2.432  -3.059
  638    HB2  ALA  85           1HB      ALA  85   6.795   3.859  -3.627
  639    HB3  ALA  85           2HB      ALA  85   7.877   3.980  -2.239
  640    H    LYS  86           H        LYS  86   7.340   4.523  -6.076
  641    HA   LYS  86           HA       LYS  86   7.454   2.111  -7.577
  642    HB2  LYS  86           2HB      LYS  86   6.265   3.289  -9.381
  643    HB3  LYS  86           3HB      LYS  86   5.506   3.515  -7.814
  644    HG2  LYS  86           2HG      LYS  86   6.275   5.775  -7.655
  645    HG3  LYS  86           3HG      LYS  86   7.340   5.585  -9.048
  646    HD2  LYS  86           2HD      LYS  86   4.295   5.497  -9.125
  647    HD3  LYS  86           3HD      LYS  86   5.300   6.864  -9.606
  648    HE2  LYS  86           2HE      LYS  86   6.365   5.407 -11.339
  649    HE3  LYS  86           3HE      LYS  86   5.210   4.138 -10.928
  650    HZ1  LYS  86           3HZ      LYS  86   3.421   5.614 -11.585
  651    HZ2  LYS  86           1HZ      LYS  86   4.515   5.402 -12.853
  652    HZ3  LYS  86           2HZ      LYS  86   4.524   6.838 -11.964
  653    H    LEU  87           H        LEU  87   9.314   5.188  -7.925
  654    HA   LEU  87           HA       LEU  87  10.324   4.509 -10.504
  655    HB2  LEU  87           2HB      LEU  87  11.943   6.366 -10.245
  656    HB3  LEU  87           3HB      LEU  87  10.285   6.823  -9.936
  657    HG   LEU  87           HG       LEU  87  10.911   6.627  -7.408
  658   HD11  LEU  87          1HD1      LEU  87  13.234   7.106  -6.821
  659   HD12  LEU  87          2HD1      LEU  87  13.717   6.907  -8.507
  660   HD13  LEU  87          3HD1      LEU  87  13.081   5.534  -7.599
  661   HD21  LEU  87          3HD2      LEU  87  11.699   8.952  -7.338
  662   HD22  LEU  87          1HD2      LEU  87  10.380   8.748  -8.490
  663   HD23  LEU  87          2HD2      LEU  87  12.041   8.897  -9.070
  664    H    LYS  88           H        LYS  88  11.571   3.951  -7.228
  665    HA   LYS  88           HA       LYS  88  13.990   2.708  -8.159
  666    HB2  LYS  88           2HB      LYS  88  14.431   2.151  -5.821
  667    HB3  LYS  88           3HB      LYS  88  13.945   3.822  -6.001
  668    HG2  LYS  88           2HG      LYS  88  12.851   3.249  -4.060
  669    HG3  LYS  88           3HG      LYS  88  11.587   2.993  -5.263
  670    HD2  LYS  88           2HD      LYS  88  12.056   0.563  -5.234
  671    HD3  LYS  88           3HD      LYS  88  13.338   0.826  -4.044
  672    HE2  LYS  88           2HE      LYS  88  11.670   1.697  -2.446
  673    HE3  LYS  88           3HE      LYS  88  10.387   1.430  -3.630
  674    HZ1  LYS  88           3HZ      LYS  88  10.563  -0.347  -1.985
  675    HZ2  LYS  88           1HZ      LYS  88  12.121  -0.696  -2.526
  676    HZ3  LYS  88           2HZ      LYS  88  10.799  -0.907  -3.556
  677    H    ALA  89           H        ALA  89  10.751   1.498  -7.218
  678    HA   ALA  89           HA       ALA  89  11.281  -1.225  -7.277
  679    HB1  ALA  89           3HB      ALA  89   9.220  -0.257  -6.362
  680    HB2  ALA  89           1HB      ALA  89   8.860  -1.531  -7.529
  681    HB3  ALA  89           2HB      ALA  89   8.689   0.167  -7.986
  682    H    GLU  90           H        GLU  90  10.455   0.959  -9.954
  683    HA   GLU  90           HA       GLU  90  10.247  -0.889 -12.042
  684    HB2  GLU  90           2HB      GLU  90  11.365   1.941 -12.085
  685    HB3  GLU  90           3HB      GLU  90  10.971   1.009 -13.532
  686    HG2  GLU  90           2HG      GLU  90   8.628   0.892 -12.841
  687    HG3  GLU  90           3HG      GLU  90   8.998   1.773 -11.366
  688    H    GLY  91           H        GLY  91  13.035   0.200 -10.297
  689    HA2  GLY  91           2HA      GLY  91  15.046  -0.839 -12.105
  690    HA3  GLY  91           3HA      GLY  91  15.299  -0.172 -10.502
  691    H    LEU  92           H        LEU  92  13.217  -2.087  -9.363
  692    HA   LEU  92           HA       LEU  92  14.880  -4.139  -8.433
  693    HB2  LEU  92           2HB      LEU  92  11.839  -4.069  -8.583
  694    HB3  LEU  92           3HB      LEU  92  12.733  -5.325  -7.738
  695    HG   LEU  92           HG       LEU  92  12.796  -2.366  -7.018
  696   HD11  LEU  92          1HD1      LEU  92  11.463  -2.979  -5.043
  697   HD12  LEU  92          2HD1      LEU  92  11.331  -4.636  -5.637
  698   HD13  LEU  92          3HD1      LEU  92  10.595  -3.310  -6.541
  699   HD21  LEU  92          3HD2      LEU  92  14.882  -3.499  -6.405
  700   HD22  LEU  92          1HD2      LEU  92  13.974  -4.751  -5.551
  701   HD23  LEU  92          2HD2      LEU  92  13.954  -3.083  -4.967
  702    H    GLU  93           H        GLU  93  12.474  -4.218 -11.050
  703    HA   GLU  93           HA       GLU  93  14.065  -6.305 -12.371
  704    HB2  GLU  93           2HB      GLU  93  11.964  -7.421 -13.182
  705    HB3  GLU  93           3HB      GLU  93  12.290  -7.622 -11.466
  706    HG2  GLU  93           2HG      GLU  93  10.581  -5.922 -10.931
  707    HG3  GLU  93           3HG      GLU  93  10.271  -5.682 -12.653
  708    H    HIS  94           H        HIS  94  14.783  -4.111 -13.135
  709    HA   HIS  94           HA       HIS  94  13.184  -2.886 -15.216
  710    HB2  HIS  94           2HB      HIS  94  14.824  -1.523 -13.903
  711    HB3  HIS  94           3HB      HIS  94  16.144  -2.453 -14.606
  712    HD1  HIS  94           HD1      HIS  94  16.892  -1.841 -16.957
  713    HD2  HIS  94           HD2      HIS  94  13.462   0.188 -15.781
  714    HE1  HIS  94           HE1      HIS  94  16.489  -0.120 -18.738
  715    HE2  HIS  94           HE2      HIS  94  14.509   1.196 -17.915
  716    H    HIS  95           H        HIS  95  12.761  -4.814 -16.376
  717    HA   HIS  95           HA       HIS  95  14.930  -5.844 -18.085
  718    HB2  HIS  95           2HB      HIS  95  13.460  -7.540 -17.024
  719    HB3  HIS  95           3HB      HIS  95  12.041  -6.785 -17.743
  720    HD1  HIS  95           HD1      HIS  95  11.333  -7.747 -19.949
  721    HD2  HIS  95           HD2      HIS  95  15.308  -8.565 -19.091
  722    HE1  HIS  95           HE1      HIS  95  12.143  -9.186 -21.832
  723    HE2  HIS  95           HE2      HIS  95  14.605  -9.458 -21.405
  724    H    HIS  96           H        HIS  96  15.264  -4.609 -19.856
  725    HA   HIS  96           HA       HIS  96  13.259  -2.870 -20.955
  726    HB2  HIS  96           2HB      HIS  96  14.901  -2.198 -22.579
  727    HB3  HIS  96           3HB      HIS  96  15.770  -2.442 -21.072
  728    HD1  HIS  96           HD1      HIS  96  15.504  -3.676 -24.555
  729    HD2  HIS  96           HD2      HIS  96  17.554  -4.703 -21.091
  730    HE1  HIS  96           HE1      HIS  96  17.291  -5.268 -25.289
  731    HE2  HIS  96           HE2      HIS  96  18.649  -5.696 -23.212
  732    H    HIS  97           H        HIS  97  12.035  -3.112 -22.798
  733    HA   HIS  97           HA       HIS  97  11.499  -5.732 -23.857
  734    HB2  HIS  97           2HB      HIS  97  10.568  -2.956 -24.742
  735    HB3  HIS  97           3HB      HIS  97  10.033  -4.449 -25.509
  736    HD1  HIS  97           HD1      HIS  97   8.515  -6.048 -24.060
  737    HD2  HIS  97           HD2      HIS  97   9.246  -2.320 -22.376
  738    HE1  HIS  97           HE1      HIS  97   6.806  -5.786 -22.240
  739    HE2  HIS  97           HE2      HIS  97   7.404  -3.613 -21.113
  740    H    HIS  98           H        HIS  98  11.757  -6.340 -26.117
  741    HA   HIS  98           HA       HIS  98  14.245  -5.644 -27.331
  742    HB2  HIS  98           2HB      HIS  98  13.102  -7.862 -27.658
  743    HB3  HIS  98           3HB      HIS  98  11.874  -7.056 -28.629
  744    HD1  HIS  98           HD1      HIS  98  12.584  -6.248 -31.015
  745    HD2  HIS  98           HD2      HIS  98  15.589  -8.223 -28.942
  746    HE1  HIS  98           HE1      HIS  98  14.400  -6.659 -32.694
  747    HE2  HIS  98           HE2      HIS  98  16.267  -7.708 -31.370
  748    H    HIS  99           H        HIS  99  10.980  -4.446 -27.564
  749    HA   HIS  99           HA       HIS  99  11.387  -2.727 -29.852
  750    HB2  HIS  99           2HB      HIS  99   9.137  -3.575 -29.303
  751    HB3  HIS  99           3HB      HIS  99   9.193  -2.788 -27.732
  752    HD1  HIS  99           HD1      HIS  99   7.763  -0.781 -27.726
  753    HD2  HIS  99           HD2      HIS  99   9.568  -1.311 -31.423
  754    HE1  HIS  99           HE1      HIS  99   6.941   1.108 -29.144
  755    HE2  HIS  99           HE2      HIS  99   8.183   0.866 -31.324
  Start of MODEL   13
    1    H1   GLU   1           1H       GLU   1 -12.938  -0.177  16.985
    2    H2   GLU   1           2H       GLU   1 -12.277   0.319  18.444
    3    H3   GLU   1           3H       GLU   1 -13.348  -0.983  18.405
    4    HA   GLU   1           HA       GLU   1 -10.644  -0.873  17.223
    5    HB2  GLU   1           2HB      GLU   1 -11.738  -2.598  19.494
    6    HB3  GLU   1           3HB      GLU   1 -10.071  -2.558  18.919
    7    HG2  GLU   1           2HG      GLU   1  -9.872  -0.202  19.674
    8    HG3  GLU   1           3HG      GLU   1 -11.528  -0.260  20.278
    9    H    ASP   2           H        ASP   2 -13.303  -1.472  15.929
   10    HA   ASP   2           HA       ASP   2 -13.551  -4.269  15.465
   11    HB2  ASP   2           2HB      ASP   2 -14.517  -2.004  13.658
   12    HB3  ASP   2           3HB      ASP   2 -15.115  -3.658  13.682
   13    HA   PRO   3           HA       PRO   3 -10.234  -4.535  12.308
   14    HB2  PRO   3           2HB      PRO   3 -10.644  -7.112  11.503
   15    HB3  PRO   3           3HB      PRO   3  -9.886  -6.726  13.058
   16    HG2  PRO   3           2HG      PRO   3 -12.760  -7.445  12.475
   17    HG3  PRO   3           3HG      PRO   3 -11.690  -8.073  13.750
   18    HD2  PRO   3           2HD      PRO   3 -13.534  -6.122  14.220
   19    HD3  PRO   3           3HD      PRO   3 -11.992  -6.187  15.100
   20    H    GLU   4           H        GLU   4 -13.553  -4.367  11.887
   21    HA   GLU   4           HA       GLU   4 -13.678  -4.502   9.013
   22    HB2  GLU   4           2HB      GLU   4 -15.592  -3.337  11.081
   23    HB3  GLU   4           3HB      GLU   4 -15.968  -3.525   9.367
   24    HG2  GLU   4           2HG      GLU   4 -15.723  -5.973   9.575
   25    HG3  GLU   4           3HG      GLU   4 -15.312  -5.793  11.282
   26    H    ASP   5           H        ASP   5 -13.004  -2.043  11.426
   27    HA   ASP   5           HA       ASP   5 -13.332   0.249   9.731
   28    HB2  ASP   5           2HB      ASP   5 -12.172  -0.178  12.500
   29    HB3  ASP   5           3HB      ASP   5 -11.955   1.367  11.690
   30    HA   PRO   6           HA       PRO   6  -9.793   0.336   7.178
   31    HB2  PRO   6           2HB      PRO   6  -9.448   3.230   7.958
   32    HB3  PRO   6           3HB      PRO   6  -9.526   2.506   6.344
   33    HG2  PRO   6           2HG      PRO   6 -11.630   3.793   7.347
   34    HG3  PRO   6           3HG      PRO   6 -11.860   2.296   6.415
   35    HD2  PRO   6           2HD      PRO   6 -11.995   2.726   9.386
   36    HD3  PRO   6           3HD      PRO   6 -12.966   1.652   8.356
   37    H    PHE   7           H        PHE   7  -8.938   2.546   9.843
   38    HA   PHE   7           HA       PHE   7  -6.147   2.167   9.625
   39    HB2  PHE   7           2HB      PHE   7  -6.999   4.229  10.573
   40    HB3  PHE   7           3HB      PHE   7  -7.830   3.363  11.856
   41    HD1  PHE   7           HD2      PHE   7  -4.361   3.921  10.523
   42    HD2  PHE   7           HD1      PHE   7  -6.791   3.251  13.973
   43    HE1  PHE   7           HE2      PHE   7  -2.399   4.203  11.968
   44    HE2  PHE   7           HE1      PHE   7  -4.819   3.530  15.414
   45    HZ   PHE   7           HZ       PHE   7  -2.618   4.007  14.411
   46    H    THR   8           H        THR   8  -8.590   0.650  11.666
   47    HA   THR   8           HA       THR   8  -6.899  -0.623  13.526
   48    HB   THR   8           HB       THR   8  -9.647  -1.596  12.613
   49    HG1  THR   8           HG1      THR   8  -9.080   0.264  14.685
   50   HG21  THR   8          3HG2      THR   8  -8.457  -3.161  14.125
   51   HG22  THR   8          1HG2      THR   8  -9.852  -2.431  14.925
   52   HG23  THR   8          2HG2      THR   8  -8.226  -1.855  15.289
   53    H    ARG   9           H        ARG   9  -8.439  -1.819  10.524
   54    HA   ARG   9           HA       ARG   9  -7.209  -4.423  10.614
   55    HB2  ARG   9           2HB      ARG   9  -8.359  -4.925   8.600
   56    HB3  ARG   9           3HB      ARG   9  -9.447  -3.950   9.572
   57    HG2  ARG   9           2HG      ARG   9  -8.491  -1.968   8.098
   58    HG3  ARG   9           3HG      ARG   9  -8.069  -3.274   6.991
   59    HD2  ARG   9           2HD      ARG   9 -10.526  -4.020   7.281
   60    HD3  ARG   9           3HD      ARG   9 -10.806  -2.424   7.950
   61    HE   ARG   9           HE       ARG   9  -9.693  -2.851   5.244
   62   HH11  ARG   9          1HH1      ARG   9 -11.968  -1.161   7.331
   63   HH12  ARG   9          2HH1      ARG   9 -12.686  -0.292   6.015
   64   HH21  ARG   9          1HH2      ARG   9 -10.678  -1.694   3.566
   65   HH22  ARG   9          2HH2      ARG   9 -11.935  -0.562   3.924
   66    H    TYR  10           H        TYR  10  -6.379  -1.364   9.200
   67    HA   TYR  10           HA       TYR  10  -4.294  -2.138   7.453
   68    HB2  TYR  10           2HB      TYR  10  -5.092   0.112   7.281
   69    HB3  TYR  10           3HB      TYR  10  -4.884   0.410   8.999
   70    HD1  TYR  10           HD2      TYR  10  -2.851  -0.362   5.922
   71    HD2  TYR  10           HD1      TYR  10  -2.989   1.609   9.712
   72    HE1  TYR  10           HE2      TYR  10  -0.642   0.629   5.492
   73    HE2  TYR  10           HE1      TYR  10  -0.783   2.590   9.284
   74    HH   TYR  10           HH       TYR  10   1.200   2.116   7.925
   75    H    ALA  11           H        ALA  11  -4.230  -1.088  10.851
   76    HA   ALA  11           HA       ALA  11  -1.477  -1.545  11.353
   77    HB1  ALA  11           3HB      ALA  11  -2.859  -0.053  12.759
   78    HB2  ALA  11           1HB      ALA  11  -2.081  -1.299  13.737
   79    HB3  ALA  11           2HB      ALA  11  -3.794  -1.439  13.325
   80    H    LEU  12           H        LEU  12  -4.362  -3.530  11.619
   81    HA   LEU  12           HA       LEU  12  -3.295  -5.836  12.872
   82    HB2  LEU  12           2HB      LEU  12  -5.713  -5.415  12.716
   83    HB3  LEU  12           3HB      LEU  12  -5.640  -5.481  10.967
   84    HG   LEU  12           HG       LEU  12  -5.064  -7.920  11.109
   85   HD11  LEU  12          1HD1      LEU  12  -5.612  -7.627  14.075
   86   HD12  LEU  12          2HD1      LEU  12  -4.050  -7.986  13.333
   87   HD13  LEU  12          3HD1      LEU  12  -5.371  -9.142  13.201
   88   HD21  LEU  12          3HD2      LEU  12  -7.334  -8.688  11.665
   89   HD22  LEU  12          1HD2      LEU  12  -7.381  -7.207  10.710
   90   HD23  LEU  12          2HD2      LEU  12  -7.681  -7.146  12.448
   91    H    ALA  13           H        ALA  13  -3.551  -4.824   9.491
   92    HA   ALA  13           HA       ALA  13  -2.604  -7.193   8.251
   93    HB1  ALA  13           3HB      ALA  13  -3.832  -5.459   7.010
   94    HB2  ALA  13           1HB      ALA  13  -2.278  -5.798   6.248
   95    HB3  ALA  13           2HB      ALA  13  -2.489  -4.339   7.219
   96    H    GLN  14           H        GLN  14  -0.969  -4.257   9.404
   97    HA   GLN  14           HA       GLN  14   1.665  -4.936   8.661
   98    HB2  GLN  14           2HB      GLN  14   0.726  -3.247  11.013
   99    HB3  GLN  14           3HB      GLN  14   2.366  -3.270  10.363
  100    HG2  GLN  14           2HG      GLN  14   1.492  -2.401   8.203
  101    HG3  GLN  14           3HG      GLN  14  -0.120  -2.319   8.917
  102   HE21  GLN  14          1HE2      GLN  14   3.110  -0.972   8.981
  103   HE22  GLN  14          2HE2      GLN  14   2.707   0.474   9.829
  104    H    GLU  15           H        GLU  15  -0.209  -5.660  11.614
  105    HA   GLU  15           HA       GLU  15   1.740  -7.066  13.086
  106    HB2  GLU  15           2HB      GLU  15  -1.284  -7.485  13.009
  107    HB3  GLU  15           3HB      GLU  15  -0.220  -8.219  14.202
  108    HG2  GLU  15           2HG      GLU  15  -0.590  -5.228  13.846
  109    HG3  GLU  15           3HG      GLU  15  -1.470  -6.213  15.012
  110    H    HIS  16           H        HIS  16  -0.576  -8.196  10.619
  111    HA   HIS  16           HA       HIS  16   0.141 -10.914  10.609
  112    HB2  HIS  16           2HB      HIS  16  -1.163  -9.167   8.497
  113    HB3  HIS  16           3HB      HIS  16  -0.775 -10.849   8.163
  114    HD1  HIS  16           HD1      HIS  16  -1.939 -12.643   9.843
  115    HD2  HIS  16           HD2      HIS  16  -3.567  -8.823   9.825
  116    HE1  HIS  16           HE1      HIS  16  -4.212 -12.876  10.872
  117    HE2  HIS  16           HE2      HIS  16  -5.135 -10.541  10.924
  118    H    LEU  17           H        LEU  17   1.544  -8.174   8.770
  119    HA   LEU  17           HA       LEU  17   3.394  -9.642   7.227
  120    HB2  LEU  17           2HB      LEU  17   3.538  -6.794   8.282
  121    HB3  LEU  17           3HB      LEU  17   4.716  -7.463   7.162
  122    HG   LEU  17           HG       LEU  17   1.745  -7.166   6.560
  123   HD11  LEU  17          1HD1      LEU  17   2.812  -4.969   6.753
  124   HD12  LEU  17          2HD1      LEU  17   2.373  -5.314   5.083
  125   HD13  LEU  17          3HD1      LEU  17   4.057  -5.452   5.598
  126   HD21  LEU  17          3HD2      LEU  17   4.047  -7.966   4.743
  127   HD22  LEU  17          1HD2      LEU  17   2.377  -7.690   4.235
  128   HD23  LEU  17          2HD2      LEU  17   2.755  -9.022   5.324
  129    H    LYS  18           H        LYS  18   3.580  -8.371  10.525
  130    HA   LYS  18           HA       LYS  18   6.299  -9.055  11.054
  131    HB2  LYS  18           2HB      LYS  18   3.982  -8.575  12.974
  132    HB3  LYS  18           3HB      LYS  18   5.674  -8.686  13.454
  133    HG2  LYS  18           2HG      LYS  18   6.177  -6.684  12.068
  134    HG3  LYS  18           3HG      LYS  18   4.469  -6.565  11.644
  135    HD2  LYS  18           2HD      LYS  18   5.042  -4.976  13.441
  136    HD3  LYS  18           3HD      LYS  18   3.893  -6.185  14.022
  137    HE2  LYS  18           2HE      LYS  18   5.675  -5.718  15.681
  138    HE3  LYS  18           3HE      LYS  18   5.709  -7.398  15.148
  139    HZ1  LYS  18           3HZ      LYS  18   7.497  -5.236  14.164
  140    HZ2  LYS  18           1HZ      LYS  18   7.528  -6.849  13.653
  141    HZ3  LYS  18           2HZ      LYS  18   7.916  -6.464  15.248
  142    H    HIS  19           H        HIS  19   3.242 -10.764  11.377
  143    HA   HIS  19           HA       HIS  19   4.440 -13.116  12.661
  144    HB2  HIS  19           2HB      HIS  19   1.574 -12.450  11.876
  145    HB3  HIS  19           3HB      HIS  19   2.051 -13.983  12.599
  146    HD1  HIS  19           HD1      HIS  19   0.835 -13.759  14.801
  147    HD2  HIS  19           HD2      HIS  19   3.250 -10.480  13.989
  148    HE1  HIS  19           HE1      HIS  19   0.799 -12.357  16.883
  149    HE2  HIS  19           HE2      HIS  19   2.199 -10.340  16.335
  150    H    ASP  20           H        ASP  20   4.746 -12.121   9.672
  151    HA   ASP  20           HA       ASP  20   5.444 -13.083   7.762
  152    HB2  ASP  20           2HB      ASP  20   6.584 -14.719   9.218
  153    HB3  ASP  20           3HB      ASP  20   5.129 -15.700   9.277
  154    H    ASN  21           H        ASN  21   2.428 -13.151   8.766
  155    HA   ASN  21           HA       ASN  21   1.096 -14.762   6.758
  156    HB2  ASN  21           2HB      ASN  21  -0.082 -12.729   8.709
  157    HB3  ASN  21           3HB      ASN  21  -0.971 -13.959   7.825
  158   HD21  ASN  21          1HD2      ASN  21   0.825 -16.150   8.285
  159   HD22  ASN  21          2HD2      ASN  21   0.709 -16.544   9.959
  160    H    ALA  22           H        ALA  22   2.517 -13.409   5.177
  161    HA   ALA  22           HA       ALA  22   1.921 -10.731   4.521
  162    HB1  ALA  22           3HB      ALA  22   3.998 -11.857   3.855
  163    HB2  ALA  22           1HB      ALA  22   3.156 -11.231   2.440
  164    HB3  ALA  22           2HB      ALA  22   3.093 -12.955   2.810
  165    H    SER  23           H        SER  23   0.715 -13.822   3.259
  166    HA   SER  23           HA       SER  23  -0.976 -12.932   1.224
  167    HB2  SER  23           2HB      SER  23  -2.106 -15.162   1.516
  168    HB3  SER  23           3HB      SER  23  -0.348 -15.276   1.452
  169    HG   SER  23           HG       SER  23  -1.335 -16.524   3.160
  170    H    ARG  24           H        ARG  24  -1.650 -13.288   4.737
  171    HA   ARG  24           HA       ARG  24  -4.459 -12.728   4.543
  172    HB2  ARG  24           2HB      ARG  24  -2.569 -12.694   6.951
  173    HB3  ARG  24           3HB      ARG  24  -4.327 -12.640   7.044
  174    HG2  ARG  24           2HG      ARG  24  -2.657 -14.956   5.997
  175    HG3  ARG  24           3HG      ARG  24  -3.513 -14.887   7.542
  176    HD2  ARG  24           2HD      ARG  24  -5.659 -14.749   6.369
  177    HD3  ARG  24           3HD      ARG  24  -4.833 -14.763   4.806
  178    HE   ARG  24           HE       ARG  24  -4.266 -17.045   6.499
  179   HH11  ARG  24          1HH1      ARG  24  -6.405 -15.804   3.996
  180   HH12  ARG  24          2HH1      ARG  24  -6.924 -17.381   3.498
  181   HH21  ARG  24          1HH2      ARG  24  -4.970 -19.103   5.840
  182   HH22  ARG  24          2HH2      ARG  24  -6.123 -19.246   4.550
  183    H    ALA  25           H        ALA  25  -1.550 -10.911   5.360
  184    HA   ALA  25           HA       ALA  25  -2.653  -8.409   6.035
  185    HB1  ALA  25           3HB      ALA  25   0.016  -9.029   4.714
  186    HB2  ALA  25           1HB      ALA  25  -0.297  -9.011   6.451
  187    HB3  ALA  25           2HB      ALA  25  -0.410  -7.518   5.522
  188    H    LEU  26           H        LEU  26  -1.900  -9.942   2.989
  189    HA   LEU  26           HA       LEU  26  -1.909  -7.736   1.229
  190    HB2  LEU  26           2HB      LEU  26  -0.971 -10.017   0.729
  191    HB3  LEU  26           3HB      LEU  26  -2.606 -10.639   0.633
  192    HG   LEU  26           HG       LEU  26  -3.025  -9.115  -1.325
  193   HD11  LEU  26          1HD1      LEU  26  -1.153  -8.071  -2.485
  194   HD12  LEU  26          2HD1      LEU  26  -0.049  -8.560  -1.199
  195   HD13  LEU  26          3HD1      LEU  26  -1.336  -7.399  -0.867
  196   HD21  LEU  26          3HD2      LEU  26  -1.781 -10.463  -2.951
  197   HD22  LEU  26          1HD2      LEU  26  -2.433 -11.479  -1.665
  198   HD23  LEU  26          2HD2      LEU  26  -0.717 -11.055  -1.675
  199    H    ALA  27           H        ALA  27  -4.384 -10.152   1.974
  200    HA   ALA  27           HA       ALA  27  -6.547  -9.167   0.535
  201    HB1  ALA  27           3HB      ALA  27  -7.949 -10.510   2.043
  202    HB2  ALA  27           1HB      ALA  27  -6.603 -10.653   3.181
  203    HB3  ALA  27           2HB      ALA  27  -6.492 -11.390   1.581
  204    H    LEU  28           H        LEU  28  -5.575  -8.358   3.905
  205    HA   LEU  28           HA       LEU  28  -7.740  -6.623   4.473
  206    HB2  LEU  28           2HB      LEU  28  -4.948  -6.701   5.656
  207    HB3  LEU  28           3HB      LEU  28  -6.245  -5.700   6.291
  208    HG   LEU  28           HG       LEU  28  -6.226  -8.745   6.214
  209   HD11  LEU  28          1HD1      LEU  28  -4.694  -7.838   7.889
  210   HD12  LEU  28          2HD1      LEU  28  -6.079  -8.604   8.660
  211   HD13  LEU  28          3HD1      LEU  28  -5.987  -6.843   8.567
  212   HD21  LEU  28          3HD2      LEU  28  -8.345  -6.875   7.340
  213   HD22  LEU  28          1HD2      LEU  28  -8.323  -8.633   7.511
  214   HD23  LEU  28          2HD2      LEU  28  -8.515  -7.907   5.919
  215    H    PHE  29           H        PHE  29  -4.538  -5.934   3.044
  216    HA   PHE  29           HA       PHE  29  -4.835  -3.099   2.966
  217    HB2  PHE  29           2HB      PHE  29  -3.023  -4.975   1.408
  218    HB3  PHE  29           3HB      PHE  29  -2.975  -3.232   1.203
  219    HD1  PHE  29           HD2      PHE  29  -3.024  -2.117   3.865
  220    HD2  PHE  29           HD1      PHE  29  -1.078  -5.670   2.503
  221    HE1  PHE  29           HE2      PHE  29  -1.375  -1.920   5.680
  222    HE2  PHE  29           HE1      PHE  29   0.573  -5.461   4.318
  223    HZ   PHE  29           HZ       PHE  29   0.422  -3.589   5.911
  224    H    GLU  30           H        GLU  30  -5.443  -5.661   0.555
  225    HA   GLU  30           HA       GLU  30  -6.392  -4.046  -1.542
  226    HB2  GLU  30           2HB      GLU  30  -7.115  -6.912  -0.835
  227    HB3  GLU  30           3HB      GLU  30  -7.540  -6.126  -2.351
  228    HG2  GLU  30           2HG      GLU  30  -5.122  -5.838  -2.862
  229    HG3  GLU  30           3HG      GLU  30  -4.729  -6.689  -1.367
  230    H    GLU  31           H        GLU  31  -8.007  -5.337   1.332
  231    HA   GLU  31           HA       GLU  31 -10.700  -4.741   0.696
  232    HB2  GLU  31           2HB      GLU  31  -9.980  -6.254   2.569
  233    HB3  GLU  31           3HB      GLU  31  -9.324  -4.870   3.429
  234    HG2  GLU  31           2HG      GLU  31 -11.436  -5.442   4.416
  235    HG3  GLU  31           3HG      GLU  31 -11.629  -3.910   3.563
  236    H    LEU  32           H        LEU  32  -8.101  -2.974   2.282
  237    HA   LEU  32           HA       LEU  32  -9.405  -0.622   3.034
  238    HB2  LEU  32           2HB      LEU  32  -6.527  -1.138   2.253
  239    HB3  LEU  32           3HB      LEU  32  -7.068   0.418   2.852
  240    HG   LEU  32           HG       LEU  32  -7.304  -2.154   4.459
  241   HD11  LEU  32          1HD1      LEU  32  -5.339  -1.452   5.718
  242   HD12  LEU  32          2HD1      LEU  32  -5.140  -0.040   4.678
  243   HD13  LEU  32          3HD1      LEU  32  -4.922  -1.661   4.018
  244   HD21  LEU  32          3HD2      LEU  32  -8.872  -0.396   5.116
  245   HD22  LEU  32          1HD2      LEU  32  -7.542   0.758   5.273
  246   HD23  LEU  32          2HD2      LEU  32  -7.640  -0.641   6.348
  247    H    VAL  33           H        VAL  33  -7.678  -1.410  -0.008
  248    HA   VAL  33           HA       VAL  33  -7.984   1.058  -1.297
  249    HB   VAL  33           HB       VAL  33  -7.793  -1.724  -2.540
  250   HG11  VAL  33          1HG1      VAL  33  -7.300   0.979  -3.860
  251   HG12  VAL  33          2HG1      VAL  33  -8.617  -0.136  -4.221
  252   HG13  VAL  33          3HG1      VAL  33  -6.955  -0.595  -4.589
  253   HG21  VAL  33          3HG2      VAL  33  -5.375  -1.233  -2.758
  254   HG22  VAL  33          1HG2      VAL  33  -5.896  -1.216  -1.072
  255   HG23  VAL  33          2HG2      VAL  33  -5.612   0.304  -1.923
  256    H    GLU  34           H        GLU  34  -9.984  -1.892  -1.723
  257    HA   GLU  34           HA       GLU  34 -11.695  -0.828  -3.647
  258    HB2  GLU  34           2HB      GLU  34 -13.137  -2.793  -3.236
  259    HB3  GLU  34           3HB      GLU  34 -11.437  -3.207  -3.383
  260    HG2  GLU  34           2HG      GLU  34 -11.318  -3.295  -0.858
  261    HG3  GLU  34           3HG      GLU  34 -13.071  -3.106  -0.831
  262    H    THR  35           H        THR  35 -12.118  -0.831  -0.096
  263    HA   THR  35           HA       THR  35 -14.805   0.347  -0.342
  264    HB   THR  35           HB       THR  35 -14.936   0.061   2.119
  265    HG1  THR  35           HG1      THR  35 -12.603   0.338   2.433
  266   HG21  THR  35          3HG2      THR  35 -13.902  -2.448   0.757
  267   HG22  THR  35          1HG2      THR  35 -15.558  -1.856   0.662
  268   HG23  THR  35          2HG2      THR  35 -14.903  -2.393   2.211
  269    H    ASP  36           H        ASP  36 -11.517   1.272   0.509
  270    HA   ASP  36           HA       ASP  36 -12.350   4.047   1.154
  271    HB2  ASP  36           2HB      ASP  36 -10.234   2.462   2.696
  272    HB3  ASP  36           3HB      ASP  36 -10.654   4.149   2.977
  273    HA   PRO  37           HA       PRO  37  -9.039   3.568  -2.160
  274    HB2  PRO  37           2HB      PRO  37 -10.140   5.176  -4.077
  275    HB3  PRO  37           3HB      PRO  37 -10.653   3.501  -3.843
  276    HG2  PRO  37           2HG      PRO  37 -11.935   6.037  -2.833
  277    HG3  PRO  37           3HG      PRO  37 -12.698   4.634  -3.616
  278    HD2  PRO  37           2HD      PRO  37 -12.706   4.985  -0.914
  279    HD3  PRO  37           3HD      PRO  37 -12.674   3.370  -1.658
  280    H    ASP  38           H        ASP  38  -9.958   6.030  -0.123
  281    HA   ASP  38           HA       ASP  38  -8.155   8.091  -1.232
  282    HB2  ASP  38           2HB      ASP  38 -10.220   8.224   1.005
  283    HB3  ASP  38           3HB      ASP  38  -9.212   9.582   0.509
  284    H    TYR  39           H        TYR  39  -8.318   5.653   1.205
  285    HA   TYR  39           HA       TYR  39  -6.557   6.799   3.124
  286    HB2  TYR  39           2HB      TYR  39  -8.237   4.927   3.545
  287    HB3  TYR  39           3HB      TYR  39  -7.135   3.829   2.718
  288    HD1  TYR  39           HD1      TYR  39  -6.215   6.580   5.110
  289    HD2  TYR  39           HD2      TYR  39  -6.555   2.359   4.524
  290    HE1  TYR  39           HE1      TYR  39  -5.087   6.190   7.248
  291    HE2  TYR  39           HE2      TYR  39  -5.416   1.980   6.664
  292    HH   TYR  39           HH       TYR  39  -4.925   4.460   8.945
  293    H    VAL  40           H        VAL  40  -4.612   7.412   2.518
  294    HA   VAL  40           HA       VAL  40  -3.191   6.400   0.266
  295    HB   VAL  40           HB       VAL  40  -2.078   8.256   2.413
  296   HG11  VAL  40          1HG1      VAL  40  -1.360   7.914  -0.522
  297   HG12  VAL  40          2HG1      VAL  40  -0.390   7.415   0.867
  298   HG13  VAL  40          3HG1      VAL  40  -0.678   9.127   0.566
  299   HG21  VAL  40          3HG2      VAL  40  -2.906  10.159   1.070
  300   HG22  VAL  40          1HG2      VAL  40  -4.237   9.150   1.645
  301   HG23  VAL  40          2HG2      VAL  40  -3.708   9.040  -0.035
  302    H    GLY  41           H        GLY  41  -2.890   5.911   3.742
  303    HA2  GLY  41           2HA      GLY  41  -0.245   4.978   3.953
  304    HA3  GLY  41           3HA      GLY  41  -1.547   4.617   5.078
  305    H    THR  42           H        THR  42  -3.196   3.337   3.075
  306    HA   THR  42           HA       THR  42  -2.504   0.658   3.108
  307    HB   THR  42           HB       THR  42  -4.179   2.153   1.044
  308    HG1  THR  42           HG1      THR  42  -5.802   2.002   2.450
  309   HG21  THR  42          3HG2      THR  42  -4.182  -0.791   1.819
  310   HG22  THR  42          1HG2      THR  42  -3.646  -0.118   0.276
  311   HG23  THR  42          2HG2      THR  42  -5.344  -0.017   0.740
  312    H    TYR  43           H        TYR  43  -2.154   3.012   0.469
  313    HA   TYR  43           HA       TYR  43  -1.523   1.164  -1.524
  314    HB2  TYR  43           2HB      TYR  43  -1.167   4.174  -1.389
  315    HB3  TYR  43           3HB      TYR  43  -0.853   3.242  -2.853
  316    HD1  TYR  43           HD2      TYR  43  -2.787   1.718  -3.702
  317    HD2  TYR  43           HD1      TYR  43  -3.409   4.959  -0.987
  318    HE1  TYR  43           HE2      TYR  43  -5.156   1.771  -4.305
  319    HE2  TYR  43           HE1      TYR  43  -5.790   4.999  -1.602
  320    HH   TYR  43           HH       TYR  43  -7.185   4.314  -3.527
  321    H    TYR  44           H        TYR  44   0.680   3.265   0.370
  322    HA   TYR  44           HA       TYR  44   3.082   2.509  -0.726
  323    HB2  TYR  44           2HB      TYR  44   2.709   4.267   1.056
  324    HB3  TYR  44           3HB      TYR  44   2.568   2.978   2.247
  325    HD1  TYR  44           HD2      TYR  44   4.925   4.410  -0.293
  326    HD2  TYR  44           HD1      TYR  44   4.552   2.133   3.302
  327    HE1  TYR  44           HE2      TYR  44   7.372   4.410  -0.031
  328    HE2  TYR  44           HE1      TYR  44   6.999   2.132   3.557
  329    HH   TYR  44           HH       TYR  44   9.021   4.190   1.804
  330    H    HIS  45           H        HIS  45   1.639   1.014   2.185
  331    HA   HIS  45           HA       HIS  45   3.573  -1.040   2.427
  332    HB2  HIS  45           2HB      HIS  45   0.795  -0.802   3.660
  333    HB3  HIS  45           3HB      HIS  45   1.966  -2.042   4.108
  334    HD1  HIS  45           HD1      HIS  45   3.387  -1.456   6.034
  335    HD2  HIS  45           HD2      HIS  45   1.989   1.925   4.088
  336    HE1  HIS  45           HE1      HIS  45   4.211   0.486   7.394
  337    HE2  HIS  45           HE2      HIS  45   3.442   2.524   6.130
  338    H    LEU  46           H        LEU  46   0.520  -0.988   0.712
  339    HA   LEU  46           HA       LEU  46   0.287  -3.811   0.274
  340    HB2  LEU  46           2HB      LEU  46  -1.703  -2.398   0.178
  341    HB3  LEU  46           3HB      LEU  46  -1.013  -1.446  -1.124
  342    HG   LEU  46           HG       LEU  46  -1.173  -3.380  -2.662
  343   HD11  LEU  46          1HD1      LEU  46  -2.320  -5.440  -2.070
  344   HD12  LEU  46          2HD1      LEU  46  -2.508  -4.900  -0.405
  345   HD13  LEU  46          3HD1      LEU  46  -0.899  -5.220  -1.053
  346   HD21  LEU  46          3HD2      LEU  46  -3.609  -3.459  -2.903
  347   HD22  LEU  46          1HD2      LEU  46  -3.053  -1.822  -2.558
  348   HD23  LEU  46          2HD2      LEU  46  -3.805  -2.783  -1.282
  349    H    GLY  47           H        GLY  47   1.592  -1.066  -1.579
  350    HA2  GLY  47           2HA      GLY  47   2.302  -2.504  -3.937
  351    HA3  GLY  47           3HA      GLY  47   2.924  -0.941  -3.431
  352    H    LYS  48           H        LYS  48   4.070  -1.601  -0.989
  353    HA   LYS  48           HA       LYS  48   6.620  -2.597  -1.628
  354    HB2  LYS  48           2HB      LYS  48   5.292  -2.441   1.120
  355    HB3  LYS  48           3HB      LYS  48   7.011  -2.694   0.844
  356    HG2  LYS  48           2HG      LYS  48   5.433  -0.187   0.202
  357    HG3  LYS  48           3HG      LYS  48   6.556  -0.401   1.535
  358    HD2  LYS  48           2HD      LYS  48   7.335  -0.479  -1.406
  359    HD3  LYS  48           3HD      LYS  48   7.454   0.947  -0.381
  360    HE2  LYS  48           2HE      LYS  48   9.645   0.003  -0.499
  361    HE3  LYS  48           3HE      LYS  48   9.032  -0.385   1.107
  362    HZ1  LYS  48           3HZ      LYS  48   8.565  -2.602   0.390
  363    HZ2  LYS  48           1HZ      LYS  48  10.166  -2.241   0.006
  364    HZ3  LYS  48           2HZ      LYS  48   8.986  -2.245  -1.206
  365    H    LEU  49           H        LEU  49   3.770  -4.112  -0.219
  366    HA   LEU  49           HA       LEU  49   4.874  -6.659   0.343
  367    HB2  LEU  49           2HB      LEU  49   2.861  -5.789   1.432
  368    HB3  LEU  49           3HB      LEU  49   1.999  -5.781  -0.096
  369    HG   LEU  49           HG       LEU  49   1.898  -8.208  -0.145
  370   HD11  LEU  49          1HD1      LEU  49   4.109  -8.770   0.731
  371   HD12  LEU  49          2HD1      LEU  49   2.851  -9.639   1.603
  372   HD13  LEU  49          3HD1      LEU  49   3.625  -8.240   2.344
  373   HD21  LEU  49          3HD2      LEU  49   0.183  -7.076   1.204
  374   HD22  LEU  49          1HD2      LEU  49   1.203  -7.207   2.643
  375   HD23  LEU  49          2HD2      LEU  49   0.564  -8.660   1.869
  376    H    TYR  50           H        TYR  50   3.070  -5.399  -2.476
  377    HA   TYR  50           HA       TYR  50   3.021  -7.703  -4.046
  378    HB2  TYR  50           2HB      TYR  50   3.101  -4.763  -4.804
  379    HB3  TYR  50           3HB      TYR  50   3.098  -6.008  -6.049
  380    HD1  TYR  50           HD2      TYR  50   1.217  -8.003  -4.950
  381    HD2  TYR  50           HD1      TYR  50   0.956  -3.733  -4.975
  382    HE1  TYR  50           HE2      TYR  50  -1.225  -8.149  -4.848
  383    HE2  TYR  50           HE1      TYR  50  -1.496  -3.893  -4.884
  384    HH   TYR  50           HH       TYR  50  -3.264  -5.430  -5.327
  385    H    GLU  51           H        GLU  51   5.644  -5.275  -3.745
  386    HA   GLU  51           HA       GLU  51   7.395  -6.304  -5.701
  387    HB2  GLU  51           2HB      GLU  51   8.150  -4.955  -3.085
  388    HB3  GLU  51           3HB      GLU  51   9.215  -5.165  -4.471
  389    HG2  GLU  51           2HG      GLU  51   7.658  -3.726  -5.804
  390    HG3  GLU  51           3HG      GLU  51   6.732  -3.439  -4.330
  391    H    ARG  52           H        ARG  52   6.931  -7.214  -2.307
  392    HA   ARG  52           HA       ARG  52   9.059  -9.041  -1.967
  393    HB2  ARG  52           2HB      ARG  52   6.308  -9.202  -0.650
  394    HB3  ARG  52           3HB      ARG  52   7.794  -9.942  -0.058
  395    HG2  ARG  52           2HG      ARG  52   8.741  -7.721   0.407
  396    HG3  ARG  52           3HG      ARG  52   7.305  -6.954  -0.270
  397    HD2  ARG  52           2HD      ARG  52   5.956  -8.184   1.528
  398    HD3  ARG  52           3HD      ARG  52   7.506  -8.597   2.270
  399    HE   ARG  52           HE       ARG  52   7.224  -5.793   1.773
  400   HH11  ARG  52          1HH1      ARG  52   6.281  -8.285   4.070
  401   HH12  ARG  52          2HH1      ARG  52   6.188  -7.176   5.398
  402   HH21  ARG  52          1HH2      ARG  52   7.106  -4.380   3.520
  403   HH22  ARG  52          2HH2      ARG  52   6.661  -4.979   5.084
  404    H    LEU  53           H        LEU  53   5.800  -9.422  -3.261
  405    HA   LEU  53           HA       LEU  53   5.956 -12.303  -3.638
  406    HB2  LEU  53           2HB      LEU  53   3.866 -10.323  -4.624
  407    HB3  LEU  53           3HB      LEU  53   3.672 -12.063  -4.484
  408    HG   LEU  53           HG       LEU  53   3.989 -10.138  -2.146
  409   HD11  LEU  53          1HD1      LEU  53   1.618 -10.573  -1.674
  410   HD12  LEU  53          2HD1      LEU  53   1.496 -11.543  -3.145
  411   HD13  LEU  53          3HD1      LEU  53   1.843  -9.815  -3.250
  412   HD21  LEU  53          3HD2      LEU  53   4.906 -12.329  -1.583
  413   HD22  LEU  53          1HD2      LEU  53   3.420 -13.122  -2.122
  414   HD23  LEU  53          2HD2      LEU  53   3.399 -12.059  -0.713
  415    H    ASP  54           H        ASP  54   7.622 -10.102  -5.222
  416    HA   ASP  54           HA       ASP  54   8.431  -9.599  -7.251
  417    HB2  ASP  54           2HB      ASP  54   8.967 -12.089  -7.118
  418    HB3  ASP  54           3HB      ASP  54   7.542 -12.387  -8.104
  419    H    ARG  55           H        ARG  55   5.504  -9.242  -6.686
  420    HA   ARG  55           HA       ARG  55   4.294  -8.948  -9.349
  421    HB2  ARG  55           2HB      ARG  55   3.149  -8.231  -6.603
  422    HB3  ARG  55           3HB      ARG  55   2.254  -8.262  -8.116
  423    HG2  ARG  55           2HG      ARG  55   3.372 -10.630  -6.589
  424    HG3  ARG  55           3HG      ARG  55   1.673 -10.206  -6.813
  425    HD2  ARG  55           2HD      ARG  55   3.623 -11.176  -8.928
  426    HD3  ARG  55           3HD      ARG  55   2.227 -12.049  -8.288
  427    HE   ARG  55           HE       ARG  55   1.327  -9.638  -9.391
  428   HH11  ARG  55          1HH1      ARG  55   2.668 -12.704 -10.491
  429   HH12  ARG  55          2HH1      ARG  55   1.989 -12.554 -12.078
  430   HH21  ARG  55          1HH2      ARG  55   0.487  -9.447 -11.464
  431   HH22  ARG  55          2HH2      ARG  55   0.765 -10.696 -12.639
  432    H    THR  56           H        THR  56   6.496  -7.504  -9.320
  433    HA   THR  56           HA       THR  56   6.571  -4.997  -8.051
  434    HB   THR  56           HB       THR  56   7.976  -5.848 -10.624
  435    HG1  THR  56           HG1      THR  56   9.371  -6.908  -9.393
  436   HG21  THR  56          3HG2      THR  56   8.762  -3.743  -8.569
  437   HG22  THR  56          1HG2      THR  56   8.160  -3.417 -10.199
  438   HG23  THR  56          2HG2      THR  56   9.712  -4.220  -9.976
  439    H    ASP  57           H        ASP  57   5.194  -6.025 -11.125
  440    HA   ASP  57           HA       ASP  57   4.620  -3.504 -12.285
  441    HB2  ASP  57           2HB      ASP  57   4.561  -5.536 -13.628
  442    HB3  ASP  57           3HB      ASP  57   3.322  -6.242 -12.601
  443    H    ASP  58           H        ASP  58   2.676  -5.692 -10.258
  444    HA   ASP  58           HA       ASP  58   0.321  -4.114 -10.083
  445    HB2  ASP  58           2HB      ASP  58   1.410  -6.179  -8.119
  446    HB3  ASP  58           3HB      ASP  58  -0.238  -5.539  -8.099
  447    H    ALA  59           H        ALA  59   3.312  -4.191  -8.244
  448    HA   ALA  59           HA       ALA  59   2.677  -2.444  -6.136
  449    HB1  ALA  59           3HB      ALA  59   4.728  -3.814  -6.160
  450    HB2  ALA  59           1HB      ALA  59   5.110  -2.108  -5.911
  451    HB3  ALA  59           2HB      ALA  59   5.368  -2.849  -7.490
  452    H    ILE  60           H        ILE  60   4.138  -1.767  -9.350
  453    HA   ILE  60           HA       ILE  60   4.501   0.992  -9.216
  454    HB   ILE  60           HB       ILE  60   3.698  -0.628 -11.681
  455   HG12  ILE  60          2HG1      ILE  60   5.774  -1.502 -10.695
  456   HG13  ILE  60          3HG1      ILE  60   6.147  -0.688 -12.204
  457   HG21  ILE  60          1HG2      ILE  60   4.738   1.193 -13.031
  458   HG22  ILE  60          2HG2      ILE  60   4.958   2.137 -11.556
  459   HG23  ILE  60          3HG2      ILE  60   3.333   1.745 -12.117
  460   HD11  ILE  60          3HD1      ILE  60   7.811  -0.197 -10.546
  461   HD12  ILE  60          1HD1      ILE  60   6.581   0.400  -9.430
  462   HD13  ILE  60          2HD1      ILE  60   6.907   1.265 -10.933
  463    H    ASP  61           H        ASP  61   1.659  -0.840 -10.230
  464    HA   ASP  61           HA       ASP  61  -0.048   1.279 -10.942
  465    HB2  ASP  61           2HB      ASP  61  -0.537  -1.044 -11.580
  466    HB3  ASP  61           3HB      ASP  61  -0.732  -1.501  -9.891
  467    H    THR  62           H        THR  62   0.298  -0.493  -7.873
  468    HA   THR  62           HA       THR  62  -1.755   0.808  -6.437
  469    HB   THR  62           HB       THR  62   0.688  -0.676  -5.362
  470    HG1  THR  62           HG1      THR  62  -0.310  -2.316  -6.246
  471   HG21  THR  62          3HG2      THR  62  -0.482   0.619  -3.595
  472   HG22  THR  62          1HG2      THR  62  -0.689  -1.119  -3.367
  473   HG23  THR  62          2HG2      THR  62  -2.003  -0.154  -4.038
  474    H    TYR  63           H        TYR  63   1.666   1.579  -6.862
  475    HA   TYR  63           HA       TYR  63   1.810   3.655  -4.893
  476    HB2  TYR  63           2HB      TYR  63   3.568   3.146  -7.329
  477    HB3  TYR  63           3HB      TYR  63   3.915   4.340  -6.077
  478    HD1  TYR  63           HD2      TYR  63   3.283   2.816  -3.586
  479    HD2  TYR  63           HD1      TYR  63   5.314   1.567  -7.133
  480    HE1  TYR  63           HE2      TYR  63   4.503   1.119  -2.303
  481    HE2  TYR  63           HE1      TYR  63   6.527  -0.120  -5.842
  482    HH   TYR  63           HH       TYR  63   7.171  -0.579  -3.613
  483    H    ALA  64           H        ALA  64   1.241   3.588  -8.418
  484    HA   ALA  64           HA       ALA  64   0.958   6.353  -8.881
  485    HB1  ALA  64           3HB      ALA  64  -0.197   5.686 -10.967
  486    HB2  ALA  64           1HB      ALA  64  -0.323   4.032 -10.362
  487    HB3  ALA  64           2HB      ALA  64   1.261   4.728 -10.701
  488    H    GLN  65           H        GLN  65  -1.385   3.882  -7.934
  489    HA   GLN  65           HA       GLN  65  -3.749   5.410  -7.828
  490    HB2  GLN  65           2HB      GLN  65  -2.830   2.921  -6.341
  491    HB3  GLN  65           3HB      GLN  65  -4.395   3.647  -6.006
  492    HG2  GLN  65           2HG      GLN  65  -3.696   2.908  -8.834
  493    HG3  GLN  65           3HG      GLN  65  -4.180   1.649  -7.706
  494   HE21  GLN  65          1HE2      GLN  65  -5.542   4.939  -7.678
  495   HE22  GLN  65          2HE2      GLN  65  -7.121   4.463  -8.148
  496    H    GLY  66           H        GLY  66  -1.269   4.707  -5.442
  497    HA2  GLY  66           2HA      GLY  66  -2.144   6.168  -3.253
  498    HA3  GLY  66           3HA      GLY  66  -0.477   5.778  -3.621
  499    H    ILE  67           H        ILE  67  -0.128   7.220  -5.982
  500    HA   ILE  67           HA       ILE  67   0.720   9.697  -5.038
  501    HB   ILE  67           HB       ILE  67   0.301   8.622  -7.851
  502   HG12  ILE  67          2HG1      ILE  67   2.870   9.256  -6.314
  503   HG13  ILE  67          3HG1      ILE  67   2.139   7.662  -6.431
  504   HG21  ILE  67          1HG2      ILE  67   1.550  10.538  -8.797
  505   HG22  ILE  67          2HG2      ILE  67   1.516  11.333  -7.227
  506   HG23  ILE  67          3HG2      ILE  67   0.014  11.040  -8.097
  507   HD11  ILE  67          3HD1      ILE  67   3.243   9.261  -8.733
  508   HD12  ILE  67          1HD1      ILE  67   2.523   7.654  -8.842
  509   HD13  ILE  67          2HD1      ILE  67   4.016   7.894  -7.939
  510    H    GLU  68           H        GLU  68  -2.211   8.879  -6.863
  511    HA   GLU  68           HA       GLU  68  -3.218  11.448  -7.392
  512    HB2  GLU  68           2HB      GLU  68  -4.842   8.926  -6.823
  513    HB3  GLU  68           3HB      GLU  68  -5.373  10.331  -7.748
  514    HG2  GLU  68           2HG      GLU  68  -3.803   9.820  -9.529
  515    HG3  GLU  68           3HG      GLU  68  -3.077   8.532  -8.571
  516    H    VAL  69           H        VAL  69  -3.746   9.258  -4.681
  517    HA   VAL  69           HA       VAL  69  -5.489  11.144  -3.287
  518    HB   VAL  69           HB       VAL  69  -5.778   9.372  -1.589
  519   HG11  VAL  69          1HG1      VAL  69  -7.070   7.829  -3.001
  520   HG12  VAL  69          2HG1      VAL  69  -6.223   8.393  -4.443
  521   HG13  VAL  69          3HG1      VAL  69  -7.278   9.496  -3.550
  522   HG21  VAL  69          3HG2      VAL  69  -3.567   8.270  -1.748
  523   HG22  VAL  69          1HG2      VAL  69  -3.975   7.660  -3.351
  524   HG23  VAL  69          2HG2      VAL  69  -4.879   7.105  -1.935
  525    H    ALA  70           H        ALA  70  -2.096  10.442  -3.303
  526    HA   ALA  70           HA       ALA  70  -1.531  10.976  -0.542
  527    HB1  ALA  70           3HB      ALA  70   0.820  10.946  -1.244
  528    HB2  ALA  70           1HB      ALA  70   0.323  10.957  -2.941
  529    HB3  ALA  70           2HB      ALA  70  -0.061   9.576  -1.916
  530    H    ARG  71           H        ARG  71  -1.200  12.791  -3.554
  531    HA   ARG  71           HA       ARG  71  -0.243  15.226  -2.499
  532    HB2  ARG  71           2HB      ARG  71  -1.049  16.194  -4.692
  533    HB3  ARG  71           3HB      ARG  71  -0.071  14.740  -4.888
  534    HG2  ARG  71           2HG      ARG  71  -2.079  13.394  -5.213
  535    HG3  ARG  71           3HG      ARG  71  -3.093  14.794  -4.914
  536    HD2  ARG  71           2HD      ARG  71  -2.121  15.846  -6.991
  537    HD3  ARG  71           3HD      ARG  71  -1.308  14.302  -7.316
  538    HE   ARG  71           HE       ARG  71  -4.082  13.911  -6.803
  539   HH11  ARG  71          1HH1      ARG  71  -1.980  15.028  -9.386
  540   HH12  ARG  71          2HH1      ARG  71  -3.097  14.578 -10.627
  541   HH21  ARG  71          1HH2      ARG  71  -5.538  13.412  -8.414
  542   HH22  ARG  71          2HH2      ARG  71  -5.118  13.664 -10.081
  543    H    GLU  72           H        GLU  72  -3.599  14.071  -3.058
  544    HA   GLU  72           HA       GLU  72  -4.715  16.679  -2.325
  545    HB2  GLU  72           2HB      GLU  72  -6.027  14.159  -3.413
  546    HB3  GLU  72           3HB      GLU  72  -6.886  15.664  -3.079
  547    HG2  GLU  72           2HG      GLU  72  -5.566  16.846  -4.755
  548    HG3  GLU  72           3HG      GLU  72  -4.577  15.417  -5.031
  549    H    GLU  73           H        GLU  73  -5.191  13.281  -1.281
  550    HA   GLU  73           HA       GLU  73  -6.782  14.069   1.012
  551    HB2  GLU  73           2HB      GLU  73  -5.827  11.324   0.105
  552    HB3  GLU  73           3HB      GLU  73  -6.936  11.600   1.445
  553    HG2  GLU  73           2HG      GLU  73  -7.467  12.342  -1.449
  554    HG3  GLU  73           3HG      GLU  73  -8.081  10.898  -0.642
  555    H    GLY  74           H        GLY  74  -3.543  12.621   0.496
  556    HA2  GLY  74           2HA      GLY  74  -2.944  12.625   3.371
  557    HA3  GLY  74           3HA      GLY  74  -1.939  11.992   2.069
  558    H    THR  75           H        THR  75  -0.212  13.140   3.272
  559    HA   THR  75           HA       THR  75  -0.052  16.029   2.604
  560    HB   THR  75           HB       THR  75   1.854  16.116   4.211
  561    HG1  THR  75           HG1      THR  75   1.265  13.361   4.508
  562   HG21  THR  75          3HG2      THR  75  -0.416  16.612   5.080
  563   HG22  THR  75          1HG2      THR  75   0.590  15.834   6.306
  564   HG23  THR  75          2HG2      THR  75  -0.643  14.902   5.456
  565    H    GLN  76           H        GLN  76   2.463  16.610   2.302
  566    HA   GLN  76           HA       GLN  76   3.205  15.680  -0.259
  567    HB2  GLN  76           2HB      GLN  76   3.742  17.943   0.717
  568    HB3  GLN  76           3HB      GLN  76   4.940  17.174   1.750
  569    HG2  GLN  76           2HG      GLN  76   6.128  18.145  -0.059
  570    HG3  GLN  76           3HG      GLN  76   6.132  16.410  -0.357
  571   HE21  GLN  76          1HE2      GLN  76   6.522  18.636  -2.235
  572   HE22  GLN  76          2HE2      GLN  76   5.325  18.437  -3.465
  573    H    LYS  77           H        LYS  77   4.150  14.681   2.951
  574    HA   LYS  77           HA       LYS  77   6.482  13.225   2.531
  575    HB2  LYS  77           2HB      LYS  77   5.523  13.690   4.778
  576    HB3  LYS  77           3HB      LYS  77   4.196  12.580   4.447
  577    HG2  LYS  77           2HG      LYS  77   5.869  10.721   4.235
  578    HG3  LYS  77           3HG      LYS  77   7.137  11.853   4.710
  579    HD2  LYS  77           2HD      LYS  77   6.011  12.174   6.897
  580    HD3  LYS  77           3HD      LYS  77   4.744  11.045   6.405
  581    HE2  LYS  77           2HE      LYS  77   6.428   9.239   6.225
  582    HE3  LYS  77           3HE      LYS  77   7.691  10.365   6.727
  583    HZ1  LYS  77           3HZ      LYS  77   5.347   9.562   8.354
  584    HZ2  LYS  77           1HZ      LYS  77   6.575  10.618   8.841
  585    HZ3  LYS  77           2HZ      LYS  77   6.925   8.988   8.548
  586    H    ASP  78           H        ASP  78   3.105  12.194   2.297
  587    HA   ASP  78           HA       ASP  78   3.472   9.444   1.727
  588    HB2  ASP  78           2HB      ASP  78   1.140  11.257   0.921
  589    HB3  ASP  78           3HB      ASP  78   1.104   9.497   0.976
  590    H    LEU  79           H        LEU  79   2.921  12.272  -0.325
  591    HA   LEU  79           HA       LEU  79   2.722  11.047  -2.826
  592    HB2  LEU  79           2HB      LEU  79   2.065  13.403  -2.370
  593    HB3  LEU  79           3HB      LEU  79   3.754  13.831  -2.145
  594    HG   LEU  79           HG       LEU  79   4.189  13.241  -4.554
  595   HD11  LEU  79          1HD1      LEU  79   2.303  12.963  -6.102
  596   HD12  LEU  79          2HD1      LEU  79   1.180  12.931  -4.742
  597   HD13  LEU  79          3HD1      LEU  79   2.379  11.650  -4.927
  598   HD21  LEU  79          3HD2      LEU  79   3.801  15.580  -3.907
  599   HD22  LEU  79          1HD2      LEU  79   2.063  15.371  -4.149
  600   HD23  LEU  79          2HD2      LEU  79   3.171  15.250  -5.518
  601    H    SER  80           H        SER  80   5.536  12.466  -1.206
  602    HA   SER  80           HA       SER  80   7.458  12.125  -3.195
  603    HB2  SER  80           2HB      SER  80   7.864  12.143  -0.165
  604    HB3  SER  80           3HB      SER  80   9.116  12.445  -1.372
  605    HG   SER  80           HG       SER  80   7.265  14.137  -0.341
  606    H    GLU  81           H        GLU  81   6.464   9.947  -0.561
  607    HA   GLU  81           HA       GLU  81   8.556   8.024  -0.955
  608    HB2  GLU  81           2HB      GLU  81   5.985   7.876   0.669
  609    HB3  GLU  81           3HB      GLU  81   7.226   6.624   0.676
  610    HG2  GLU  81           2HG      GLU  81   8.865   8.357   1.483
  611    HG3  GLU  81           3HG      GLU  81   7.524   9.486   1.629
  612    H    LEU  82           H        LEU  82   5.220   8.267  -2.076
  613    HA   LEU  82           HA       LEU  82   5.075   5.581  -3.111
  614    HB2  LEU  82           2HB      LEU  82   3.366   8.054  -3.478
  615    HB3  LEU  82           3HB      LEU  82   2.994   6.535  -4.287
  616    HG   LEU  82           HG       LEU  82   3.342   6.610  -1.268
  617   HD11  LEU  82          1HD1      LEU  82   0.926   6.879  -0.987
  618   HD12  LEU  82          2HD1      LEU  82   0.760   7.174  -2.716
  619   HD13  LEU  82          3HD1      LEU  82   1.667   8.302  -1.715
  620   HD21  LEU  82          3HD2      LEU  82   1.768   4.756  -3.086
  621   HD22  LEU  82          1HD2      LEU  82   1.920   4.621  -1.331
  622   HD23  LEU  82          2HD2      LEU  82   3.339   4.409  -2.354
  623    H    GLN  83           H        GLN  83   5.783   8.753  -4.510
  624    HA   GLN  83           HA       GLN  83   6.257   7.941  -7.190
  625    HB2  GLN  83           2HB      GLN  83   7.324  10.272  -5.542
  626    HB3  GLN  83           3HB      GLN  83   7.668  10.085  -7.258
  627    HG2  GLN  83           2HG      GLN  83   5.322  10.330  -7.818
  628    HG3  GLN  83           3HG      GLN  83   4.866  10.294  -6.119
  629   HE21  GLN  83          1HE2      GLN  83   6.914  12.054  -5.169
  630   HE22  GLN  83          2HE2      GLN  83   6.549  13.638  -5.749
  631    H    ASP  84           H        ASP  84   8.275   8.160  -4.314
  632    HA   ASP  84           HA       ASP  84  10.799   7.609  -5.462
  633    HB2  ASP  84           2HB      ASP  84  10.537   8.699  -3.272
  634    HB3  ASP  84           3HB      ASP  84   9.782   7.256  -2.612
  635    H    ALA  85           H        ALA  85   8.326   5.542  -4.005
  636    HA   ALA  85           HA       ALA  85   9.887   3.164  -3.873
  637    HB1  ALA  85           3HB      ALA  85   6.874   3.502  -3.708
  638    HB2  ALA  85           1HB      ALA  85   7.996   3.584  -2.347
  639    HB3  ALA  85           2HB      ALA  85   7.784   2.068  -3.227
  640    H    LYS  86           H        LYS  86   7.444   4.404  -6.184
  641    HA   LYS  86           HA       LYS  86   7.499   2.083  -7.838
  642    HB2  LYS  86           2HB      LYS  86   6.257   3.304  -9.509
  643    HB3  LYS  86           3HB      LYS  86   5.584   3.625  -7.921
  644    HG2  LYS  86           2HG      LYS  86   6.489   5.840  -7.876
  645    HG3  LYS  86           3HG      LYS  86   7.480   5.540  -9.306
  646    HD2  LYS  86           2HD      LYS  86   4.432   5.621  -9.250
  647    HD3  LYS  86           3HD      LYS  86   5.481   6.919  -9.827
  648    HE2  LYS  86           2HE      LYS  86   6.371   5.363 -11.573
  649    HE3  LYS  86           3HE      LYS  86   5.220   4.139 -11.036
  650    HZ1  LYS  86           3HZ      LYS  86   4.559   6.799 -12.184
  651    HZ2  LYS  86           1HZ      LYS  86   3.425   5.685 -11.602
  652    HZ3  LYS  86           2HZ      LYS  86   4.379   5.298 -12.943
  653    H    LEU  87           H        LEU  87   9.436   5.104  -7.907
  654    HA   LEU  87           HA       LEU  87  10.462   4.613 -10.533
  655    HB2  LEU  87           2HB      LEU  87  11.952   6.494 -10.229
  656    HB3  LEU  87           3HB      LEU  87  10.345   6.887  -9.674
  657    HG   LEU  87           HG       LEU  87  11.332   6.394  -7.272
  658   HD11  LEU  87          1HD1      LEU  87  13.694   6.986  -6.983
  659   HD12  LEU  87          2HD1      LEU  87  13.911   7.014  -8.736
  660   HD13  LEU  87          3HD1      LEU  87  13.508   5.503  -7.917
  661   HD21  LEU  87          3HD2      LEU  87  11.964   8.752  -7.027
  662   HD22  LEU  87          1HD2      LEU  87  10.509   8.582  -8.007
  663   HD23  LEU  87          2HD2      LEU  87  12.059   8.926  -8.779
  664    H    LYS  88           H        LYS  88  11.656   3.804  -7.281
  665    HA   LYS  88           HA       LYS  88  14.074   2.602  -8.287
  666    HB2  LYS  88           2HB      LYS  88  14.431   1.767  -6.023
  667    HB3  LYS  88           3HB      LYS  88  13.971   3.457  -6.001
  668    HG2  LYS  88           2HG      LYS  88  12.732   2.700  -4.229
  669    HG3  LYS  88           3HG      LYS  88  11.551   2.483  -5.521
  670    HD2  LYS  88           2HD      LYS  88  12.161   0.087  -5.665
  671    HD3  LYS  88           3HD      LYS  88  13.357   0.310  -4.387
  672    HE2  LYS  88           2HE      LYS  88  11.499   0.998  -2.844
  673    HE3  LYS  88           3HE      LYS  88  10.345   0.619  -4.124
  674    HZ1  LYS  88           3HZ      LYS  88  11.208  -1.660  -4.111
  675    HZ2  LYS  88           1HZ      LYS  88  10.512  -1.218  -2.646
  676    HZ3  LYS  88           2HZ      LYS  88  12.196  -1.276  -2.793
  677    H    ALA  89           H        ALA  89  10.778   1.436  -7.692
  678    HA   ALA  89           HA       ALA  89  11.282  -1.300  -8.160
  679    HB1  ALA  89           3HB      ALA  89   8.726   0.277  -8.520
  680    HB2  ALA  89           1HB      ALA  89   9.258  -0.517  -7.038
  681    HB3  ALA  89           2HB      ALA  89   8.838  -1.483  -8.456
  682    H    GLU  90           H        GLU  90  10.731   1.396 -10.389
  683    HA   GLU  90           HA       GLU  90  10.598  -0.004 -12.839
  684    HB2  GLU  90           2HB      GLU  90  11.997   2.651 -12.281
  685    HB3  GLU  90           3HB      GLU  90  11.539   2.053 -13.870
  686    HG2  GLU  90           2HG      GLU  90   9.588   2.736 -11.660
  687    HG3  GLU  90           3HG      GLU  90  10.045   3.833 -12.955
  688    H    GLY  91           H        GLY  91  13.302   0.996 -10.780
  689    HA2  GLY  91           2HA      GLY  91  15.465   0.170 -12.401
  690    HA3  GLY  91           3HA      GLY  91  15.509   0.496 -10.680
  691    H    LEU  92           H        LEU  92  13.414  -1.603 -10.125
  692    HA   LEU  92           HA       LEU  92  15.042  -3.888  -9.717
  693    HB2  LEU  92           2HB      LEU  92  11.997  -3.773  -9.868
  694    HB3  LEU  92           3HB      LEU  92  12.929  -5.118  -9.228
  695    HG   LEU  92           HG       LEU  92  12.704  -2.338  -8.020
  696   HD11  LEU  92          1HD1      LEU  92  11.671  -5.010  -7.026
  697   HD12  LEU  92          2HD1      LEU  92  10.702  -3.701  -7.705
  698   HD13  LEU  92          3HD1      LEU  92  11.543  -3.465  -6.179
  699   HD21  LEU  92          3HD2      LEU  92  14.965  -3.168  -7.632
  700   HD22  LEU  92          1HD2      LEU  92  14.332  -4.691  -6.999
  701   HD23  LEU  92          2HD2      LEU  92  14.044  -3.179  -6.133
  702    H    GLU  93           H        GLU  93  12.521  -3.192 -12.147
  703    HA   GLU  93           HA       GLU  93  13.221  -5.594 -13.688
  704    HB2  GLU  93           2HB      GLU  93  10.873  -3.672 -13.988
  705    HB3  GLU  93           3HB      GLU  93  11.108  -5.149 -14.925
  706    HG2  GLU  93           2HG      GLU  93  11.032  -6.440 -12.757
  707    HG3  GLU  93           3HG      GLU  93  10.597  -4.945 -11.937
  708    H    HIS  94           H        HIS  94  14.783  -2.928 -13.574
  709    HA   HIS  94           HA       HIS  94  14.649  -1.791 -16.199
  710    HB2  HIS  94           2HB      HIS  94  15.480  -0.534 -14.250
  711    HB3  HIS  94           3HB      HIS  94  16.868  -1.607 -14.125
  712    HD1  HIS  94           HD1      HIS  94  18.836  -0.263 -14.846
  713    HD2  HIS  94           HD2      HIS  94  15.546   0.418 -17.303
  714    HE1  HIS  94           HE1      HIS  94  19.628   1.361 -16.595
  715    HE2  HIS  94           HE2      HIS  94  17.608   1.797 -18.032
  716    H    HIS  95           H        HIS  95  15.031  -3.068 -17.864
  717    HA   HIS  95           HA       HIS  95  15.993  -4.360 -19.417
  718    HB2  HIS  95           2HB      HIS  95  18.136  -3.127 -18.774
  719    HB3  HIS  95           3HB      HIS  95  18.532  -4.498 -17.748
  720    HD1  HIS  95           HD1      HIS  95  17.838  -3.749 -21.416
  721    HD2  HIS  95           HD2      HIS  95  19.871  -6.524 -19.086
  722    HE1  HIS  95           HE1      HIS  95  19.120  -5.177 -23.030
  723    HE2  HIS  95           HE2      HIS  95  20.205  -6.934 -21.606
  724    H    HIS  96           H        HIS  96  15.093  -5.343 -16.478
  725    HA   HIS  96           HA       HIS  96  15.690  -8.195 -16.811
  726    HB2  HIS  96           2HB      HIS  96  14.155  -6.718 -14.632
  727    HB3  HIS  96           3HB      HIS  96  14.410  -8.457 -14.661
  728    HD1  HIS  96           HD1      HIS  96  16.470  -9.282 -13.514
  729    HD2  HIS  96           HD2      HIS  96  16.676  -5.226 -14.359
  730    HE1  HIS  96           HE1      HIS  96  18.566  -8.469 -12.409
  731    HE2  HIS  96           HE2      HIS  96  18.787  -6.081 -13.144
  732    H    HIS  97           H        HIS  97  14.470  -9.244 -18.217
  733    HA   HIS  97           HA       HIS  97  12.822  -9.882 -19.625
  734    HB2  HIS  97           2HB      HIS  97  10.948  -8.596 -17.590
  735    HB3  HIS  97           3HB      HIS  97  10.397  -9.510 -18.988
  736    HD1  HIS  97           HD1      HIS  97   9.649 -11.738 -18.268
  737    HD2  HIS  97           HD2      HIS  97  12.959 -10.503 -16.082
  738    HE1  HIS  97           HE1      HIS  97  10.162 -13.629 -16.707
  739    HE2  HIS  97           HE2      HIS  97  12.251 -12.919 -15.502
  740    H    HIS  98           H        HIS  98  14.194  -7.291 -19.782
  741    HA   HIS  98           HA       HIS  98  12.572  -6.052 -21.908
  742    HB2  HIS  98           2HB      HIS  98  13.983  -4.504 -19.678
  743    HB3  HIS  98           3HB      HIS  98  13.381  -3.764 -21.159
  744    HD1  HIS  98           HD1      HIS  98  10.810  -3.470 -21.380
  745    HD2  HIS  98           HD2      HIS  98  12.013  -5.103 -17.757
  746    HE1  HIS  98           HE1      HIS  98   8.812  -3.309 -19.870
  747    HE2  HIS  98           HE2      HIS  98   9.525  -4.424 -17.728
  748    H    HIS  99           H        HIS  99  13.785  -5.409 -23.658
  749    HA   HIS  99           HA       HIS  99  16.661  -6.099 -23.631
  750    HB2  HIS  99           2HB      HIS  99  16.380  -6.253 -26.177
  751    HB3  HIS  99           3HB      HIS  99  15.534  -7.473 -25.238
  752    HD1  HIS  99           HD1      HIS  99  14.832  -4.304 -27.199
  753    HD2  HIS  99           HD2      HIS  99  12.837  -7.628 -25.725
  754    HE1  HIS  99           HE1      HIS  99  12.508  -4.172 -28.151
  755    HE2  HIS  99           HE2      HIS  99  11.395  -6.299 -27.387
  Start of MODEL   14
    1    H1   GLU   1           1H       GLU   1 -12.952   0.765  18.823
    2    H2   GLU   1           2H       GLU   1 -12.419  -0.824  19.037
    3    H3   GLU   1           3H       GLU   1 -14.032  -0.522  18.643
    4    HA   GLU   1           HA       GLU   1 -13.444   0.310  16.514
    5    HB2  GLU   1           2HB      GLU   1 -11.169   0.364  15.678
    6    HB3  GLU   1           3HB      GLU   1 -11.199   1.243  17.200
    7    HG2  GLU   1           2HG      GLU   1 -10.186  -1.603  16.844
    8    HG3  GLU   1           3HG      GLU   1  -9.169  -0.169  16.899
    9    H    ASP   2           H        ASP   2 -13.310  -1.123  14.726
   10    HA   ASP   2           HA       ASP   2 -13.103  -4.018  15.339
   11    HB2  ASP   2           2HB      ASP   2 -15.084  -2.670  13.432
   12    HB3  ASP   2           3HB      ASP   2 -14.950  -4.402  13.717
   13    HA   PRO   3           HA       PRO   3 -10.314  -4.323  11.723
   14    HB2  PRO   3           2HB      PRO   3 -12.002  -6.731  11.019
   15    HB3  PRO   3           3HB      PRO   3 -10.241  -6.583  11.108
   16    HG2  PRO   3           2HG      PRO   3 -11.558  -7.807  13.062
   17    HG3  PRO   3           3HG      PRO   3 -10.223  -6.700  13.462
   18    HD2  PRO   3           2HD      PRO   3 -13.196  -6.225  13.615
   19    HD3  PRO   3           3HD      PRO   3 -11.920  -5.731  14.750
   20    H    GLU   4           H        GLU   4 -13.745  -3.993  11.446
   21    HA   GLU   4           HA       GLU   4 -14.051  -3.573   8.672
   22    HB2  GLU   4           2HB      GLU   4 -15.535  -2.308  11.013
   23    HB3  GLU   4           3HB      GLU   4 -16.096  -2.316   9.340
   24    HG2  GLU   4           2HG      GLU   4 -16.326  -4.742   9.377
   25    HG3  GLU   4           3HG      GLU   4 -15.631  -4.815  10.997
   26    H    ASP   5           H        ASP   5 -13.089  -1.430  11.315
   27    HA   ASP   5           HA       ASP   5 -13.047   1.032   9.931
   28    HB2  ASP   5           2HB      ASP   5 -11.459   0.217  12.399
   29    HB3  ASP   5           3HB      ASP   5 -11.602   1.869  11.802
   30    HA   PRO   6           HA       PRO   6  -9.613   0.759   7.110
   31    HB2  PRO   6           2HB      PRO   6  -9.006   3.555   8.072
   32    HB3  PRO   6           3HB      PRO   6  -9.145   2.945   6.418
   33    HG2  PRO   6           2HG      PRO   6 -11.122   4.356   7.618
   34    HG3  PRO   6           3HG      PRO   6 -11.451   3.085   6.426
   35    HD2  PRO   6           2HD      PRO   6 -11.888   3.066   9.357
   36    HD3  PRO   6           3HD      PRO   6 -12.655   2.080   8.096
   37    H    PHE   7           H        PHE   7  -8.680   2.619  10.042
   38    HA   PHE   7           HA       PHE   7  -5.938   1.999   9.894
   39    HB2  PHE   7           2HB      PHE   7  -6.665   3.966  11.115
   40    HB3  PHE   7           3HB      PHE   7  -7.598   2.987  12.243
   41    HD1  PHE   7           HD1      PHE   7  -4.049   3.343  11.005
   42    HD2  PHE   7           HD2      PHE   7  -6.605   2.500  14.337
   43    HE1  PHE   7           HE1      PHE   7  -2.085   3.166  12.475
   44    HE2  PHE   7           HE2      PHE   7  -4.633   2.326  15.795
   45    HZ   PHE   7           HZ       PHE   7  -2.373   2.654  14.866
   46    H    THR   8           H        THR   8  -8.590   0.361  11.647
   47    HA   THR   8           HA       THR   8  -6.950  -1.145  13.388
   48    HB   THR   8           HB       THR   8  -9.741  -1.918  12.447
   49    HG1  THR   8           HG1      THR   8 -10.501  -0.421  13.778
   50   HG21  THR   8          3HG2      THR   8  -8.270  -2.513  15.057
   51   HG22  THR   8          1HG2      THR   8  -8.585  -3.684  13.773
   52   HG23  THR   8          2HG2      THR   8  -9.927  -2.986  14.679
   53    H    ARG   9           H        ARG   9  -8.479  -2.048  10.258
   54    HA   ARG   9           HA       ARG   9  -7.345  -4.685  10.146
   55    HB2  ARG   9           2HB      ARG   9  -8.258  -4.826   7.916
   56    HB3  ARG   9           3HB      ARG   9  -9.428  -4.004   8.930
   57    HG2  ARG   9           2HG      ARG   9  -7.941  -1.900   7.841
   58    HG3  ARG   9           3HG      ARG   9  -8.038  -3.056   6.519
   59    HD2  ARG   9           2HD      ARG   9 -10.431  -1.978   8.040
   60    HD3  ARG   9           3HD      ARG   9  -9.833  -1.322   6.516
   61    HE   ARG   9           HE       ARG   9 -10.624  -4.146   6.618
   62   HH11  ARG   9          1HH1      ARG   9 -11.273  -0.885   5.439
   63   HH12  ARG   9          2HH1      ARG   9 -12.561  -1.399   4.401
   64   HH21  ARG   9          1HH2      ARG   9 -12.332  -4.770   5.252
   65   HH22  ARG   9          2HH2      ARG   9 -13.173  -3.572   4.319
   66    H    TYR  10           H        TYR  10  -6.286  -1.519   9.180
   67    HA   TYR  10           HA       TYR  10  -4.156  -2.199   7.419
   68    HB2  TYR  10           2HB      TYR  10  -5.125   0.023   7.417
   69    HB3  TYR  10           3HB      TYR  10  -4.756   0.250   9.119
   70    HD1  TYR  10           HD2      TYR  10  -2.939  -0.464   5.895
   71    HD2  TYR  10           HD1      TYR  10  -2.928   1.623   9.622
   72    HE1  TYR  10           HE2      TYR  10  -0.851   0.662   5.266
   73    HE2  TYR  10           HE1      TYR  10  -0.846   2.747   8.988
   74    HH   TYR  10           HH       TYR  10   0.349   2.784   5.850
   75    H    ALA  11           H        ALA  11  -4.294  -1.451  10.867
   76    HA   ALA  11           HA       ALA  11  -1.518  -1.756  11.444
   77    HB1  ALA  11           3HB      ALA  11  -3.927  -1.787  13.308
   78    HB2  ALA  11           1HB      ALA  11  -2.997  -0.360  12.841
   79    HB3  ALA  11           2HB      ALA  11  -2.242  -1.627  13.808
   80    H    LEU  12           H        LEU  12  -4.374  -3.804  11.583
   81    HA   LEU  12           HA       LEU  12  -3.219  -6.103  12.781
   82    HB2  LEU  12           2HB      LEU  12  -5.636  -5.700  12.757
   83    HB3  LEU  12           3HB      LEU  12  -5.668  -5.786  11.007
   84    HG   LEU  12           HG       LEU  12  -5.228  -8.184  11.044
   85   HD11  LEU  12          1HD1      LEU  12  -3.671  -8.351  12.912
   86   HD12  LEU  12          2HD1      LEU  12  -5.012  -9.468  13.147
   87   HD13  LEU  12          3HD1      LEU  12  -4.954  -7.960  14.062
   88   HD21  LEU  12          3HD2      LEU  12  -7.387  -7.480  13.068
   89   HD22  LEU  12          1HD2      LEU  12  -7.265  -8.991  12.161
   90   HD23  LEU  12          2HD2      LEU  12  -7.577  -7.479  11.311
   91    H    ALA  13           H        ALA  13  -3.513  -4.979   9.445
   92    HA   ALA  13           HA       ALA  13  -2.627  -7.301   8.102
   93    HB1  ALA  13           3HB      ALA  13  -2.211  -5.823   6.182
   94    HB2  ALA  13           1HB      ALA  13  -2.373  -4.405   7.224
   95    HB3  ALA  13           2HB      ALA  13  -3.763  -5.454   6.937
   96    H    GLN  14           H        GLN  14  -0.906  -4.478   9.410
   97    HA   GLN  14           HA       GLN  14   1.729  -5.229   8.699
   98    HB2  GLN  14           2HB      GLN  14   0.768  -3.560  11.056
   99    HB3  GLN  14           3HB      GLN  14   2.434  -3.638  10.483
  100    HG2  GLN  14           2HG      GLN  14   1.764  -2.636   8.339
  101    HG3  GLN  14           3HG      GLN  14   0.080  -2.607   8.868
  102   HE21  GLN  14          1HE2      GLN  14  -0.070  -0.379   8.671
  103   HE22  GLN  14          2HE2      GLN  14   0.720   0.719   9.746
  104    H    GLU  15           H        GLU  15  -0.296  -6.061  11.489
  105    HA   GLU  15           HA       GLU  15   1.637  -7.512  12.972
  106    HB2  GLU  15           2HB      GLU  15  -1.395  -7.761  12.921
  107    HB3  GLU  15           3HB      GLU  15  -0.360  -8.607  14.072
  108    HG2  GLU  15           2HG      GLU  15   0.447  -6.424  14.931
  109    HG3  GLU  15           3HG      GLU  15  -0.622  -5.599  13.798
  110    H    HIS  16           H        HIS  16  -0.675  -8.525  10.449
  111    HA   HIS  16           HA       HIS  16   0.000 -11.249  10.366
  112    HB2  HIS  16           2HB      HIS  16  -1.033  -9.468   8.128
  113    HB3  HIS  16           3HB      HIS  16  -0.834 -11.210   7.964
  114    HD1  HIS  16           HD1      HIS  16  -2.252 -12.605   9.948
  115    HD2  HIS  16           HD2      HIS  16  -3.537  -8.797   8.913
  116    HE1  HIS  16           HE1      HIS  16  -4.622 -12.444  10.750
  117    HE2  HIS  16           HE2      HIS  16  -5.365 -10.126  10.139
  118    H    LEU  17           H        LEU  17   1.493  -8.464   8.652
  119    HA   LEU  17           HA       LEU  17   3.282  -9.848   7.013
  120    HB2  LEU  17           2HB      LEU  17   3.574  -7.121   8.329
  121    HB3  LEU  17           3HB      LEU  17   4.662  -7.722   7.086
  122    HG   LEU  17           HG       LEU  17   1.682  -7.295   6.642
  123   HD11  LEU  17          1HD1      LEU  17   2.737  -5.132   7.117
  124   HD12  LEU  17          2HD1      LEU  17   2.276  -5.246   5.421
  125   HD13  LEU  17          3HD1      LEU  17   3.967  -5.441   5.888
  126   HD21  LEU  17          3HD2      LEU  17   3.941  -7.798   4.668
  127   HD22  LEU  17          1HD2      LEU  17   2.255  -7.474   4.254
  128   HD23  LEU  17          2HD2      LEU  17   2.677  -8.945   5.122
  129    H    LYS  18           H        LYS  18   3.776  -8.638  10.363
  130    HA   LYS  18           HA       LYS  18   6.462  -9.675  10.554
  131    HB2  LYS  18           2HB      LYS  18   6.338  -9.014  12.961
  132    HB3  LYS  18           3HB      LYS  18   5.948  -7.708  11.851
  133    HG2  LYS  18           2HG      LYS  18   3.597  -7.893  12.330
  134    HG3  LYS  18           3HG      LYS  18   3.846  -9.365  13.270
  135    HD2  LYS  18           2HD      LYS  18   4.970  -6.633  14.025
  136    HD3  LYS  18           3HD      LYS  18   3.468  -7.305  14.666
  137    HE2  LYS  18           2HE      LYS  18   4.751  -9.226  15.592
  138    HE3  LYS  18           3HE      LYS  18   6.245  -8.495  15.006
  139    HZ1  LYS  18           3HZ      LYS  18   4.397  -7.292  16.995
  140    HZ2  LYS  18           1HZ      LYS  18   5.855  -6.619  16.463
  141    HZ3  LYS  18           2HZ      LYS  18   5.862  -8.057  17.351
  142    H    HIS  19           H        HIS  19   3.295 -11.025  11.170
  143    HA   HIS  19           HA       HIS  19   4.347 -13.440  12.433
  144    HB2  HIS  19           2HB      HIS  19   1.579 -12.666  11.430
  145    HB3  HIS  19           3HB      HIS  19   1.940 -14.282  12.029
  146    HD1  HIS  19           HD1      HIS  19   0.282 -14.038  13.963
  147    HD2  HIS  19           HD2      HIS  19   3.292 -11.173  14.028
  148    HE1  HIS  19           HE1      HIS  19   0.101 -12.921  16.198
  149    HE2  HIS  19           HE2      HIS  19   1.844 -11.109  16.165
  150    H    ASP  20           H        ASP  20   4.695 -12.301   9.428
  151    HA   ASP  20           HA       ASP  20   5.358 -13.094   7.439
  152    HB2  ASP  20           2HB      ASP  20   6.620 -14.765   8.898
  153    HB3  ASP  20           3HB      ASP  20   5.319 -15.909   8.599
  154    H    ASN  21           H        ASN  21   2.400 -13.475   8.570
  155    HA   ASN  21           HA       ASN  21   1.137 -15.055   6.491
  156    HB2  ASN  21           2HB      ASN  21  -0.017 -13.245   8.666
  157    HB3  ASN  21           3HB      ASN  21  -0.990 -14.228   7.575
  158   HD21  ASN  21          1HD2      ASN  21   0.654 -16.575   7.600
  159   HD22  ASN  21          2HD2      ASN  21   0.505 -17.276   9.164
  160    H    ALA  22           H        ALA  22   2.434 -13.667   4.944
  161    HA   ALA  22           HA       ALA  22   1.892 -10.965   4.401
  162    HB1  ALA  22           3HB      ALA  22   3.930 -12.086   3.638
  163    HB2  ALA  22           1HB      ALA  22   3.071 -11.382   2.268
  164    HB3  ALA  22           2HB      ALA  22   2.987 -13.119   2.562
  165    H    SER  23           H        SER  23   0.487 -13.951   3.035
  166    HA   SER  23           HA       SER  23  -1.144 -12.833   1.060
  167    HB2  SER  23           2HB      SER  23  -1.715 -15.353   2.673
  168    HB3  SER  23           3HB      SER  23  -2.400 -14.944   1.099
  169    HG   SER  23           HG       SER  23   0.350 -15.366   1.665
  170    H    ARG  24           H        ARG  24  -1.831 -13.353   4.543
  171    HA   ARG  24           HA       ARG  24  -4.572 -12.603   4.461
  172    HB2  ARG  24           2HB      ARG  24  -2.543 -12.771   6.735
  173    HB3  ARG  24           3HB      ARG  24  -4.258 -12.484   6.986
  174    HG2  ARG  24           2HG      ARG  24  -3.062 -14.966   5.715
  175    HG3  ARG  24           3HG      ARG  24  -3.661 -14.839   7.374
  176    HD2  ARG  24           2HD      ARG  24  -5.925 -14.429   6.571
  177    HD3  ARG  24           3HD      ARG  24  -5.367 -14.398   4.894
  178    HE   ARG  24           HE       ARG  24  -4.621 -16.860   5.918
  179   HH11  ARG  24          1HH1      ARG  24  -7.664 -15.185   5.330
  180   HH12  ARG  24          2HH1      ARG  24  -8.554 -16.651   5.085
  181   HH21  ARG  24          1HH2      ARG  24  -5.817 -18.769   5.582
  182   HH22  ARG  24          2HH2      ARG  24  -7.515 -18.676   5.241
  183    H    ALA  25           H        ALA  25  -1.569 -10.904   5.193
  184    HA   ALA  25           HA       ALA  25  -2.610  -8.365   5.884
  185    HB1  ALA  25           3HB      ALA  25  -0.300  -9.051   6.354
  186    HB2  ALA  25           1HB      ALA  25  -0.325  -7.562   5.409
  187    HB3  ALA  25           2HB      ALA  25   0.055  -9.100   4.627
  188    H    LEU  26           H        LEU  26  -1.768  -9.888   2.845
  189    HA   LEU  26           HA       LEU  26  -1.743  -7.652   1.111
  190    HB2  LEU  26           2HB      LEU  26  -0.756  -9.931   0.610
  191    HB3  LEU  26           3HB      LEU  26  -2.385 -10.557   0.427
  192    HG   LEU  26           HG       LEU  26  -2.713  -8.945  -1.498
  193   HD11  LEU  26          1HD1      LEU  26   0.274  -8.486  -1.242
  194   HD12  LEU  26          2HD1      LEU  26  -0.990  -7.299  -0.913
  195   HD13  LEU  26          3HD1      LEU  26  -0.769  -7.913  -2.546
  196   HD21  LEU  26          3HD2      LEU  26  -2.177 -11.304  -1.913
  197   HD22  LEU  26          1HD2      LEU  26  -0.450 -10.947  -1.819
  198   HD23  LEU  26          2HD2      LEU  26  -1.427 -10.270  -3.125
  199    H    ALA  27           H        ALA  27  -4.169 -10.116   1.801
  200    HA   ALA  27           HA       ALA  27  -6.371  -9.264   0.375
  201    HB1  ALA  27           3HB      ALA  27  -6.235 -11.401   1.610
  202    HB2  ALA  27           1HB      ALA  27  -7.708 -10.523   2.022
  203    HB3  ALA  27           2HB      ALA  27  -6.344 -10.536   3.145
  204    H    LEU  28           H        LEU  28  -5.399  -8.256   3.678
  205    HA   LEU  28           HA       LEU  28  -7.625  -6.570   4.156
  206    HB2  LEU  28           2HB      LEU  28  -4.877  -6.660   5.435
  207    HB3  LEU  28           3HB      LEU  28  -6.139  -5.565   5.986
  208    HG   LEU  28           HG       LEU  28  -6.288  -8.609   6.013
  209   HD11  LEU  28          1HD1      LEU  28  -6.284  -8.398   8.460
  210   HD12  LEU  28          2HD1      LEU  28  -6.094  -6.648   8.320
  211   HD13  LEU  28          3HD1      LEU  28  -4.812  -7.723   7.760
  212   HD21  LEU  28          3HD2      LEU  28  -8.355  -6.577   6.933
  213   HD22  LEU  28          1HD2      LEU  28  -8.449  -8.324   7.171
  214   HD23  LEU  28          2HD2      LEU  28  -8.499  -7.657   5.545
  215    H    PHE  29           H        PHE  29  -4.422  -5.870   2.772
  216    HA   PHE  29           HA       PHE  29  -4.753  -3.030   2.704
  217    HB2  PHE  29           2HB      PHE  29  -2.847  -4.853   1.200
  218    HB3  PHE  29           3HB      PHE  29  -2.801  -3.102   1.086
  219    HD1  PHE  29           HD1      PHE  29  -3.056  -2.164   3.837
  220    HD2  PHE  29           HD2      PHE  29  -0.912  -5.545   2.319
  221    HE1  PHE  29           HE1      PHE  29  -1.483  -2.032   5.728
  222    HE2  PHE  29           HE2      PHE  29   0.643  -5.407   4.222
  223    HZ   PHE  29           HZ       PHE  29   0.361  -3.652   5.925
  224    H    GLU  30           H        GLU  30  -5.139  -5.581   0.228
  225    HA   GLU  30           HA       GLU  30  -5.963  -4.011  -1.942
  226    HB2  GLU  30           2HB      GLU  30  -6.632  -6.877  -1.174
  227    HB3  GLU  30           3HB      GLU  30  -7.090  -6.180  -2.720
  228    HG2  GLU  30           2HG      GLU  30  -4.709  -5.799  -3.259
  229    HG3  GLU  30           3HG      GLU  30  -4.252  -6.491  -1.703
  230    H    GLU  31           H        GLU  31  -7.794  -5.409   0.725
  231    HA   GLU  31           HA       GLU  31 -10.410  -4.679  -0.172
  232    HB2  GLU  31           2HB      GLU  31  -9.875  -6.562   1.405
  233    HB3  GLU  31           3HB      GLU  31  -9.432  -5.380   2.628
  234    HG2  GLU  31           2HG      GLU  31 -11.734  -4.563   2.720
  235    HG3  GLU  31           3HG      GLU  31 -12.199  -5.656   1.412
  236    H    LEU  32           H        LEU  32  -7.929  -3.193   1.806
  237    HA   LEU  32           HA       LEU  32  -9.355  -0.978   2.824
  238    HB2  LEU  32           2HB      LEU  32  -6.491  -1.728   2.465
  239    HB3  LEU  32           3HB      LEU  32  -6.787  -0.008   2.605
  240    HG   LEU  32           HG       LEU  32  -7.791  -1.982   4.678
  241   HD11  LEU  32          1HD1      LEU  32  -5.350  -2.209   4.543
  242   HD12  LEU  32          2HD1      LEU  32  -5.835  -1.422   6.042
  243   HD13  LEU  32          3HD1      LEU  32  -5.162  -0.461   4.722
  244   HD21  LEU  32          3HD2      LEU  32  -8.898   0.220   4.627
  245   HD22  LEU  32          1HD2      LEU  32  -7.327   1.023   4.767
  246   HD23  LEU  32          2HD2      LEU  32  -7.935   0.020   6.087
  247    H    VAL  33           H        VAL  33  -7.522  -1.434  -0.196
  248    HA   VAL  33           HA       VAL  33  -7.631   1.217  -1.129
  249    HB   VAL  33           HB       VAL  33  -7.354  -1.396  -2.689
  250   HG11  VAL  33          1HG1      VAL  33  -6.555  -0.040  -4.623
  251   HG12  VAL  33          2HG1      VAL  33  -6.997   1.439  -3.764
  252   HG13  VAL  33          3HG1      VAL  33  -8.247   0.290  -4.242
  253   HG21  VAL  33          3HG2      VAL  33  -5.505  -0.909  -1.152
  254   HG22  VAL  33          1HG2      VAL  33  -5.305   0.698  -1.852
  255   HG23  VAL  33          2HG2      VAL  33  -4.962  -0.739  -2.820
  256    H    GLU  34           H        GLU  34  -9.772  -1.569  -1.875
  257    HA   GLU  34           HA       GLU  34 -11.467  -0.148  -3.629
  258    HB2  GLU  34           2HB      GLU  34 -13.065  -2.047  -3.370
  259    HB3  GLU  34           3HB      GLU  34 -11.427  -2.554  -3.754
  260    HG2  GLU  34           2HG      GLU  34 -11.048  -3.226  -1.450
  261    HG3  GLU  34           3HG      GLU  34 -12.620  -2.590  -0.976
  262    H    THR  35           H        THR  35 -11.888  -0.805  -0.074
  263    HA   THR  35           HA       THR  35 -14.481   0.472  -0.048
  264    HB   THR  35           HB       THR  35 -14.441  -0.035   2.391
  265    HG1  THR  35           HG1      THR  35 -12.155   0.192   2.723
  266   HG21  THR  35          3HG2      THR  35 -15.216  -1.772   0.821
  267   HG22  THR  35          1HG2      THR  35 -14.398  -2.496   2.206
  268   HG23  THR  35          2HG2      THR  35 -13.567  -2.379   0.655
  269    H    ASP  36           H        ASP  36 -11.197   1.330   0.807
  270    HA   ASP  36           HA       ASP  36 -11.981   4.087   1.566
  271    HB2  ASP  36           2HB      ASP  36  -9.841   2.436   3.001
  272    HB3  ASP  36           3HB      ASP  36 -10.306   4.092   3.382
  273    HA   PRO  37           HA       PRO  37  -8.651   3.939  -1.764
  274    HB2  PRO  37           2HB      PRO  37 -10.201   6.122  -3.051
  275    HB3  PRO  37           3HB      PRO  37  -9.674   4.577  -3.723
  276    HG2  PRO  37           2HG      PRO  37 -12.283   5.079  -3.151
  277    HG3  PRO  37           3HG      PRO  37 -11.576   3.453  -3.012
  278    HD2  PRO  37           2HD      PRO  37 -12.150   5.465  -0.839
  279    HD3  PRO  37           3HD      PRO  37 -12.424   3.708  -0.847
  280    H    ASP  38           H        ASP  38 -10.041   6.388   0.213
  281    HA   ASP  38           HA       ASP  38  -8.222   8.533  -0.341
  282    HB2  ASP  38           2HB      ASP  38  -9.263   9.678   1.529
  283    HB3  ASP  38           3HB      ASP  38 -10.520   8.866   0.604
  284    H    TYR  39           H        TYR  39  -8.180   5.754   1.818
  285    HA   TYR  39           HA       TYR  39  -6.256   6.742   3.669
  286    HB2  TYR  39           2HB      TYR  39  -7.941   4.754   3.968
  287    HB3  TYR  39           3HB      TYR  39  -6.715   3.771   3.176
  288    HD1  TYR  39           HD2      TYR  39  -4.537   3.325   4.329
  289    HD2  TYR  39           HD1      TYR  39  -7.582   5.628   6.245
  290    HE1  TYR  39           HE2      TYR  39  -3.367   3.090   6.476
  291    HE2  TYR  39           HE1      TYR  39  -6.405   5.400   8.391
  292    HH   TYR  39           HH       TYR  39  -4.801   4.022   9.472
  293    H    VAL  40           H        VAL  40  -4.506   7.530   2.652
  294    HA   VAL  40           HA       VAL  40  -3.131   6.447   0.429
  295    HB   VAL  40           HB       VAL  40  -2.065   8.416   2.508
  296   HG11  VAL  40          1HG1      VAL  40  -0.607   9.245   0.681
  297   HG12  VAL  40          2HG1      VAL  40  -1.193   7.952  -0.363
  298   HG13  VAL  40          3HG1      VAL  40  -0.271   7.561   1.087
  299   HG21  VAL  40          3HG2      VAL  40  -3.578   9.025  -0.055
  300   HG22  VAL  40          1HG2      VAL  40  -2.886  10.216   1.048
  301   HG23  VAL  40          2HG2      VAL  40  -4.217   9.187   1.580
  302    H    GLY  41           H        GLY  41  -2.734   6.006   3.893
  303    HA2  GLY  41           2HA      GLY  41  -0.094   5.077   4.092
  304    HA3  GLY  41           3HA      GLY  41  -1.400   4.685   5.198
  305    H    THR  42           H        THR  42  -3.050   3.381   3.231
  306    HA   THR  42           HA       THR  42  -2.261   0.715   3.353
  307    HB   THR  42           HB       THR  42  -4.172   2.093   1.415
  308    HG1  THR  42           HG1      THR  42  -5.698   1.619   2.928
  309   HG21  THR  42          3HG2      THR  42  -3.516  -0.104   0.504
  310   HG22  THR  42          1HG2      THR  42  -5.182  -0.143   1.082
  311   HG23  THR  42          2HG2      THR  42  -3.897  -0.873   2.047
  312    H    TYR  43           H        TYR  43  -2.015   3.043   0.666
  313    HA   TYR  43           HA       TYR  43  -1.388   1.222  -1.362
  314    HB2  TYR  43           2HB      TYR  43  -0.914   4.220  -1.184
  315    HB3  TYR  43           3HB      TYR  43  -0.651   3.282  -2.658
  316    HD1  TYR  43           HD2      TYR  43  -2.547   2.343  -3.909
  317    HD2  TYR  43           HD1      TYR  43  -3.222   4.650  -0.375
  318    HE1  TYR  43           HE2      TYR  43  -4.909   2.570  -4.504
  319    HE2  TYR  43           HE1      TYR  43  -5.587   4.866  -0.979
  320    HH   TYR  43           HH       TYR  43  -6.960   4.781  -2.992
  321    H    TYR  44           H        TYR  44   0.820   3.307   0.546
  322    HA   TYR  44           HA       TYR  44   3.225   2.513  -0.489
  323    HB2  TYR  44           2HB      TYR  44   2.917   4.290   1.231
  324    HB3  TYR  44           3HB      TYR  44   2.628   3.054   2.453
  325    HD1  TYR  44           HD1      TYR  44   5.243   3.997  -0.113
  326    HD2  TYR  44           HD2      TYR  44   4.475   2.415   3.788
  327    HE1  TYR  44           HE1      TYR  44   7.665   3.880   0.327
  328    HE2  TYR  44           HE2      TYR  44   6.883   2.303   4.218
  329    HH   TYR  44           HH       TYR  44   9.188   3.825   2.284
  330    H    HIS  45           H        HIS  45   1.762   1.020   2.435
  331    HA   HIS  45           HA       HIS  45   3.643  -1.066   2.697
  332    HB2  HIS  45           2HB      HIS  45   0.810  -0.854   3.786
  333    HB3  HIS  45           3HB      HIS  45   1.924  -2.144   4.236
  334    HD1  HIS  45           HD1      HIS  45   2.903  -1.676   6.457
  335    HD2  HIS  45           HD2      HIS  45   2.366   1.797   4.245
  336    HE1  HIS  45           HE1      HIS  45   3.695   0.201   7.928
  337    HE2  HIS  45           HE2      HIS  45   3.178   2.293   6.637
  338    H    LEU  46           H        LEU  46   0.671  -0.960   0.853
  339    HA   LEU  46           HA       LEU  46   0.412  -3.757   0.326
  340    HB2  LEU  46           2HB      LEU  46  -1.506  -2.253   0.164
  341    HB3  LEU  46           3HB      LEU  46  -0.716  -1.319  -1.094
  342    HG   LEU  46           HG       LEU  46  -0.960  -3.137  -2.702
  343   HD11  LEU  46          1HD1      LEU  46  -2.055  -5.260  -2.213
  344   HD12  LEU  46          2HD1      LEU  46  -2.216  -4.823  -0.514
  345   HD13  LEU  46          3HD1      LEU  46  -0.617  -5.072  -1.213
  346   HD21  LEU  46          3HD2      LEU  46  -3.418  -3.274  -2.857
  347   HD22  LEU  46          1HD2      LEU  46  -2.871  -1.641  -2.480
  348   HD23  LEU  46          2HD2      LEU  46  -3.556  -2.658  -1.209
  349    H    GLY  47           H        GLY  47   1.894  -1.007  -1.399
  350    HA2  GLY  47           2HA      GLY  47   2.663  -2.483  -3.736
  351    HA3  GLY  47           3HA      GLY  47   3.206  -0.879  -3.266
  352    H    LYS  48           H        LYS  48   4.198  -1.606  -0.679
  353    HA   LYS  48           HA       LYS  48   6.854  -2.400  -1.197
  354    HB2  LYS  48           2HB      LYS  48   5.320  -2.360   1.445
  355    HB3  LYS  48           3HB      LYS  48   7.063  -2.576   1.317
  356    HG2  LYS  48           2HG      LYS  48   5.543  -0.098   0.439
  357    HG3  LYS  48           3HG      LYS  48   6.409  -0.267   1.963
  358    HD2  LYS  48           2HD      LYS  48   7.706  -0.466  -0.785
  359    HD3  LYS  48           3HD      LYS  48   7.658   1.007   0.186
  360    HE2  LYS  48           2HE      LYS  48   8.965  -1.593   1.037
  361    HE3  LYS  48           3HE      LYS  48   9.811  -0.194   0.377
  362    HZ1  LYS  48           3HZ      LYS  48   9.170   1.100   2.259
  363    HZ2  LYS  48           1HZ      LYS  48   9.880  -0.330   2.812
  364    HZ3  LYS  48           2HZ      LYS  48   8.202  -0.148   2.871
  365    H    LEU  49           H        LEU  49   4.023  -4.092   0.006
  366    HA   LEU  49           HA       LEU  49   5.245  -6.616   0.533
  367    HB2  LEU  49           2HB      LEU  49   3.149  -5.952   1.597
  368    HB3  LEU  49           3HB      LEU  49   2.347  -5.839   0.041
  369    HG   LEU  49           HG       LEU  49   2.377  -8.256  -0.240
  370   HD11  LEU  49          1HD1      LEU  49   4.567  -8.797   0.724
  371   HD12  LEU  49          2HD1      LEU  49   3.307  -9.798   1.439
  372   HD13  LEU  49          3HD1      LEU  49   3.964  -8.433   2.344
  373   HD21  LEU  49          3HD2      LEU  49   0.536  -7.335   1.095
  374   HD22  LEU  49          1HD2      LEU  49   1.481  -7.529   2.574
  375   HD23  LEU  49          2HD2      LEU  49   0.963  -8.946   1.659
  376    H    TYR  50           H        TYR  50   3.539  -5.217  -2.268
  377    HA   TYR  50           HA       TYR  50   3.558  -7.459  -3.980
  378    HB2  TYR  50           2HB      TYR  50   3.441  -4.471  -4.470
  379    HB3  TYR  50           3HB      TYR  50   3.573  -5.574  -5.835
  380    HD1  TYR  50           HD2      TYR  50   1.815  -7.817  -4.865
  381    HD2  TYR  50           HD1      TYR  50   1.229  -3.582  -4.780
  382    HE1  TYR  50           HE2      TYR  50  -0.602  -8.149  -4.940
  383    HE2  TYR  50           HE1      TYR  50  -1.209  -3.934  -4.864
  384    HH   TYR  50           HH       TYR  50  -2.800  -5.649  -5.586
  385    H    GLU  51           H        GLU  51   6.000  -4.922  -3.452
  386    HA   GLU  51           HA       GLU  51   7.862  -5.626  -5.422
  387    HB2  GLU  51           2HB      GLU  51   8.291  -4.408  -2.665
  388    HB3  GLU  51           3HB      GLU  51   9.571  -4.553  -3.864
  389    HG2  GLU  51           2HG      GLU  51   8.156  -3.138  -5.420
  390    HG3  GLU  51           3HG      GLU  51   7.054  -2.879  -4.067
  391    H    ARG  52           H        ARG  52   7.341  -6.913  -2.188
  392    HA   ARG  52           HA       ARG  52   9.653  -8.606  -2.041
  393    HB2  ARG  52           2HB      ARG  52   7.057  -8.625  -0.442
  394    HB3  ARG  52           3HB      ARG  52   8.496  -9.558  -0.032
  395    HG2  ARG  52           2HG      ARG  52   9.766  -7.454   0.262
  396    HG3  ARG  52           3HG      ARG  52   8.312  -6.532  -0.121
  397    HD2  ARG  52           2HD      ARG  52   7.183  -7.465   1.843
  398    HD3  ARG  52           3HD      ARG  52   8.615  -8.438   2.216
  399    HE   ARG  52           HE       ARG  52   9.201  -5.638   2.040
  400   HH11  ARG  52          1HH1      ARG  52   7.997  -8.134   4.193
  401   HH12  ARG  52          2HH1      ARG  52   8.341  -7.222   5.626
  402   HH21  ARG  52          1HH2      ARG  52   9.632  -4.465   3.937
  403   HH22  ARG  52          2HH2      ARG  52   9.262  -5.165   5.479
  404    H    LEU  53           H        LEU  53   6.326  -9.045  -3.102
  405    HA   LEU  53           HA       LEU  53   6.544 -11.936  -3.447
  406    HB2  LEU  53           2HB      LEU  53   4.319 -10.031  -4.288
  407    HB3  LEU  53           3HB      LEU  53   4.207 -11.781  -4.205
  408    HG   LEU  53           HG       LEU  53   4.514  -9.906  -1.825
  409   HD11  LEU  53          1HD1      LEU  53   2.098 -11.510  -2.715
  410   HD12  LEU  53          2HD1      LEU  53   2.284  -9.758  -2.826
  411   HD13  LEU  53          3HD1      LEU  53   2.215 -10.533  -1.247
  412   HD21  LEU  53          3HD2      LEU  53   4.196 -12.927  -1.835
  413   HD22  LEU  53          1HD2      LEU  53   4.157 -11.892  -0.402
  414   HD23  LEU  53          2HD2      LEU  53   5.635 -12.028  -1.351
  415    H    ASP  54           H        ASP  54   8.058  -9.689  -5.108
  416    HA   ASP  54           HA       ASP  54   8.709  -9.123  -7.175
  417    HB2  ASP  54           2HB      ASP  54   9.447 -11.542  -7.085
  418    HB3  ASP  54           3HB      ASP  54   7.976 -11.980  -7.943
  419    H    ARG  55           H        ARG  55   5.758  -9.034  -6.492
  420    HA   ARG  55           HA       ARG  55   4.398  -8.903  -9.072
  421    HB2  ARG  55           2HB      ARG  55   3.474  -8.138  -6.260
  422    HB3  ARG  55           3HB      ARG  55   2.445  -8.162  -7.686
  423    HG2  ARG  55           2HG      ARG  55   3.791 -10.594  -6.463
  424    HG3  ARG  55           3HG      ARG  55   2.108 -10.122  -6.215
  425    HD2  ARG  55           2HD      ARG  55   3.374 -10.916  -8.860
  426    HD3  ARG  55           3HD      ARG  55   2.268 -11.900  -7.893
  427    HE   ARG  55           HE       ARG  55   1.431  -9.284  -8.973
  428   HH11  ARG  55          1HH1      ARG  55   0.900 -12.736  -8.788
  429   HH12  ARG  55          2HH1      ARG  55  -0.636 -12.653  -9.584
  430   HH21  ARG  55          1HH2      ARG  55  -0.549  -9.172  -9.999
  431   HH22  ARG  55          2HH2      ARG  55  -1.455 -10.624 -10.294
  432    H    THR  56           H        THR  56   6.407  -7.408  -9.465
  433    HA   THR  56           HA       THR  56   6.622  -4.854  -8.300
  434    HB   THR  56           HB       THR  56   7.737  -5.888 -10.946
  435    HG1  THR  56           HG1      THR  56   8.708  -7.184  -9.558
  436   HG21  THR  56          3HG2      THR  56   8.715  -3.605  -9.189
  437   HG22  THR  56          1HG2      THR  56   7.933  -3.425 -10.762
  438   HG23  THR  56          2HG2      THR  56   9.510  -4.204 -10.643
  439    H    ASP  57           H        ASP  57   5.032  -6.063 -11.221
  440    HA   ASP  57           HA       ASP  57   4.340  -3.623 -12.470
  441    HB2  ASP  57           2HB      ASP  57   4.219  -5.853 -13.586
  442    HB3  ASP  57           3HB      ASP  57   2.881  -6.310 -12.543
  443    H    ASP  58           H        ASP  58   2.708  -5.626 -10.076
  444    HA   ASP  58           HA       ASP  58   0.303  -4.140  -9.783
  445    HB2  ASP  58           2HB      ASP  58   1.696  -5.958  -7.759
  446    HB3  ASP  58           3HB      ASP  58   0.014  -5.433  -7.682
  447    H    ALA  59           H        ALA  59   3.458  -4.062  -8.163
  448    HA   ALA  59           HA       ALA  59   2.924  -2.282  -6.069
  449    HB1  ALA  59           3HB      ALA  59   5.539  -2.646  -7.575
  450    HB2  ALA  59           1HB      ALA  59   5.007  -3.595  -6.185
  451    HB3  ALA  59           2HB      ALA  59   5.359  -1.878  -5.996
  452    H    ILE  60           H        ILE  60   4.136  -1.637  -9.375
  453    HA   ILE  60           HA       ILE  60   4.409   1.155  -9.246
  454    HB   ILE  60           HB       ILE  60   3.622  -0.452 -11.727
  455   HG12  ILE  60          2HG1      ILE  60   5.636  -1.469 -10.787
  456   HG13  ILE  60          3HG1      ILE  60   6.087  -0.575 -12.227
  457   HG21  ILE  60          1HG2      ILE  60   4.723   1.357 -13.013
  458   HG22  ILE  60          2HG2      ILE  60   5.020   2.241 -11.516
  459   HG23  ILE  60          3HG2      ILE  60   3.368   1.962 -12.062
  460   HD11  ILE  60          3HD1      ILE  60   7.726  -0.298 -10.494
  461   HD12  ILE  60          1HD1      ILE  60   6.506   0.302  -9.372
  462   HD13  ILE  60          2HD1      ILE  60   6.931   1.244 -10.807
  463    H    ASP  61           H        ASP  61   1.661  -0.878 -10.084
  464    HA   ASP  61           HA       ASP  61  -0.157   1.126 -10.926
  465    HB2  ASP  61           2HB      ASP  61  -0.338  -1.337 -11.450
  466    HB3  ASP  61           3HB      ASP  61  -0.791  -1.635  -9.779
  467    H    THR  62           H        THR  62   0.392  -0.470  -7.795
  468    HA   THR  62           HA       THR  62  -1.802   0.647  -6.378
  469    HB   THR  62           HB       THR  62   0.825  -0.479  -5.288
  470    HG1  THR  62           HG1      THR  62  -0.726  -1.822  -6.647
  471   HG21  THR  62          3HG2      THR  62  -0.436  -0.903  -3.209
  472   HG22  THR  62          1HG2      THR  62  -1.851  -0.102  -3.889
  473   HG23  THR  62          2HG2      THR  62  -0.382   0.823  -3.565
  474    H    TYR  63           H        TYR  63   1.625   1.535  -6.620
  475    HA   TYR  63           HA       TYR  63   1.591   3.772  -4.896
  476    HB2  TYR  63           2HB      TYR  63   3.464   3.083  -7.193
  477    HB3  TYR  63           3HB      TYR  63   3.727   4.440  -6.095
  478    HD1  TYR  63           HD2      TYR  63   3.010   3.268  -3.467
  479    HD2  TYR  63           HD1      TYR  63   5.231   1.556  -6.691
  480    HE1  TYR  63           HE2      TYR  63   4.194   1.821  -1.887
  481    HE2  TYR  63           HE1      TYR  63   6.414   0.109  -5.098
  482    HH   TYR  63           HH       TYR  63   6.955   0.014  -2.795
  483    H    ALA  64           H        ALA  64   1.090   3.477  -8.410
  484    HA   ALA  64           HA       ALA  64   0.842   6.172  -9.119
  485    HB1  ALA  64           3HB      ALA  64   1.034   4.356 -10.764
  486    HB2  ALA  64           1HB      ALA  64  -0.389   5.348 -11.098
  487    HB3  ALA  64           2HB      ALA  64  -0.570   3.769 -10.326
  488    H    GLN  65           H        GLN  65  -1.699   3.854  -8.186
  489    HA   GLN  65           HA       GLN  65  -3.928   5.569  -8.117
  490    HB2  GLN  65           2HB      GLN  65  -3.245   2.974  -6.695
  491    HB3  GLN  65           3HB      GLN  65  -4.765   3.794  -6.363
  492    HG2  GLN  65           2HG      GLN  65  -4.058   3.199  -9.222
  493    HG3  GLN  65           3HG      GLN  65  -4.602   1.880  -8.193
  494   HE21  GLN  65          1HE2      GLN  65  -5.885   5.157  -7.782
  495   HE22  GLN  65          2HE2      GLN  65  -7.462   4.797  -8.366
  496    H    GLY  66           H        GLY  66  -1.549   4.737  -5.679
  497    HA2  GLY  66           2HA      GLY  66  -2.450   6.172  -3.487
  498    HA3  GLY  66           3HA      GLY  66  -0.777   5.767  -3.828
  499    H    ILE  67           H        ILE  67  -0.392   7.268  -6.178
  500    HA   ILE  67           HA       ILE  67   0.488   9.723  -5.141
  501    HB   ILE  67           HB       ILE  67   0.083   8.777  -8.012
  502   HG12  ILE  67          2HG1      ILE  67   2.677   9.164  -6.428
  503   HG13  ILE  67          3HG1      ILE  67   1.837   7.629  -6.590
  504   HG21  ILE  67          1HG2      ILE  67   1.513  11.339  -7.198
  505   HG22  ILE  67          2HG2      ILE  67  -0.026  11.244  -8.047
  506   HG23  ILE  67          3HG2      ILE  67   1.441  10.664  -8.829
  507   HD11  ILE  67          3HD1      ILE  67   3.728   7.783  -8.083
  508   HD12  ILE  67          1HD1      ILE  67   3.044   9.216  -8.848
  509   HD13  ILE  67          2HD1      ILE  67   2.226   7.657  -8.997
  510    H    GLU  68           H        GLU  68  -2.435   8.893  -6.939
  511    HA   GLU  68           HA       GLU  68  -3.462  11.470  -7.467
  512    HB2  GLU  68           2HB      GLU  68  -5.014   8.887  -6.974
  513    HB3  GLU  68           3HB      GLU  68  -5.616  10.310  -7.820
  514    HG2  GLU  68           2HG      GLU  68  -3.949   9.936  -9.617
  515    HG3  GLU  68           3HG      GLU  68  -3.356   8.514  -8.757
  516    H    VAL  69           H        VAL  69  -4.037   9.191  -4.810
  517    HA   VAL  69           HA       VAL  69  -5.822  11.009  -3.404
  518    HB   VAL  69           HB       VAL  69  -6.152   9.231  -1.783
  519   HG11  VAL  69          1HG1      VAL  69  -6.164   8.143  -4.624
  520   HG12  VAL  69          2HG1      VAL  69  -7.438   9.096  -3.863
  521   HG13  VAL  69          3HG1      VAL  69  -7.080   7.477  -3.268
  522   HG21  VAL  69          3HG2      VAL  69  -5.008   7.053  -1.909
  523   HG22  VAL  69          1HG2      VAL  69  -3.854   8.351  -1.603
  524   HG23  VAL  69          2HG2      VAL  69  -3.981   7.647  -3.217
  525    H    ALA  70           H        ALA  70  -2.439  10.418  -3.434
  526    HA   ALA  70           HA       ALA  70  -1.853  10.927  -0.670
  527    HB1  ALA  70           3HB      ALA  70   0.003  11.001  -3.063
  528    HB2  ALA  70           1HB      ALA  70  -0.359   9.581  -2.080
  529    HB3  ALA  70           2HB      ALA  70   0.491  10.952  -1.365
  530    H    ARG  71           H        ARG  71  -1.659  12.852  -3.654
  531    HA   ARG  71           HA       ARG  71  -0.645  15.205  -2.455
  532    HB2  ARG  71           2HB      ARG  71  -1.295  16.343  -4.563
  533    HB3  ARG  71           3HB      ARG  71  -0.429  14.839  -4.845
  534    HG2  ARG  71           2HG      ARG  71  -2.695  13.737  -5.209
  535    HG3  ARG  71           3HG      ARG  71  -3.393  15.359  -5.201
  536    HD2  ARG  71           2HD      ARG  71  -1.322  14.276  -7.135
  537    HD3  ARG  71           3HD      ARG  71  -3.019  14.612  -7.485
  538    HE   ARG  71           HE       ARG  71  -1.986  17.012  -6.630
  539   HH11  ARG  71          1HH1      ARG  71  -1.285  14.788  -9.262
  540   HH12  ARG  71          2HH1      ARG  71  -0.618  16.025 -10.279
  541   HH21  ARG  71          1HH2      ARG  71  -1.102  18.624  -8.013
  542   HH22  ARG  71          2HH2      ARG  71  -0.531  18.177  -9.593
  543    H    GLU  72           H        GLU  72  -4.013  14.100  -2.929
  544    HA   GLU  72           HA       GLU  72  -5.076  16.645  -1.927
  545    HB2  GLU  72           2HB      GLU  72  -6.489  14.142  -2.920
  546    HB3  GLU  72           3HB      GLU  72  -7.327  15.576  -2.333
  547    HG2  GLU  72           2HG      GLU  72  -6.176  16.906  -4.130
  548    HG3  GLU  72           3HG      GLU  72  -5.520  15.398  -4.761
  549    H    GLU  73           H        GLU  73  -5.270  13.204  -0.931
  550    HA   GLU  73           HA       GLU  73  -6.710  13.890   1.492
  551    HB2  GLU  73           2HB      GLU  73  -5.811  11.164   0.486
  552    HB3  GLU  73           3HB      GLU  73  -6.934  11.447   1.814
  553    HG2  GLU  73           2HG      GLU  73  -7.390  12.201  -1.093
  554    HG3  GLU  73           3HG      GLU  73  -8.092  10.810  -0.268
  555    H    GLY  74           H        GLY  74  -3.470  12.588   0.688
  556    HA2  GLY  74           2HA      GLY  74  -2.683  12.579   3.525
  557    HA3  GLY  74           3HA      GLY  74  -1.744  11.996   2.154
  558    H    THR  75           H        THR  75  -0.026  13.301   3.307
  559    HA   THR  75           HA       THR  75  -0.075  16.169   2.588
  560    HB   THR  75           HB       THR  75   2.001  16.349   3.916
  561    HG1  THR  75           HG1      THR  75   1.799  13.549   3.963
  562   HG21  THR  75          3HG2      THR  75  -0.125  16.573   5.148
  563   HG22  THR  75          1HG2      THR  75   1.118  15.832   6.157
  564   HG23  THR  75          2HG2      THR  75  -0.145  14.833   5.442
  565    H    GLN  76           H        GLN  76   2.208  16.962   1.755
  566    HA   GLN  76           HA       GLN  76   2.773  15.858  -0.783
  567    HB2  GLN  76           2HB      GLN  76   3.230  18.229  -0.233
  568    HB3  GLN  76           3HB      GLN  76   4.478  17.745   0.910
  569    HG2  GLN  76           2HG      GLN  76   5.821  16.820  -0.951
  570    HG3  GLN  76           3HG      GLN  76   4.566  17.288  -2.094
  571   HE21  GLN  76          1HE2      GLN  76   4.321  19.483  -2.619
  572   HE22  GLN  76          2HE2      GLN  76   5.550  20.647  -2.279
  573    H    LYS  77           H        LYS  77   4.068  15.158   2.387
  574    HA   LYS  77           HA       LYS  77   6.441  13.786   1.746
  575    HB2  LYS  77           2HB      LYS  77   5.861  14.386   4.066
  576    HB3  LYS  77           3HB      LYS  77   4.471  13.306   4.022
  577    HG2  LYS  77           2HG      LYS  77   6.045  11.371   3.715
  578    HG3  LYS  77           3HG      LYS  77   7.397  12.487   3.928
  579    HD2  LYS  77           2HD      LYS  77   6.616  13.012   6.208
  580    HD3  LYS  77           3HD      LYS  77   5.214  11.963   5.984
  581    HE2  LYS  77           2HE      LYS  77   6.758  10.018   5.700
  582    HE3  LYS  77           3HE      LYS  77   8.120  11.086   6.037
  583    HZ1  LYS  77           3HZ      LYS  77   5.896  10.428   7.889
  584    HZ2  LYS  77           1HZ      LYS  77   7.138  11.535   8.211
  585    HZ3  LYS  77           2HZ      LYS  77   7.499   9.901   8.000
  586    H    ASP  78           H        ASP  78   3.098  12.622   2.134
  587    HA   ASP  78           HA       ASP  78   3.557   9.857   1.661
  588    HB2  ASP  78           2HB      ASP  78   1.004  11.492   1.315
  589    HB3  ASP  78           3HB      ASP  78   1.071   9.732   1.250
  590    H    LEU  79           H        LEU  79   2.587  12.524  -0.417
  591    HA   LEU  79           HA       LEU  79   2.266  11.251  -2.879
  592    HB2  LEU  79           2HB      LEU  79   1.657  13.599  -2.445
  593    HB3  LEU  79           3HB      LEU  79   3.347  14.020  -2.214
  594    HG   LEU  79           HG       LEU  79   3.784  13.519  -4.625
  595   HD11  LEU  79          1HD1      LEU  79   1.903  13.221  -6.183
  596   HD12  LEU  79          2HD1      LEU  79   0.787  13.104  -4.818
  597   HD13  LEU  79          3HD1      LEU  79   2.038  11.877  -5.050
  598   HD21  LEU  79          3HD2      LEU  79   3.312  15.821  -3.909
  599   HD22  LEU  79          1HD2      LEU  79   1.583  15.562  -4.160
  600   HD23  LEU  79          2HD2      LEU  79   2.695  15.525  -5.531
  601    H    SER  80           H        SER  80   5.156  12.645  -1.391
  602    HA   SER  80           HA       SER  80   6.982  12.148  -3.487
  603    HB2  SER  80           2HB      SER  80   7.362  13.871  -1.757
  604    HB3  SER  80           3HB      SER  80   7.491  12.620  -0.520
  605    HG   SER  80           HG       SER  80   9.477  12.276  -1.099
  606    H    GLU  81           H        GLU  81   5.960  10.199  -0.703
  607    HA   GLU  81           HA       GLU  81   8.051   8.283  -0.758
  608    HB2  GLU  81           2HB      GLU  81   5.207   7.967   0.306
  609    HB3  GLU  81           3HB      GLU  81   6.528   6.843   0.618
  610    HG2  GLU  81           2HG      GLU  81   6.254   9.691   1.593
  611    HG3  GLU  81           3HG      GLU  81   6.225   8.221   2.553
  612    H    LEU  82           H        LEU  82   4.824   8.368  -2.196
  613    HA   LEU  82           HA       LEU  82   4.899   5.678  -3.211
  614    HB2  LEU  82           2HB      LEU  82   3.016   7.989  -3.796
  615    HB3  LEU  82           3HB      LEU  82   2.725   6.310  -4.245
  616    HG   LEU  82           HG       LEU  82   3.071   7.251  -1.367
  617   HD11  LEU  82          1HD1      LEU  82   0.489   6.648  -2.798
  618   HD12  LEU  82          2HD1      LEU  82   1.058   8.244  -2.312
  619   HD13  LEU  82          3HD1      LEU  82   0.674   7.038  -1.088
  620   HD21  LEU  82          3HD2      LEU  82   2.098   4.596  -2.467
  621   HD22  LEU  82          1HD2      LEU  82   2.141   5.052  -0.762
  622   HD23  LEU  82          2HD2      LEU  82   3.643   4.892  -1.668
  623    H    GLN  83           H        GLN  83   5.534   8.864  -4.569
  624    HA   GLN  83           HA       GLN  83   5.893   8.099  -7.293
  625    HB2  GLN  83           2HB      GLN  83   6.995  10.452  -5.698
  626    HB3  GLN  83           3HB      GLN  83   7.196  10.276  -7.441
  627    HG2  GLN  83           2HG      GLN  83   4.818  10.447  -7.806
  628    HG3  GLN  83           3HG      GLN  83   4.492  10.390  -6.078
  629   HE21  GLN  83          1HE2      GLN  83   6.618  12.242  -5.343
  630   HE22  GLN  83          2HE2      GLN  83   6.113  13.805  -5.865
  631    H    ASP  84           H        ASP  84   8.100   8.498  -4.544
  632    HA   ASP  84           HA       ASP  84  10.536   7.844  -5.804
  633    HB2  ASP  84           2HB      ASP  84  10.379   8.968  -3.594
  634    HB3  ASP  84           3HB      ASP  84   9.720   7.502  -2.879
  635    H    ALA  85           H        ALA  85   8.118   5.877  -4.131
  636    HA   ALA  85           HA       ALA  85   9.670   3.539  -3.889
  637    HB1  ALA  85           3HB      ALA  85   7.795   4.071  -2.382
  638    HB2  ALA  85           1HB      ALA  85   7.617   2.471  -3.108
  639    HB3  ALA  85           2HB      ALA  85   6.660   3.828  -3.711
  640    H    LYS  86           H        LYS  86   7.180   4.517  -6.264
  641    HA   LYS  86           HA       LYS  86   7.263   2.078  -7.716
  642    HB2  LYS  86           2HB      LYS  86   6.066   3.219  -9.521
  643    HB3  LYS  86           3HB      LYS  86   5.349   3.559  -7.955
  644    HG2  LYS  86           2HG      LYS  86   6.303   5.787  -7.925
  645    HG3  LYS  86           3HG      LYS  86   7.205   5.466  -9.409
  646    HD2  LYS  86           2HD      LYS  86   4.169   5.534  -9.169
  647    HD3  LYS  86           3HD      LYS  86   5.173   6.840  -9.804
  648    HE2  LYS  86           2HE      LYS  86   5.958   5.319 -11.605
  649    HE3  LYS  86           3HE      LYS  86   4.877   4.063 -10.998
  650    HZ1  LYS  86           3HZ      LYS  86   3.000   5.529 -11.462
  651    HZ2  LYS  86           1HZ      LYS  86   3.914   5.252 -12.858
  652    HZ3  LYS  86           2HZ      LYS  86   4.053   6.717 -12.034
  653    H    LEU  87           H        LEU  87   9.164   5.131  -8.140
  654    HA   LEU  87           HA       LEU  87  10.246   4.297 -10.652
  655    HB2  LEU  87           2HB      LEU  87  11.821   6.193 -10.464
  656    HB3  LEU  87           3HB      LEU  87  10.153   6.643 -10.196
  657    HG   LEU  87           HG       LEU  87  10.752   6.566  -7.657
  658   HD11  LEU  87          1HD1      LEU  87  13.563   6.848  -8.751
  659   HD12  LEU  87          2HD1      LEU  87  12.941   5.506  -7.789
  660   HD13  LEU  87          3HD1      LEU  87  13.068   7.109  -7.076
  661   HD21  LEU  87          3HD2      LEU  87  11.848   8.784  -9.418
  662   HD22  LEU  87          1HD2      LEU  87  11.503   8.911  -7.688
  663   HD23  LEU  87          2HD2      LEU  87  10.190   8.631  -8.827
  664    H    LYS  88           H        LYS  88  11.382   3.891  -7.311
  665    HA   LYS  88           HA       LYS  88  13.799   2.573  -8.123
  666    HB2  LYS  88           2HB      LYS  88  14.127   2.038  -5.740
  667    HB3  LYS  88           3HB      LYS  88  13.800   3.732  -6.028
  668    HG2  LYS  88           2HG      LYS  88  12.541   3.438  -4.147
  669    HG3  LYS  88           3HG      LYS  88  11.323   3.052  -5.360
  670    HD2  LYS  88           2HD      LYS  88  11.612   0.676  -4.980
  671    HD3  LYS  88           3HD      LYS  88  13.012   0.962  -3.945
  672    HE2  LYS  88           2HE      LYS  88  11.498   2.180  -2.342
  673    HE3  LYS  88           3HE      LYS  88  10.129   1.700  -3.346
  674    HZ1  LYS  88           3HZ      LYS  88  12.005  -0.179  -2.028
  675    HZ2  LYS  88           1HZ      LYS  88  10.619  -0.587  -2.901
  676    HZ3  LYS  88           2HZ      LYS  88  10.481   0.236  -1.438
  677    H    ALA  89           H        ALA  89  10.533   1.392  -7.210
  678    HA   ALA  89           HA       ALA  89  10.998  -1.333  -7.174
  679    HB1  ALA  89           3HB      ALA  89   8.860  -0.303  -6.522
  680    HB2  ALA  89           1HB      ALA  89   8.608  -1.606  -7.688
  681    HB3  ALA  89           2HB      ALA  89   8.519   0.079  -8.210
  682    H    GLU  90           H        GLU  90  10.587   0.776  -9.980
  683    HA   GLU  90           HA       GLU  90  10.305  -0.922 -12.107
  684    HB2  GLU  90           2HB      GLU  90  12.058   1.563 -11.905
  685    HB3  GLU  90           3HB      GLU  90  11.682   0.783 -13.434
  686    HG2  GLU  90           2HG      GLU  90   9.527   1.819 -11.581
  687    HG3  GLU  90           3HG      GLU  90  10.302   2.839 -12.788
  688    H    GLY  91           H        GLY  91  13.119  -0.704 -10.095
  689    HA2  GLY  91           2HA      GLY  91  14.925  -2.026 -12.024
  690    HA3  GLY  91           3HA      GLY  91  15.384  -1.271 -10.507
  691    H    LEU  92           H        LEU  92  12.645  -3.387 -10.344
  692    HA   LEU  92           HA       LEU  92  14.206  -5.311  -8.761
  693    HB2  LEU  92           2HB      LEU  92  11.218  -4.908  -9.095
  694    HB3  LEU  92           3HB      LEU  92  11.906  -6.241  -8.177
  695    HG   LEU  92           HG       LEU  92  12.321  -3.300  -7.522
  696   HD11  LEU  92          1HD1      LEU  92  10.792  -3.680  -5.648
  697   HD12  LEU  92          2HD1      LEU  92  10.506  -5.333  -6.197
  698   HD13  LEU  92          3HD1      LEU  92   9.992  -3.968  -7.192
  699   HD21  LEU  92          3HD2      LEU  92  13.091  -5.791  -5.949
  700   HD22  LEU  92          1HD2      LEU  92  13.270  -4.122  -5.397
  701   HD23  LEU  92          2HD2      LEU  92  14.207  -4.698  -6.773
  702    H    GLU  93           H        GLU  93  11.385  -5.915 -10.894
  703    HA   GLU  93           HA       GLU  93  12.035  -8.618 -11.237
  704    HB2  GLU  93           2HB      GLU  93  10.213  -8.679 -12.920
  705    HB3  GLU  93           3HB      GLU  93   9.734  -7.858 -11.440
  706    HG2  GLU  93           2HG      GLU  93   9.880  -5.692 -12.497
  707    HG3  GLU  93           3HG      GLU  93  10.624  -6.380 -13.937
  708    H    HIS  94           H        HIS  94  12.454  -5.879 -13.445
  709    HA   HIS  94           HA       HIS  94  14.710  -7.144 -14.795
  710    HB2  HIS  94           2HB      HIS  94  12.279  -6.135 -16.373
  711    HB3  HIS  94           3HB      HIS  94  13.821  -6.588 -17.085
  712    HD1  HIS  94           HD1      HIS  94  14.362  -9.128 -17.232
  713    HD2  HIS  94           HD2      HIS  94  10.579  -8.286 -15.737
  714    HE1  HIS  94           HE1      HIS  94  13.122 -11.304 -17.288
  715    HE2  HIS  94           HE2      HIS  94  10.890 -10.799 -16.241
  716    H    HIS  95           H        HIS  95  16.258  -5.595 -14.914
  717    HA   HIS  95           HA       HIS  95  15.779  -2.774 -14.650
  718    HB2  HIS  95           2HB      HIS  95  18.257  -4.321 -15.544
  719    HB3  HIS  95           3HB      HIS  95  18.221  -2.572 -15.307
  720    HD1  HIS  95           HD1      HIS  95  18.740  -5.724 -13.504
  721    HD2  HIS  95           HD2      HIS  95  17.697  -1.817 -12.551
  722    HE1  HIS  95           HE1      HIS  95  19.122  -5.506 -11.032
  723    HE2  HIS  95           HE2      HIS  95  18.290  -3.203 -10.458
  724    H    HIS  96           H        HIS  96  14.625  -1.814 -16.212
  725    HA   HIS  96           HA       HIS  96  13.685  -3.032 -18.445
  726    HB2  HIS  96           2HB      HIS  96  13.791  -0.074 -17.790
  727    HB3  HIS  96           3HB      HIS  96  12.923  -0.695 -19.194
  728    HD1  HIS  96           HD1      HIS  96  12.484  -0.030 -15.642
  729    HD2  HIS  96           HD2      HIS  96  10.835  -2.646 -18.416
  730    HE1  HIS  96           HE1      HIS  96  10.361  -0.864 -14.608
  731    HE2  HIS  96           HE2      HIS  96   9.290  -2.285 -16.384
  732    H    HIS  97           H        HIS  97  14.993  -3.931 -19.819
  733    HA   HIS  97           HA       HIS  97  16.828  -2.323 -21.501
  734    HB2  HIS  97           2HB      HIS  97  17.941  -4.113 -20.135
  735    HB3  HIS  97           3HB      HIS  97  16.879  -5.319 -20.842
  736    HD1  HIS  97           HD1      HIS  97  20.028  -3.493 -21.402
  737    HD2  HIS  97           HD2      HIS  97  17.454  -5.878 -23.638
  738    HE1  HIS  97           HE1      HIS  97  21.327  -4.170 -23.443
  739    HE2  HIS  97           HE2      HIS  97  19.719  -5.517 -24.828
  740    H    HIS  98           H        HIS  98  15.343  -1.726 -23.085
  741    HA   HIS  98           HA       HIS  98  13.425  -3.632 -24.168
  742    HB2  HIS  98           2HB      HIS  98  12.870  -1.181 -23.786
  743    HB3  HIS  98           3HB      HIS  98  13.978  -0.769 -25.090
  744    HD1  HIS  98           HD1      HIS  98  10.518  -1.687 -24.428
  745    HD2  HIS  98           HD2      HIS  98  13.076  -1.876 -27.696
  746    HE1  HIS  98           HE1      HIS  98   9.038  -2.024 -26.426
  747    HE2  HIS  98           HE2      HIS  98  10.630  -2.381 -28.333
  748    H    HIS  99           H        HIS  99  14.699  -5.193 -25.186
  749    HA   HIS  99           HA       HIS  99  16.574  -4.525 -27.294
  750    HB2  HIS  99           2HB      HIS  99  16.888  -6.575 -25.908
  751    HB3  HIS  99           3HB      HIS  99  15.359  -7.217 -26.495
  752    HD1  HIS  99           HD1      HIS  99  18.873  -6.477 -27.643
  753    HD2  HIS  99           HD2      HIS  99  15.492  -8.493 -28.980
  754    HE1  HIS  99           HE1      HIS  99  19.606  -7.751 -29.672
  755    HE2  HIS  99           HE2      HIS  99  17.547  -8.963 -30.468
  Start of MODEL   15
    1    H1   GLU   1           1H       GLU   1 -13.187  -3.164  18.431
    2    H2   GLU   1           2H       GLU   1 -12.169  -1.981  19.069
    3    H3   GLU   1           3H       GLU   1 -11.523  -3.438  18.516
    4    HA   GLU   1           HA       GLU   1 -12.884  -1.411  16.847
    5    HB2  GLU   1           2HB      GLU   1  -9.922  -2.069  17.157
    6    HB3  GLU   1           3HB      GLU   1 -10.553  -1.173  15.783
    7    HG2  GLU   1           2HG      GLU   1  -9.658   0.415  17.320
    8    HG3  GLU   1           3HG      GLU   1 -11.412   0.566  17.355
    9    H    ASP   2           H        ASP   2 -13.785  -2.301  15.096
   10    HA   ASP   2           HA       ASP   2 -13.348  -5.074  14.376
   11    HB2  ASP   2           2HB      ASP   2 -15.116  -2.896  13.174
   12    HB3  ASP   2           3HB      ASP   2 -15.109  -4.568  12.615
   13    HA   PRO   3           HA       PRO   3 -10.358  -4.342  11.068
   14    HB2  PRO   3           2HB      PRO   3 -11.615  -6.555   9.510
   15    HB3  PRO   3           3HB      PRO   3  -9.972  -6.425  10.144
   16    HG2  PRO   3           2HG      PRO   3 -11.753  -8.102  11.253
   17    HG3  PRO   3           3HG      PRO   3 -10.588  -7.220  12.264
   18    HD2  PRO   3           2HD      PRO   3 -13.501  -6.591  11.738
   19    HD3  PRO   3           3HD      PRO   3 -12.611  -6.594  13.281
   20    H    GLU   4           H        GLU   4 -13.591  -3.661  10.699
   21    HA   GLU   4           HA       GLU   4 -13.611  -2.767   7.962
   22    HB2  GLU   4           2HB      GLU   4 -15.444  -2.090  10.306
   23    HB3  GLU   4           3HB      GLU   4 -15.771  -1.697   8.617
   24    HG2  GLU   4           2HG      GLU   4 -15.863  -4.111   8.073
   25    HG3  GLU   4           3HG      GLU   4 -15.523  -4.505   9.760
   26    H    ASP   5           H        ASP   5 -12.873  -1.397  11.117
   27    HA   ASP   5           HA       ASP   5 -12.718   1.352  10.412
   28    HB2  ASP   5           2HB      ASP   5 -11.272  -0.146  12.643
   29    HB3  ASP   5           3HB      ASP   5 -11.401   1.601  12.517
   30    HA   PRO   6           HA       PRO   6  -9.340   1.228   7.545
   31    HB2  PRO   6           2HB      PRO   6  -8.642   3.945   8.662
   32    HB3  PRO   6           3HB      PRO   6  -8.813   3.432   6.972
   33    HG2  PRO   6           2HG      PRO   6 -10.773   4.791   8.138
   34    HG3  PRO   6           3HG      PRO   6 -11.164   3.405   7.093
   35    HD2  PRO   6           2HD      PRO   6 -11.146   3.570  10.107
   36    HD3  PRO   6           3HD      PRO   6 -12.282   2.727   9.034
   37    H    PHE   7           H        PHE   7  -8.193   2.802  10.575
   38    HA   PHE   7           HA       PHE   7  -5.505   1.986  10.297
   39    HB2  PHE   7           2HB      PHE   7  -6.069   3.878  11.736
   40    HB3  PHE   7           3HB      PHE   7  -7.017   2.843  12.793
   41    HD1  PHE   7           HD2      PHE   7  -3.508   3.204  11.485
   42    HD2  PHE   7           HD1      PHE   7  -5.979   1.987  14.755
   43    HE1  PHE   7           HE2      PHE   7  -1.509   2.752  12.843
   44    HE2  PHE   7           HE1      PHE   7  -3.970   1.527  16.101
   45    HZ   PHE   7           HZ       PHE   7  -1.731   1.911  15.145
   46    H    THR   8           H        THR   8  -8.288   0.367  11.800
   47    HA   THR   8           HA       THR   8  -6.899  -1.466  13.399
   48    HB   THR   8           HB       THR   8  -9.607  -1.918  12.087
   49    HG1  THR   8           HG1      THR   8 -10.432  -0.892  13.873
   50   HG21  THR   8          3HG2      THR   8  -8.690  -4.001  13.067
   51   HG22  THR   8          1HG2      THR   8 -10.036  -3.405  14.043
   52   HG23  THR   8          2HG2      THR   8  -8.375  -3.163  14.587
   53    H    ARG   9           H        ARG   9  -8.243  -2.023  10.073
   54    HA   ARG   9           HA       ARG   9  -7.058  -4.634   9.843
   55    HB2  ARG   9           2HB      ARG   9  -7.757  -4.672   7.525
   56    HB3  ARG   9           3HB      ARG   9  -9.066  -4.038   8.508
   57    HG2  ARG   9           2HG      ARG   9  -7.259  -1.989   7.308
   58    HG3  ARG   9           3HG      ARG   9  -8.207  -2.911   6.158
   59    HD2  ARG   9           2HD      ARG   9  -9.636  -1.717   8.504
   60    HD3  ARG   9           3HD      ARG   9  -9.091  -0.644   7.217
   61    HE   ARG   9           HE       ARG   9 -10.870  -2.971   6.743
   62   HH11  ARG   9          1HH1      ARG   9 -10.018   0.379   6.150
   63   HH12  ARG   9          2HH1      ARG   9 -11.322   0.643   5.048
   64   HH21  ARG   9          1HH2      ARG   9 -12.602  -2.578   5.308
   65   HH22  ARG   9          2HH2      ARG   9 -12.778  -1.013   4.585
   66    H    TYR  10           H        TYR  10  -5.985  -1.393   9.106
   67    HA   TYR  10           HA       TYR  10  -3.784  -1.911   7.404
   68    HB2  TYR  10           2HB      TYR  10  -4.684   0.329   7.633
   69    HB3  TYR  10           3HB      TYR  10  -4.395   0.334   9.364
   70    HD1  TYR  10           HD2      TYR  10  -2.534   0.164   6.096
   71    HD2  TYR  10           HD1      TYR  10  -2.443   1.391  10.188
   72    HE1  TYR  10           HE2      TYR  10  -0.394   1.310   5.711
   73    HE2  TYR  10           HE1      TYR  10  -0.314   2.540   9.791
   74    HH   TYR  10           HH       TYR  10   0.859   3.250   6.763
   75    H    ALA  11           H        ALA  11  -3.933  -1.420  10.918
   76    HA   ALA  11           HA       ALA  11  -1.213  -1.975  11.502
   77    HB1  ALA  11           3HB      ALA  11  -3.626  -2.025  13.349
   78    HB2  ALA  11           1HB      ALA  11  -2.627  -0.615  12.995
   79    HB3  ALA  11           2HB      ALA  11  -1.937  -1.987  13.860
   80    H    LEU  12           H        LEU  12  -4.182  -3.881  11.531
   81    HA   LEU  12           HA       LEU  12  -3.237  -6.289  12.662
   82    HB2  LEU  12           2HB      LEU  12  -5.636  -5.718  12.439
   83    HB3  LEU  12           3HB      LEU  12  -5.506  -5.810  10.692
   84    HG   LEU  12           HG       LEU  12  -5.116  -8.250  10.829
   85   HD11  LEU  12          1HD1      LEU  12  -5.447  -7.964  13.826
   86   HD12  LEU  12          2HD1      LEU  12  -3.968  -8.411  12.970
   87   HD13  LEU  12          3HD1      LEU  12  -5.365  -9.481  12.929
   88   HD21  LEU  12          3HD2      LEU  12  -7.376  -8.919  11.520
   89   HD22  LEU  12          1HD2      LEU  12  -7.416  -7.427  10.580
   90   HD23  LEU  12          2HD2      LEU  12  -7.603  -7.371  12.336
   91    H    ALA  13           H        ALA  13  -3.352  -5.096   9.348
   92    HA   ALA  13           HA       ALA  13  -2.404  -7.369   7.974
   93    HB1  ALA  13           3HB      ALA  13  -2.070  -4.443   7.238
   94    HB2  ALA  13           1HB      ALA  13  -3.448  -5.462   6.815
   95    HB3  ALA  13           2HB      ALA  13  -1.853  -5.812   6.145
   96    H    GLN  14           H        GLN  14  -0.708  -4.593   9.398
   97    HA   GLN  14           HA       GLN  14   1.946  -5.321   8.722
   98    HB2  GLN  14           2HB      GLN  14   0.870  -3.633  11.018
   99    HB3  GLN  14           3HB      GLN  14   2.565  -3.699  10.533
  100    HG2  GLN  14           2HG      GLN  14   2.076  -2.697   8.398
  101    HG3  GLN  14           3HG      GLN  14   0.340  -2.821   8.670
  102   HE21  GLN  14          1HE2      GLN  14   2.016  -0.484   8.095
  103   HE22  GLN  14          2HE2      GLN  14   1.710   0.643   9.357
  104    H    GLU  15           H        GLU  15  -0.162  -6.274  11.376
  105    HA   GLU  15           HA       GLU  15   1.798  -7.686  12.916
  106    HB2  GLU  15           2HB      GLU  15  -1.239  -7.977  12.868
  107    HB3  GLU  15           3HB      GLU  15  -0.172  -8.685  14.082
  108    HG2  GLU  15           2HG      GLU  15   0.566  -6.366  14.692
  109    HG3  GLU  15           3HG      GLU  15  -0.627  -5.732  13.572
  110    H    HIS  16           H        HIS  16  -0.602  -8.662  10.463
  111    HA   HIS  16           HA       HIS  16  -0.090 -11.405  10.345
  112    HB2  HIS  16           2HB      HIS  16  -1.062  -9.494   8.194
  113    HB3  HIS  16           3HB      HIS  16  -0.888 -11.215   7.887
  114    HD1  HIS  16           HD1      HIS  16  -2.256 -12.697   9.903
  115    HD2  HIS  16           HD2      HIS  16  -3.620  -8.922   8.861
  116    HE1  HIS  16           HE1      HIS  16  -4.668 -12.644  10.587
  117    HE2  HIS  16           HE2      HIS  16  -5.511 -10.434   9.730
  118    H    LEU  17           H        LEU  17   1.611  -8.729   8.760
  119    HA   LEU  17           HA       LEU  17   3.370 -10.130   7.086
  120    HB2  LEU  17           2HB      LEU  17   3.732  -7.512   8.590
  121    HB3  LEU  17           3HB      LEU  17   4.916  -8.104   7.435
  122    HG   LEU  17           HG       LEU  17   2.027  -7.409   6.757
  123   HD11  LEU  17          1HD1      LEU  17   2.925  -5.447   5.587
  124   HD12  LEU  17          2HD1      LEU  17   4.552  -5.832   6.152
  125   HD13  LEU  17          3HD1      LEU  17   3.298  -5.383   7.308
  126   HD21  LEU  17          3HD2      LEU  17   2.909  -9.173   5.309
  127   HD22  LEU  17          1HD2      LEU  17   4.336  -8.193   4.943
  128   HD23  LEU  17          2HD2      LEU  17   2.735  -7.665   4.417
  129    H    LYS  18           H        LYS  18   3.575  -9.390  10.516
  130    HA   LYS  18           HA       LYS  18   6.236 -10.441  10.893
  131    HB2  LYS  18           2HB      LYS  18   4.093  -9.665  12.914
  132    HB3  LYS  18           3HB      LYS  18   5.789  -9.978  13.298
  133    HG2  LYS  18           2HG      LYS  18   6.469  -8.055  11.910
  134    HG3  LYS  18           3HG      LYS  18   4.782  -7.755  11.477
  135    HD2  LYS  18           2HD      LYS  18   4.262  -7.294  13.860
  136    HD3  LYS  18           3HD      LYS  18   5.955  -7.569  14.286
  137    HE2  LYS  18           2HE      LYS  18   5.483  -5.163  14.114
  138    HE3  LYS  18           3HE      LYS  18   6.613  -5.654  12.853
  139    HZ1  LYS  18           3HZ      LYS  18   4.772  -5.713  11.281
  140    HZ2  LYS  18           1HZ      LYS  18   4.918  -4.185  11.995
  141    HZ3  LYS  18           2HZ      LYS  18   3.698  -5.240  12.499
  142    H    HIS  19           H        HIS  19   2.942 -11.634  11.320
  143    HA   HIS  19           HA       HIS  19   3.766 -14.167  12.497
  144    HB2  HIS  19           2HB      HIS  19   1.079 -12.968  11.759
  145    HB3  HIS  19           3HB      HIS  19   1.229 -14.630  12.315
  146    HD1  HIS  19           HD1      HIS  19   0.937 -14.920  14.747
  147    HD2  HIS  19           HD2      HIS  19   2.222 -11.082  13.838
  148    HE1  HIS  19           HE1      HIS  19   0.922 -13.677  16.922
  149    HE2  HIS  19           HE2      HIS  19   1.499 -11.307  16.304
  150    H    ASP  20           H        ASP  20   4.285 -13.270   9.502
  151    HA   ASP  20           HA       ASP  20   4.846 -14.391   7.615
  152    HB2  ASP  20           2HB      ASP  20   5.557 -16.244   9.120
  153    HB3  ASP  20           3HB      ASP  20   3.931 -16.907   9.080
  154    H    ASN  21           H        ASN  21   1.768 -13.958   8.609
  155    HA   ASN  21           HA       ASN  21   0.317 -15.247   6.421
  156    HB2  ASN  21           2HB      ASN  21  -0.589 -13.451   8.723
  157    HB3  ASN  21           3HB      ASN  21  -1.684 -14.114   7.520
  158   HD21  ASN  21          1HD2      ASN  21  -0.665 -16.728   7.305
  159   HD22  ASN  21          2HD2      ASN  21  -0.910 -17.540   8.810
  160    H    ALA  22           H        ALA  22   2.047 -13.757   5.133
  161    HA   ALA  22           HA       ALA  22   1.617 -10.970   4.922
  162    HB1  ALA  22           3HB      ALA  22   3.746 -12.056   4.333
  163    HB2  ALA  22           1HB      ALA  22   3.134 -11.075   3.001
  164    HB3  ALA  22           2HB      ALA  22   2.975 -12.831   2.953
  165    H    SER  23           H        SER  23   0.320 -13.712   3.014
  166    HA   SER  23           HA       SER  23  -1.039 -12.194   1.068
  167    HB2  SER  23           2HB      SER  23  -0.693 -14.609   0.799
  168    HB3  SER  23           3HB      SER  23  -1.761 -14.935   2.157
  169    HG   SER  23           HG       SER  23  -2.508 -13.699  -0.300
  170    H    ARG  24           H        ARG  24  -2.012 -13.035   4.400
  171    HA   ARG  24           HA       ARG  24  -4.717 -12.086   4.153
  172    HB2  ARG  24           2HB      ARG  24  -2.997 -12.468   6.646
  173    HB3  ARG  24           3HB      ARG  24  -4.735 -12.184   6.650
  174    HG2  ARG  24           2HG      ARG  24  -3.303 -14.623   5.564
  175    HG3  ARG  24           3HG      ARG  24  -4.274 -14.531   7.034
  176    HD2  ARG  24           2HD      ARG  24  -6.286 -14.095   5.708
  177    HD3  ARG  24           3HD      ARG  24  -5.335 -14.101   4.215
  178    HE   ARG  24           HE       ARG  24  -5.282 -16.509   5.902
  179   HH11  ARG  24          1HH1      ARG  24  -6.495 -14.991   2.965
  180   HH12  ARG  24          2HH1      ARG  24  -6.947 -16.498   2.240
  181   HH21  ARG  24          1HH2      ARG  24  -5.929 -18.469   4.953
  182   HH22  ARG  24          2HH2      ARG  24  -6.670 -18.466   3.384
  183    H    ALA  25           H        ALA  25  -1.620 -10.723   5.068
  184    HA   ALA  25           HA       ALA  25  -2.450  -8.145   5.918
  185    HB1  ALA  25           3HB      ALA  25  -0.192  -9.038   6.355
  186    HB2  ALA  25           1HB      ALA  25  -0.108  -7.496   5.503
  187    HB3  ALA  25           2HB      ALA  25   0.164  -9.006   4.630
  188    H    LEU  26           H        LEU  26  -1.611  -9.549   2.839
  189    HA   LEU  26           HA       LEU  26  -1.548  -7.273   1.166
  190    HB2  LEU  26           2HB      LEU  26  -0.646  -9.630   0.686
  191    HB3  LEU  26           3HB      LEU  26  -2.302 -10.123   0.399
  192    HG   LEU  26           HG       LEU  26  -2.362  -8.354  -1.474
  193   HD11  LEU  26          1HD1      LEU  26  -0.218  -7.661  -2.424
  194   HD12  LEU  26          2HD1      LEU  26   0.648  -8.421  -1.090
  195   HD13  LEU  26          3HD1      LEU  26  -0.410  -7.041  -0.789
  196   HD21  LEU  26          3HD2      LEU  26  -0.483 -10.722  -1.778
  197   HD22  LEU  26          1HD2      LEU  26  -1.245  -9.836  -3.103
  198   HD23  LEU  26          2HD2      LEU  26  -2.238 -10.747  -1.969
  199    H    ALA  27           H        ALA  27  -3.996  -9.690   1.883
  200    HA   ALA  27           HA       ALA  27  -6.162  -8.743   0.424
  201    HB1  ALA  27           3HB      ALA  27  -6.021 -10.997   1.405
  202    HB2  ALA  27           1HB      ALA  27  -7.525 -10.192   1.856
  203    HB3  ALA  27           2HB      ALA  27  -6.202 -10.312   3.019
  204    H    LEU  28           H        LEU  28  -5.237  -7.974   3.829
  205    HA   LEU  28           HA       LEU  28  -7.519  -6.366   4.373
  206    HB2  LEU  28           2HB      LEU  28  -4.811  -6.514   5.708
  207    HB3  LEU  28           3HB      LEU  28  -6.084  -5.448   6.290
  208    HG   LEU  28           HG       LEU  28  -6.227  -8.485   6.160
  209   HD11  LEU  28          1HD1      LEU  28  -6.031  -6.630   8.543
  210   HD12  LEU  28          2HD1      LEU  28  -4.743  -7.659   7.912
  211   HD13  LEU  28          3HD1      LEU  28  -6.194  -8.390   8.597
  212   HD21  LEU  28          3HD2      LEU  28  -8.456  -7.531   5.754
  213   HD22  LEU  28          1HD2      LEU  28  -8.314  -6.529   7.205
  214   HD23  LEU  28          2HD2      LEU  28  -8.379  -8.288   7.341
  215    H    PHE  29           H        PHE  29  -4.352  -5.576   3.057
  216    HA   PHE  29           HA       PHE  29  -4.802  -2.752   2.954
  217    HB2  PHE  29           2HB      PHE  29  -2.880  -4.524   1.410
  218    HB3  PHE  29           3HB      PHE  29  -2.916  -2.776   1.253
  219    HD1  PHE  29           HD2      PHE  29  -3.137  -1.819   4.010
  220    HD2  PHE  29           HD1      PHE  29  -0.844  -5.079   2.460
  221    HE1  PHE  29           HE2      PHE  29  -1.543  -1.601   5.872
  222    HE2  PHE  29           HE1      PHE  29   0.747  -4.847   4.324
  223    HZ   PHE  29           HZ       PHE  29   0.393  -3.107   6.038
  224    H    GLU  30           H        GLU  30  -5.392  -5.432   0.632
  225    HA   GLU  30           HA       GLU  30  -6.501  -3.825  -1.441
  226    HB2  GLU  30           2HB      GLU  30  -6.863  -6.781  -0.808
  227    HB3  GLU  30           3HB      GLU  30  -7.474  -6.013  -2.274
  228    HG2  GLU  30           2HG      GLU  30  -5.168  -5.422  -2.935
  229    HG3  GLU  30           3HG      GLU  30  -4.552  -6.160  -1.457
  230    H    GLU  31           H        GLU  31  -7.802  -5.033   1.552
  231    HA   GLU  31           HA       GLU  31 -10.605  -4.658   1.075
  232    HB2  GLU  31           2HB      GLU  31  -9.978  -6.153   2.861
  233    HB3  GLU  31           3HB      GLU  31  -8.851  -4.997   3.542
  234    HG2  GLU  31           2HG      GLU  31 -10.742  -5.217   5.010
  235    HG3  GLU  31           3HG      GLU  31 -10.737  -3.601   4.307
  236    H    LEU  32           H        LEU  32  -7.977  -2.798   2.539
  237    HA   LEU  32           HA       LEU  32  -9.294  -0.429   3.178
  238    HB2  LEU  32           2HB      LEU  32  -6.441  -1.109   2.482
  239    HB3  LEU  32           3HB      LEU  32  -6.885   0.571   2.695
  240    HG   LEU  32           HG       LEU  32  -7.387  -1.487   4.866
  241   HD11  LEU  32          1HD1      LEU  32  -4.978  -1.526   4.393
  242   HD12  LEU  32          2HD1      LEU  32  -5.317  -0.792   5.958
  243   HD13  LEU  32          3HD1      LEU  32  -4.906   0.230   4.578
  244   HD21  LEU  32          3HD2      LEU  32  -8.643   0.632   5.000
  245   HD22  LEU  32          1HD2      LEU  32  -7.124   1.538   4.965
  246   HD23  LEU  32          2HD2      LEU  32  -7.493   0.461   6.318
  247    H    VAL  33           H        VAL  33  -7.609  -1.323   0.097
  248    HA   VAL  33           HA       VAL  33  -7.980   1.104  -1.243
  249    HB   VAL  33           HB       VAL  33  -7.734  -1.680  -2.489
  250   HG11  VAL  33          1HG1      VAL  33  -7.284   1.028  -3.808
  251   HG12  VAL  33          2HG1      VAL  33  -8.607  -0.087  -4.149
  252   HG13  VAL  33          3HG1      VAL  33  -6.952  -0.543  -4.545
  253   HG21  VAL  33          3HG2      VAL  33  -5.583   0.392  -1.911
  254   HG22  VAL  33          1HG2      VAL  33  -5.332  -1.141  -2.749
  255   HG23  VAL  33          2HG2      VAL  33  -5.818  -1.131  -1.057
  256    H    GLU  34           H        GLU  34  -9.980  -1.871  -1.450
  257    HA   GLU  34           HA       GLU  34 -11.839  -0.892  -3.303
  258    HB2  GLU  34           2HB      GLU  34 -13.248  -2.826  -2.735
  259    HB3  GLU  34           3HB      GLU  34 -11.559  -3.298  -2.904
  260    HG2  GLU  34           2HG      GLU  34 -11.316  -3.376  -0.471
  261    HG3  GLU  34           3HG      GLU  34 -12.970  -2.818  -0.270
  262    H    THR  35           H        THR  35 -12.014  -0.710   0.306
  263    HA   THR  35           HA       THR  35 -14.764   0.357   0.132
  264    HB   THR  35           HB       THR  35 -14.825   0.070   2.608
  265    HG1  THR  35           HG1      THR  35 -12.481  -1.416   2.659
  266   HG21  THR  35          3HG2      THR  35 -14.813  -2.365   2.672
  267   HG22  THR  35          1HG2      THR  35 -13.832  -2.431   1.208
  268   HG23  THR  35          2HG2      THR  35 -15.488  -1.824   1.136
  269    H    ASP  36           H        ASP  36 -11.521   1.303   1.086
  270    HA   ASP  36           HA       ASP  36 -12.358   4.066   1.739
  271    HB2  ASP  36           2HB      ASP  36 -10.460   2.305   3.368
  272    HB3  ASP  36           3HB      ASP  36 -10.567   4.051   3.570
  273    HA   PRO  37           HA       PRO  37  -8.970   3.602  -1.508
  274    HB2  PRO  37           2HB      PRO  37 -10.423   5.687  -3.029
  275    HB3  PRO  37           3HB      PRO  37 -10.018   4.039  -3.514
  276    HG2  PRO  37           2HG      PRO  37 -12.569   4.793  -2.981
  277    HG3  PRO  37           3HG      PRO  37 -11.981   3.153  -2.619
  278    HD2  PRO  37           2HD      PRO  37 -12.293   5.509  -0.747
  279    HD3  PRO  37           3HD      PRO  37 -12.783   3.815  -0.514
  280    H    ASP  38           H        ASP  38 -10.049   6.114   0.410
  281    HA   ASP  38           HA       ASP  38  -8.331   8.265  -0.516
  282    HB2  ASP  38           2HB      ASP  38 -10.015   8.028   2.019
  283    HB3  ASP  38           3HB      ASP  38  -9.261   9.506   1.424
  284    H    TYR  39           H        TYR  39  -8.199   5.681   1.834
  285    HA   TYR  39           HA       TYR  39  -6.257   6.758   3.602
  286    HB2  TYR  39           2HB      TYR  39  -7.840   4.728   3.995
  287    HB3  TYR  39           3HB      TYR  39  -6.648   3.766   3.131
  288    HD1  TYR  39           HD2      TYR  39  -4.404   3.363   4.165
  289    HD2  TYR  39           HD1      TYR  39  -7.404   5.555   6.256
  290    HE1  TYR  39           HE2      TYR  39  -3.159   3.065   6.250
  291    HE2  TYR  39           HE1      TYR  39  -6.155   5.265   8.345
  292    HH   TYR  39           HH       TYR  39  -2.951   4.140   8.434
  293    H    VAL  40           H        VAL  40  -4.419   7.494   2.747
  294    HA   VAL  40           HA       VAL  40  -3.129   6.542   0.399
  295    HB   VAL  40           HB       VAL  40  -2.084   8.440   2.554
  296   HG11  VAL  40          1HG1      VAL  40  -0.219   7.638   1.197
  297   HG12  VAL  40          2HG1      VAL  40  -0.567   9.319   0.792
  298   HG13  VAL  40          3HG1      VAL  40  -1.090   8.026  -0.289
  299   HG21  VAL  40          3HG2      VAL  40  -4.203   9.225   1.560
  300   HG22  VAL  40          1HG2      VAL  40  -3.516   9.073  -0.058
  301   HG23  VAL  40          2HG2      VAL  40  -2.862  10.261   1.073
  302    H    GLY  41           H        GLY  41  -2.604   5.956   3.834
  303    HA2  GLY  41           2HA      GLY  41   0.023   4.934   3.842
  304    HA3  GLY  41           3HA      GLY  41  -1.217   4.592   5.038
  305    H    THR  42           H        THR  42  -3.012   3.423   3.070
  306    HA   THR  42           HA       THR  42  -2.460   0.724   3.082
  307    HB   THR  42           HB       THR  42  -4.053   2.319   1.023
  308    HG1  THR  42           HG1      THR  42  -5.662   2.283   2.428
  309   HG21  THR  42          3HG2      THR  42  -3.634   0.039   0.222
  310   HG22  THR  42          1HG2      THR  42  -5.326   0.221   0.687
  311   HG23  THR  42          2HG2      THR  42  -4.207  -0.627   1.752
  312    H    TYR  43           H        TYR  43  -2.050   3.002   0.399
  313    HA   TYR  43           HA       TYR  43  -1.442   1.064  -1.537
  314    HB2  TYR  43           2HB      TYR  43  -1.045   4.077  -1.564
  315    HB3  TYR  43           3HB      TYR  43  -0.870   3.048  -2.988
  316    HD1  TYR  43           HD1      TYR  43  -2.841   1.929  -3.982
  317    HD2  TYR  43           HD2      TYR  43  -3.292   4.569  -0.652
  318    HE1  TYR  43           HE1      TYR  43  -5.253   2.043  -4.397
  319    HE2  TYR  43           HE2      TYR  43  -5.712   4.681  -1.078
  320    HH   TYR  43           HH       TYR  43  -7.249   4.355  -2.945
  321    H    TYR  44           H        TYR  44   0.730   3.315   0.191
  322    HA   TYR  44           HA       TYR  44   3.133   2.524  -0.872
  323    HB2  TYR  44           2HB      TYR  44   2.851   4.431   0.684
  324    HB3  TYR  44           3HB      TYR  44   2.575   3.311   2.018
  325    HD1  TYR  44           HD1      TYR  44   5.161   3.290  -0.727
  326    HD2  TYR  44           HD2      TYR  44   4.431   3.543   3.482
  327    HE1  TYR  44           HE1      TYR  44   7.582   3.226  -0.294
  328    HE2  TYR  44           HE2      TYR  44   6.845   3.498   3.900
  329    HH   TYR  44           HH       TYR  44   8.881   2.825   2.867
  330    H    HIS  45           H        HIS  45   1.687   1.204   2.124
  331    HA   HIS  45           HA       HIS  45   3.654  -0.791   2.569
  332    HB2  HIS  45           2HB      HIS  45   0.832  -0.481   3.661
  333    HB3  HIS  45           3HB      HIS  45   1.934  -1.745   4.203
  334    HD1  HIS  45           HD1      HIS  45   3.242  -1.148   6.206
  335    HD2  HIS  45           HD2      HIS  45   2.175   2.232   4.041
  336    HE1  HIS  45           HE1      HIS  45   4.083   0.805   7.539
  337    HE2  HIS  45           HE2      HIS  45   3.501   2.832   6.173
  338    H    LEU  46           H        LEU  46   0.659  -0.876   0.768
  339    HA   LEU  46           HA       LEU  46   0.421  -3.699   0.441
  340    HB2  LEU  46           2HB      LEU  46  -1.518  -2.221   0.218
  341    HB3  LEU  46           3HB      LEU  46  -0.765  -1.372  -1.116
  342    HG   LEU  46           HG       LEU  46  -1.024  -3.325  -2.576
  343   HD11  LEU  46          1HD1      LEU  46  -0.706  -5.125  -0.944
  344   HD12  LEU  46          2HD1      LEU  46  -2.167  -5.365  -1.896
  345   HD13  LEU  46          3HD1      LEU  46  -2.284  -4.776  -0.240
  346   HD21  LEU  46          3HD2      LEU  46  -3.467  -3.395  -2.748
  347   HD22  LEU  46          1HD2      LEU  46  -2.908  -1.752  -2.439
  348   HD23  LEU  46          2HD2      LEU  46  -3.622  -2.700  -1.132
  349    H    GLY  47           H        GLY  47   1.805  -1.053  -1.474
  350    HA2  GLY  47           2HA      GLY  47   2.542  -2.580  -3.755
  351    HA3  GLY  47           3HA      GLY  47   3.142  -0.988  -3.312
  352    H    LYS  48           H        LYS  48   4.248  -1.596  -0.795
  353    HA   LYS  48           HA       LYS  48   6.838  -2.498  -1.384
  354    HB2  LYS  48           2HB      LYS  48   5.423  -2.412   1.321
  355    HB3  LYS  48           3HB      LYS  48   7.147  -2.685   1.120
  356    HG2  LYS  48           2HG      LYS  48   5.629  -0.144   0.461
  357    HG3  LYS  48           3HG      LYS  48   6.721  -0.400   1.819
  358    HD2  LYS  48           2HD      LYS  48   7.468  -0.334  -1.129
  359    HD3  LYS  48           3HD      LYS  48   7.814   0.910   0.069
  360    HE2  LYS  48           2HE      LYS  48   8.951  -1.892   0.044
  361    HE3  LYS  48           3HE      LYS  48   9.803  -0.434  -0.434
  362    HZ1  LYS  48           3HZ      LYS  48  10.351  -1.182   1.813
  363    HZ2  LYS  48           1HZ      LYS  48   8.744  -0.959   2.284
  364    HZ3  LYS  48           2HZ      LYS  48   9.673   0.367   1.805
  365    H    LEU  49           H        LEU  49   4.027  -4.144  -0.050
  366    HA   LEU  49           HA       LEU  49   5.282  -6.656   0.474
  367    HB2  LEU  49           2HB      LEU  49   3.306  -5.879   1.694
  368    HB3  LEU  49           3HB      LEU  49   2.358  -5.882   0.215
  369    HG   LEU  49           HG       LEU  49   2.401  -8.317   0.108
  370   HD11  LEU  49          1HD1      LEU  49   4.658  -8.783   0.919
  371   HD12  LEU  49          2HD1      LEU  49   3.474  -9.714   1.829
  372   HD13  LEU  49          3HD1      LEU  49   4.206  -8.281   2.554
  373   HD21  LEU  49          3HD2      LEU  49   1.724  -7.381   2.915
  374   HD22  LEU  49          1HD2      LEU  49   1.133  -8.848   2.134
  375   HD23  LEU  49          2HD2      LEU  49   0.671  -7.273   1.500
  376    H    TYR  50           H        TYR  50   3.368  -5.371  -2.264
  377    HA   TYR  50           HA       TYR  50   3.282  -7.648  -3.885
  378    HB2  TYR  50           2HB      TYR  50   3.357  -4.694  -4.567
  379    HB3  TYR  50           3HB      TYR  50   3.400  -5.890  -5.856
  380    HD1  TYR  50           HD1      TYR  50   1.495  -7.936  -5.000
  381    HD2  TYR  50           HD2      TYR  50   1.213  -3.687  -4.647
  382    HE1  TYR  50           HE1      TYR  50  -0.954  -8.097  -5.019
  383    HE2  TYR  50           HE2      TYR  50  -1.233  -3.858  -4.655
  384    HH   TYR  50           HH       TYR  50  -2.885  -6.774  -4.212
  385    H    GLU  51           H        GLU  51   5.875  -5.202  -3.644
  386    HA   GLU  51           HA       GLU  51   7.652  -6.164  -5.583
  387    HB2  GLU  51           2HB      GLU  51   8.331  -4.847  -2.920
  388    HB3  GLU  51           3HB      GLU  51   9.425  -4.984  -4.294
  389    HG2  GLU  51           2HG      GLU  51   7.989  -3.529  -5.622
  390    HG3  GLU  51           3HG      GLU  51   6.808  -3.462  -4.315
  391    H    ARG  52           H        ARG  52   7.172  -7.179  -2.240
  392    HA   ARG  52           HA       ARG  52   9.361  -8.974  -1.969
  393    HB2  ARG  52           2HB      ARG  52   6.685  -8.931  -0.514
  394    HB3  ARG  52           3HB      ARG  52   8.093  -9.863  -0.008
  395    HG2  ARG  52           2HG      ARG  52   9.345  -7.757   0.358
  396    HG3  ARG  52           3HG      ARG  52   7.920  -6.834  -0.136
  397    HD2  ARG  52           2HD      ARG  52   8.091  -6.931   2.314
  398    HD3  ARG  52           3HD      ARG  52   6.643  -7.781   1.758
  399    HE   ARG  52           HE       ARG  52   9.013  -9.429   2.146
  400   HH11  ARG  52          1HH1      ARG  52   6.029  -8.277   3.617
  401   HH12  ARG  52          2HH1      ARG  52   5.987  -9.557   4.784
  402   HH21  ARG  52          1HH2      ARG  52   8.934 -11.080   3.669
  403   HH22  ARG  52          2HH2      ARG  52   7.639 -11.134   4.826
  404    H    LEU  53           H        LEU  53   6.044  -9.371  -3.121
  405    HA   LEU  53           HA       LEU  53   6.290 -12.266  -3.449
  406    HB2  LEU  53           2HB      LEU  53   4.020 -10.382  -4.184
  407    HB3  LEU  53           3HB      LEU  53   3.926 -12.136  -4.117
  408    HG   LEU  53           HG       LEU  53   4.383 -10.311  -1.720
  409   HD11  LEU  53          1HD1      LEU  53   2.119 -10.061  -2.579
  410   HD12  LEU  53          2HD1      LEU  53   2.111 -10.888  -1.025
  411   HD13  LEU  53          3HD1      LEU  53   1.871 -11.809  -2.512
  412   HD21  LEU  53          3HD2      LEU  53   3.975 -13.321  -1.785
  413   HD22  LEU  53          1HD2      LEU  53   4.059 -12.321  -0.332
  414   HD23  LEU  53          2HD2      LEU  53   5.468 -12.477  -1.374
  415    H    ASP  54           H        ASP  54   7.908 -10.245  -5.159
  416    HA   ASP  54           HA       ASP  54   8.686  -9.955  -7.267
  417    HB2  ASP  54           2HB      ASP  54   7.263 -12.602  -7.754
  418    HB3  ASP  54           3HB      ASP  54   8.285 -11.834  -8.965
  419    H    ARG  55           H        ARG  55   5.811  -9.198  -6.518
  420    HA   ARG  55           HA       ARG  55   4.496  -8.872  -9.131
  421    HB2  ARG  55           2HB      ARG  55   3.454  -8.256  -6.326
  422    HB3  ARG  55           3HB      ARG  55   2.510  -8.216  -7.810
  423    HG2  ARG  55           2HG      ARG  55   3.702 -10.676  -6.485
  424    HG3  ARG  55           3HG      ARG  55   1.996 -10.221  -6.532
  425    HD2  ARG  55           2HD      ARG  55   3.728 -11.014  -8.894
  426    HD3  ARG  55           3HD      ARG  55   2.441 -11.984  -8.169
  427    HE   ARG  55           HE       ARG  55   1.720  -9.357  -9.243
  428   HH11  ARG  55          1HH1      ARG  55   1.659 -12.834  -9.769
  429   HH12  ARG  55          2HH1      ARG  55   0.454 -12.734 -11.010
  430   HH21  ARG  55          1HH2      ARG  55   0.171  -9.239 -10.844
  431   HH22  ARG  55          2HH2      ARG  55  -0.386 -10.691 -11.618
  432    H    THR  56           H        THR  56   6.732  -7.463  -9.047
  433    HA   THR  56           HA       THR  56   6.796  -4.959  -7.772
  434    HB   THR  56           HB       THR  56   8.248  -5.592 -10.377
  435    HG1  THR  56           HG1      THR  56   9.278  -7.154  -9.416
  436   HG21  THR  56          3HG2      THR  56   9.083  -4.033  -7.899
  437   HG22  THR  56          1HG2      THR  56   8.585  -3.328  -9.439
  438   HG23  THR  56          2HG2      THR  56  10.071  -4.275  -9.343
  439    H    ASP  57           H        ASP  57   5.558  -5.993 -10.901
  440    HA   ASP  57           HA       ASP  57   5.014  -3.492 -12.102
  441    HB2  ASP  57           2HB      ASP  57   4.994  -5.509 -13.436
  442    HB3  ASP  57           3HB      ASP  57   3.774  -6.252 -12.408
  443    H    ASP  58           H        ASP  58   3.058  -5.658 -10.105
  444    HA   ASP  58           HA       ASP  58   0.635  -4.204 -10.056
  445    HB2  ASP  58           2HB      ASP  58   1.739  -6.124  -7.946
  446    HB3  ASP  58           3HB      ASP  58   0.053  -5.624  -8.098
  447    H    ALA  59           H        ALA  59   3.542  -4.125  -8.077
  448    HA   ALA  59           HA       ALA  59   2.763  -2.365  -6.041
  449    HB1  ALA  59           3HB      ALA  59   4.865  -3.655  -5.955
  450    HB2  ALA  59           1HB      ALA  59   5.165  -1.932  -5.715
  451    HB3  ALA  59           2HB      ALA  59   5.526  -2.684  -7.271
  452    H    ILE  60           H        ILE  60   4.244  -1.701  -9.242
  453    HA   ILE  60           HA       ILE  60   4.595   1.079  -9.106
  454    HB   ILE  60           HB       ILE  60   3.746  -0.429 -11.634
  455   HG12  ILE  60          2HG1      ILE  60   5.665  -1.613 -10.700
  456   HG13  ILE  60          3HG1      ILE  60   6.183  -0.730 -12.127
  457   HG21  ILE  60          1HG2      ILE  60   5.318   2.157 -11.325
  458   HG22  ILE  60          2HG2      ILE  60   3.666   1.994 -11.919
  459   HG23  ILE  60          3HG2      ILE  60   5.005   1.331 -12.855
  460   HD11  ILE  60          3HD1      ILE  60   6.649   0.071  -9.260
  461   HD12  ILE  60          1HD1      ILE  60   7.153   1.000 -10.676
  462   HD13  ILE  60          2HD1      ILE  60   7.829  -0.600 -10.380
  463    H    ASP  61           H        ASP  61   1.827  -0.816 -10.142
  464    HA   ASP  61           HA       ASP  61   0.107   1.271 -10.986
  465    HB2  ASP  61           2HB      ASP  61  -0.077  -1.085 -11.751
  466    HB3  ASP  61           3HB      ASP  61  -0.508  -1.591 -10.122
  467    H    THR  62           H        THR  62   0.411  -0.524  -7.933
  468    HA   THR  62           HA       THR  62  -1.826   0.606  -6.589
  469    HB   THR  62           HB       THR  62   0.682  -0.696  -5.424
  470    HG1  THR  62           HG1      THR  62  -0.725  -1.959  -6.890
  471   HG21  THR  62          3HG2      THR  62  -2.028  -0.250  -4.119
  472   HG22  THR  62          1HG2      THR  62  -0.538   0.598  -3.698
  473   HG23  THR  62          2HG2      THR  62  -0.676  -1.135  -3.415
  474    H    TYR  63           H        TYR  63   1.616   1.457  -6.646
  475    HA   TYR  63           HA       TYR  63   1.552   3.641  -4.855
  476    HB2  TYR  63           2HB      TYR  63   3.450   3.141  -7.180
  477    HB3  TYR  63           3HB      TYR  63   3.684   4.389  -5.959
  478    HD1  TYR  63           HD1      TYR  63   3.045   2.931  -3.441
  479    HD2  TYR  63           HD2      TYR  63   5.243   1.646  -6.866
  480    HE1  TYR  63           HE1      TYR  63   4.329   1.376  -2.048
  481    HE2  TYR  63           HE2      TYR  63   6.515   0.088  -5.471
  482    HH   TYR  63           HH       TYR  63   7.122  -0.239  -3.203
  483    H    ALA  64           H        ALA  64   1.063   3.447  -8.373
  484    HA   ALA  64           HA       ALA  64   0.808   6.176  -8.975
  485    HB1  ALA  64           3HB      ALA  64   1.044   4.424 -10.685
  486    HB2  ALA  64           1HB      ALA  64  -0.364   5.442 -11.002
  487    HB3  ALA  64           2HB      ALA  64  -0.574   3.831 -10.308
  488    H    GLN  65           H        GLN  65  -1.692   3.788  -8.108
  489    HA   GLN  65           HA       GLN  65  -3.958   5.471  -8.081
  490    HB2  GLN  65           2HB      GLN  65  -3.469   2.746  -7.661
  491    HB3  GLN  65           3HB      GLN  65  -3.951   3.265  -6.059
  492    HG2  GLN  65           2HG      GLN  65  -5.692   3.971  -8.410
  493    HG3  GLN  65           3HG      GLN  65  -5.704   2.324  -7.804
  494   HE21  GLN  65          1HE2      GLN  65  -5.506   5.257  -5.778
  495   HE22  GLN  65          2HE2      GLN  65  -7.032   5.040  -5.031
  496    H    GLY  66           H        GLY  66  -1.592   4.597  -5.643
  497    HA2  GLY  66           2HA      GLY  66  -2.469   6.028  -3.426
  498    HA3  GLY  66           3HA      GLY  66  -0.804   5.591  -3.771
  499    H    ILE  67           H        ILE  67  -0.409   7.100  -6.118
  500    HA   ILE  67           HA       ILE  67   0.475   9.557  -5.094
  501    HB   ILE  67           HB       ILE  67   0.123   8.519  -7.934
  502   HG12  ILE  67          2HG1      ILE  67   2.643   9.175  -6.329
  503   HG13  ILE  67          3HG1      ILE  67   1.971   7.566  -6.562
  504   HG21  ILE  67          1HG2      ILE  67   1.332  10.475  -8.844
  505   HG22  ILE  67          2HG2      ILE  67   1.264  11.254  -7.265
  506   HG23  ILE  67          3HG2      ILE  67  -0.226  10.930  -8.155
  507   HD11  ILE  67          3HD1      ILE  67   3.884   7.974  -7.996
  508   HD12  ILE  67          1HD1      ILE  67   3.067   9.342  -8.745
  509   HD13  ILE  67          2HD1      ILE  67   2.430   7.708  -8.955
  510    H    GLU  68           H        GLU  68  -2.404   8.714  -6.960
  511    HA   GLU  68           HA       GLU  68  -3.380  11.310  -7.480
  512    HB2  GLU  68           2HB      GLU  68  -4.902   8.686  -7.246
  513    HB3  GLU  68           3HB      GLU  68  -5.496  10.150  -8.034
  514    HG2  GLU  68           2HG      GLU  68  -3.750   9.977  -9.733
  515    HG3  GLU  68           3HG      GLU  68  -3.046   8.588  -8.913
  516    H    VAL  69           H        VAL  69  -4.057   8.972  -4.903
  517    HA   VAL  69           HA       VAL  69  -5.902  10.763  -3.534
  518    HB   VAL  69           HB       VAL  69  -6.219   9.015  -1.880
  519   HG11  VAL  69          1HG1      VAL  69  -7.474   8.814  -3.981
  520   HG12  VAL  69          2HG1      VAL  69  -7.110   7.218  -3.330
  521   HG13  VAL  69          3HG1      VAL  69  -6.180   7.845  -4.691
  522   HG21  VAL  69          3HG2      VAL  69  -3.983   7.455  -3.239
  523   HG22  VAL  69          1HG2      VAL  69  -5.022   6.852  -1.942
  524   HG23  VAL  69          2HG2      VAL  69  -3.912   8.189  -1.635
  525    H    ALA  70           H        ALA  70  -2.518  10.216  -3.485
  526    HA   ALA  70           HA       ALA  70  -1.946  11.013  -0.773
  527    HB1  ALA  70           3HB      ALA  70  -0.086  10.972  -3.168
  528    HB2  ALA  70           1HB      ALA  70  -0.353   9.646  -2.042
  529    HB3  ALA  70           2HB      ALA  70   0.407  11.132  -1.478
  530    H    ARG  71           H        ARG  71  -1.903  12.631  -3.918
  531    HA   ARG  71           HA       ARG  71  -1.092  15.179  -2.864
  532    HB2  ARG  71           2HB      ARG  71  -1.466  16.031  -5.142
  533    HB3  ARG  71           3HB      ARG  71  -0.500  14.561  -5.134
  534    HG2  ARG  71           2HG      ARG  71  -2.599  13.282  -5.715
  535    HG3  ARG  71           3HG      ARG  71  -3.410  14.837  -5.926
  536    HD2  ARG  71           2HD      ARG  71  -1.058  13.754  -7.508
  537    HD3  ARG  71           3HD      ARG  71  -2.697  14.040  -8.097
  538    HE   ARG  71           HE       ARG  71  -0.608  16.024  -7.600
  539   HH11  ARG  71          1HH1      ARG  71  -3.985  15.519  -8.414
  540   HH12  ARG  71          2HH1      ARG  71  -4.151  17.072  -9.161
  541   HH21  ARG  71          1HH2      ARG  71  -0.837  18.048  -8.563
  542   HH22  ARG  71          2HH2      ARG  71  -2.360  18.509  -9.257
  543    H    GLU  72           H        GLU  72  -4.237  13.647  -3.385
  544    HA   GLU  72           HA       GLU  72  -5.698  16.148  -3.006
  545    HB2  GLU  72           2HB      GLU  72  -6.766  13.298  -3.170
  546    HB3  GLU  72           3HB      GLU  72  -7.732  14.767  -3.220
  547    HG2  GLU  72           2HG      GLU  72  -5.793  13.762  -5.315
  548    HG3  GLU  72           3HG      GLU  72  -7.543  13.863  -5.448
  549    H    GLU  73           H        GLU  73  -5.437  13.040  -1.246
  550    HA   GLU  73           HA       GLU  73  -6.813  14.084   1.100
  551    HB2  GLU  73           2HB      GLU  73  -5.773  11.300   0.428
  552    HB3  GLU  73           3HB      GLU  73  -6.639  11.692   1.910
  553    HG2  GLU  73           2HG      GLU  73  -7.753  11.965  -0.898
  554    HG3  GLU  73           3HG      GLU  73  -8.078  10.628   0.202
  555    H    GLY  74           H        GLY  74  -3.552  12.683   0.375
  556    HA2  GLY  74           2HA      GLY  74  -2.760  12.929   3.187
  557    HA3  GLY  74           3HA      GLY  74  -1.844  12.191   1.880
  558    H    THR  75           H        THR  75  -0.164  13.556   3.167
  559    HA   THR  75           HA       THR  75  -0.057  16.356   2.244
  560    HB   THR  75           HB       THR  75   1.876  16.622   3.741
  561    HG1  THR  75           HG1      THR  75   1.526  13.872   4.340
  562   HG21  THR  75          3HG2      THR  75   0.809  16.216   5.919
  563   HG22  THR  75          1HG2      THR  75  -0.378  15.157   5.148
  564   HG23  THR  75          2HG2      THR  75  -0.354  16.883   4.774
  565    H    GLN  76           H        GLN  76   2.291  17.047   1.600
  566    HA   GLN  76           HA       GLN  76   2.980  15.856  -0.851
  567    HB2  GLN  76           2HB      GLN  76   3.459  18.220  -0.379
  568    HB3  GLN  76           3HB      GLN  76   4.568  17.776   0.908
  569    HG2  GLN  76           2HG      GLN  76   5.775  18.492  -1.106
  570    HG3  GLN  76           3HG      GLN  76   6.127  16.804  -0.727
  571   HE21  GLN  76          1HE2      GLN  76   6.687  16.214  -2.817
  572   HE22  GLN  76          2HE2      GLN  76   5.567  16.169  -4.126
  573    H    LYS  77           H        LYS  77   4.150  15.329   2.397
  574    HA   LYS  77           HA       LYS  77   6.479  13.854   1.996
  575    HB2  LYS  77           2HB      LYS  77   5.737  14.641   4.199
  576    HB3  LYS  77           3HB      LYS  77   4.327  13.589   4.136
  577    HG2  LYS  77           2HG      LYS  77   5.785  11.604   4.256
  578    HG3  LYS  77           3HG      LYS  77   7.215  12.642   4.274
  579    HD2  LYS  77           2HD      LYS  77   6.472  13.626   6.423
  580    HD3  LYS  77           3HD      LYS  77   5.028  12.611   6.392
  581    HE2  LYS  77           2HE      LYS  77   6.449  10.596   6.522
  582    HE3  LYS  77           3HE      LYS  77   7.891  11.612   6.550
  583    HZ1  LYS  77           3HZ      LYS  77   5.743  11.595   8.595
  584    HZ2  LYS  77           1HZ      LYS  77   7.128  12.558   8.625
  585    HZ3  LYS  77           2HZ      LYS  77   7.264  10.882   8.755
  586    H    ASP  78           H        ASP  78   3.110  12.739   2.238
  587    HA   ASP  78           HA       ASP  78   3.501   9.965   1.868
  588    HB2  ASP  78           2HB      ASP  78   1.060  11.701   1.268
  589    HB3  ASP  78           3HB      ASP  78   1.052   9.940   1.308
  590    H    LEU  79           H        LEU  79   2.662  12.559  -0.376
  591    HA   LEU  79           HA       LEU  79   2.387  11.126  -2.748
  592    HB2  LEU  79           2HB      LEU  79   1.714  13.488  -2.451
  593    HB3  LEU  79           3HB      LEU  79   3.402  13.964  -2.327
  594    HG   LEU  79           HG       LEU  79   3.743  13.230  -4.713
  595   HD11  LEU  79          1HD1      LEU  79   1.965  11.568  -4.882
  596   HD12  LEU  79          2HD1      LEU  79   1.799  12.786  -6.138
  597   HD13  LEU  79          3HD1      LEU  79   0.739  12.831  -4.728
  598   HD21  LEU  79          3HD2      LEU  79   3.324  15.590  -4.233
  599   HD22  LEU  79          1HD2      LEU  79   1.579  15.323  -4.304
  600   HD23  LEU  79          2HD2      LEU  79   2.568  15.133  -5.754
  601    H    SER  80           H        SER  80   5.284  12.519  -1.243
  602    HA   SER  80           HA       SER  80   7.091  12.046  -3.374
  603    HB2  SER  80           2HB      SER  80   7.574  12.582  -0.416
  604    HB3  SER  80           3HB      SER  80   8.832  12.587  -1.656
  605    HG   SER  80           HG       SER  80   6.533  14.232  -1.764
  606    H    GLU  81           H        GLU  81   6.069  10.096  -0.597
  607    HA   GLU  81           HA       GLU  81   8.123   8.128  -0.728
  608    HB2  GLU  81           2HB      GLU  81   5.293   7.866   0.397
  609    HB3  GLU  81           3HB      GLU  81   6.598   6.712   0.669
  610    HG2  GLU  81           2HG      GLU  81   6.402   9.560   1.671
  611    HG3  GLU  81           3HG      GLU  81   6.410   8.075   2.621
  612    H    LEU  82           H        LEU  82   4.851   8.274  -2.041
  613    HA   LEU  82           HA       LEU  82   4.813   5.666  -3.193
  614    HB2  LEU  82           2HB      LEU  82   3.113   8.144  -3.604
  615    HB3  LEU  82           3HB      LEU  82   2.743   6.597  -4.358
  616    HG   LEU  82           HG       LEU  82   3.068   6.772  -1.345
  617   HD11  LEU  82          1HD1      LEU  82   0.501   7.328  -2.828
  618   HD12  LEU  82          2HD1      LEU  82   1.432   8.484  -1.876
  619   HD13  LEU  82          3HD1      LEU  82   0.668   7.107  -1.086
  620   HD21  LEU  82          3HD2      LEU  82   1.468   4.905  -3.126
  621   HD22  LEU  82          1HD2      LEU  82   1.589   4.817  -1.366
  622   HD23  LEU  82          2HD2      LEU  82   3.015   4.539  -2.358
  623    H    GLN  83           H        GLN  83   5.573   8.879  -4.487
  624    HA   GLN  83           HA       GLN  83   5.930   8.161  -7.219
  625    HB2  GLN  83           2HB      GLN  83   7.053  10.446  -5.544
  626    HB3  GLN  83           3HB      GLN  83   7.354  10.299  -7.272
  627    HG2  GLN  83           2HG      GLN  83   5.010  10.583  -7.774
  628    HG3  GLN  83           3HG      GLN  83   4.584  10.506  -6.067
  629   HE21  GLN  83          1HE2      GLN  83   6.727  12.237  -5.139
  630   HE22  GLN  83          2HE2      GLN  83   6.346  13.836  -5.664
  631    H    ASP  84           H        ASP  84   8.201   8.493  -4.486
  632    HA   ASP  84           HA       ASP  84  10.600   7.826  -5.812
  633    HB2  ASP  84           2HB      ASP  84  10.624   8.919  -3.620
  634    HB3  ASP  84           3HB      ASP  84   9.822   7.540  -2.876
  635    H    ALA  85           H        ALA  85   8.198   5.864  -4.135
  636    HA   ALA  85           HA       ALA  85   9.670   3.490  -3.909
  637    HB1  ALA  85           3HB      ALA  85   7.716   4.024  -2.499
  638    HB2  ALA  85           1HB      ALA  85   7.519   2.462  -3.295
  639    HB3  ALA  85           2HB      ALA  85   6.658   3.879  -3.904
  640    H    LYS  86           H        LYS  86   7.213   4.497  -6.303
  641    HA   LYS  86           HA       LYS  86   7.319   2.066  -7.788
  642    HB2  LYS  86           2HB      LYS  86   6.063   3.262  -9.546
  643    HB3  LYS  86           3HB      LYS  86   5.350   3.452  -7.952
  644    HG2  LYS  86           2HG      LYS  86   6.178   5.714  -7.765
  645    HG3  LYS  86           3HG      LYS  86   7.110   5.548  -9.254
  646    HD2  LYS  86           2HD      LYS  86   4.076   5.462  -9.048
  647    HD3  LYS  86           3HD      LYS  86   5.031   6.847  -9.583
  648    HE2  LYS  86           2HE      LYS  86   5.930   5.407 -11.445
  649    HE3  LYS  86           3HE      LYS  86   4.776   4.158 -10.965
  650    HZ1  LYS  86           3HZ      LYS  86   3.944   5.515 -12.764
  651    HZ2  LYS  86           1HZ      LYS  86   4.088   6.911 -11.821
  652    HZ3  LYS  86           2HZ      LYS  86   2.988   5.705 -11.386
  653    H    LEU  87           H        LEU  87   9.148   5.165  -8.166
  654    HA   LEU  87           HA       LEU  87  10.107   4.478 -10.775
  655    HB2  LEU  87           2HB      LEU  87  11.663   6.399 -10.562
  656    HB3  LEU  87           3HB      LEU  87   9.991   6.795 -10.248
  657    HG   LEU  87           HG       LEU  87  10.660   6.663  -7.718
  658   HD11  LEU  87          1HD1      LEU  87  13.429   7.076  -8.881
  659   HD12  LEU  87          2HD1      LEU  87  12.885   5.693  -7.928
  660   HD13  LEU  87          3HD1      LEU  87  12.969   7.287  -7.188
  661   HD21  LEU  87          3HD2      LEU  87   9.981   8.734  -8.791
  662   HD22  LEU  87          1HD2      LEU  87  11.600   8.963  -9.459
  663   HD23  LEU  87          2HD2      LEU  87  11.339   9.043  -7.713
  664    H    LYS  88           H        LYS  88  11.462   4.073  -7.511
  665    HA   LYS  88           HA       LYS  88  13.883   2.852  -8.476
  666    HB2  LYS  88           2HB      LYS  88  14.479   2.440  -6.193
  667    HB3  LYS  88           3HB      LYS  88  13.786   4.051  -6.306
  668    HG2  LYS  88           2HG      LYS  88  11.785   3.400  -5.191
  669    HG3  LYS  88           3HG      LYS  88  12.176   1.683  -5.345
  670    HD2  LYS  88           2HD      LYS  88  14.105   1.966  -3.842
  671    HD3  LYS  88           3HD      LYS  88  13.761   3.692  -3.682
  672    HE2  LYS  88           2HE      LYS  88  11.876   1.467  -2.835
  673    HE3  LYS  88           3HE      LYS  88  12.963   2.324  -1.739
  674    HZ1  LYS  88           3HZ      LYS  88  11.803   4.301  -2.023
  675    HZ2  LYS  88           1HZ      LYS  88  10.596   3.131  -1.880
  676    HZ3  LYS  88           2HZ      LYS  88  10.993   3.759  -3.397
  677    H    ALA  89           H        ALA  89  10.723   1.597  -7.407
  678    HA   ALA  89           HA       ALA  89  11.289  -1.130  -7.463
  679    HB1  ALA  89           3HB      ALA  89   9.173  -0.230  -6.623
  680    HB2  ALA  89           1HB      ALA  89   8.879  -1.472  -7.839
  681    HB3  ALA  89           2HB      ALA  89   8.700   0.234  -8.254
  682    H    GLU  90           H        GLU  90  10.590   1.080 -10.136
  683    HA   GLU  90           HA       GLU  90  10.560  -0.826 -12.233
  684    HB2  GLU  90           2HB      GLU  90  11.294   2.127 -12.238
  685    HB3  GLU  90           3HB      GLU  90  11.155   1.163 -13.702
  686    HG2  GLU  90           2HG      GLU  90   8.860   1.503 -11.749
  687    HG3  GLU  90           3HG      GLU  90   9.153   2.619 -13.075
  688    H    GLY  91           H        GLY  91  13.190   0.652 -10.421
  689    HA2  GLY  91           2HA      GLY  91  15.343  -0.356 -12.004
  690    HA3  GLY  91           3HA      GLY  91  15.417   0.243 -10.358
  691    H    LEU  92           H        LEU  92  13.396  -1.747  -9.355
  692    HA   LEU  92           HA       LEU  92  15.063  -3.848  -8.517
  693    HB2  LEU  92           2HB      LEU  92  12.023  -3.799  -8.720
  694    HB3  LEU  92           3HB      LEU  92  12.910  -5.110  -7.959
  695    HG   LEU  92           HG       LEU  92  12.881  -2.219  -6.997
  696   HD11  LEU  92          1HD1      LEU  92  11.555  -3.063  -5.104
  697   HD12  LEU  92          2HD1      LEU  92  11.518  -4.669  -5.837
  698   HD13  LEU  92          3HD1      LEU  92  10.727  -3.313  -6.640
  699   HD21  LEU  92          3HD2      LEU  92  15.025  -3.307  -6.470
  700   HD22  LEU  92          1HD2      LEU  92  14.176  -4.666  -5.723
  701   HD23  LEU  92          2HD2      LEU  92  14.075  -3.054  -5.009
  702    H    GLU  93           H        GLU  93  12.652  -3.791 -11.109
  703    HA   GLU  93           HA       GLU  93  14.268  -5.742 -12.611
  704    HB2  GLU  93           2HB      GLU  93  12.126  -6.663 -13.586
  705    HB3  GLU  93           3HB      GLU  93  12.398  -7.071 -11.897
  706    HG2  GLU  93           2HG      GLU  93  10.756  -5.440 -11.168
  707    HG3  GLU  93           3HG      GLU  93  10.570  -4.825 -12.811
  708    H    HIS  94           H        HIS  94  15.222  -4.251 -13.878
  709    HA   HIS  94           HA       HIS  94  13.824  -2.106 -15.204
  710    HB2  HIS  94           2HB      HIS  94  16.239  -1.927 -14.635
  711    HB3  HIS  94           3HB      HIS  94  16.600  -3.272 -15.711
  712    HD1  HIS  94           HD1      HIS  94  14.747   0.049 -16.163
  713    HD2  HIS  94           HD2      HIS  94  17.642  -2.284 -18.000
  714    HE1  HIS  94           HE1      HIS  94  15.440   1.324 -18.205
  715    HE2  HIS  94           HE2      HIS  94  17.342  -0.004 -19.170
  716    H    HIS  95           H        HIS  95  12.102  -3.334 -16.078
  717    HA   HIS  95           HA       HIS  95  12.652  -4.785 -18.578
  718    HB2  HIS  95           2HB      HIS  95  12.398  -6.472 -16.728
  719    HB3  HIS  95           3HB      HIS  95  10.805  -5.821 -16.362
  720    HD1  HIS  95           HD1      HIS  95  12.648  -7.522 -19.216
  721    HD2  HIS  95           HD2      HIS  95   8.779  -7.018 -17.795
  722    HE1  HIS  95           HE1      HIS  95  11.206  -8.992 -20.646
  723    HE2  HIS  95           HE2      HIS  95   8.910  -8.809 -19.646
  724    H    HIS  96           H        HIS  96  11.180  -4.368 -20.139
  725    HA   HIS  96           HA       HIS  96   9.296  -2.235 -19.884
  726    HB2  HIS  96           2HB      HIS  96   9.790  -4.252 -22.122
  727    HB3  HIS  96           3HB      HIS  96   8.698  -2.876 -22.258
  728    HD1  HIS  96           HD1      HIS  96  12.227  -3.817 -22.651
  729    HD2  HIS  96           HD2      HIS  96  10.043  -0.331 -22.180
  730    HE1  HIS  96           HE1      HIS  96  13.760  -1.962 -23.349
  731    HE2  HIS  96           HE2      HIS  96  12.398   0.138 -23.107
  732    H    HIS  97           H        HIS  97   7.126  -2.298 -19.558
  733    HA   HIS  97           HA       HIS  97   5.779  -4.761 -18.852
  734    HB2  HIS  97           2HB      HIS  97   4.759  -1.899 -19.081
  735    HB3  HIS  97           3HB      HIS  97   3.779  -3.249 -18.522
  736    HD1  HIS  97           HD1      HIS  97   4.380  -0.788 -16.704
  737    HD2  HIS  97           HD2      HIS  97   6.522  -4.350 -16.639
  738    HE1  HIS  97           HE1      HIS  97   5.426  -0.909 -14.419
  739    HE2  HIS  97           HE2      HIS  97   6.667  -3.099 -14.383
  740    H    HIS  98           H        HIS  98   6.364  -3.107 -21.762
  741    HA   HIS  98           HA       HIS  98   5.061  -5.272 -23.203
  742    HB2  HIS  98           2HB      HIS  98   3.927  -3.852 -24.838
  743    HB3  HIS  98           3HB      HIS  98   3.343  -3.419 -23.240
  744    HD1  HIS  98           HD1      HIS  98   4.236  -1.111 -22.253
  745    HD2  HIS  98           HD2      HIS  98   5.073  -1.753 -26.268
  746    HE1  HIS  98           HE1      HIS  98   4.912   1.123 -23.164
  747    HE2  HIS  98           HE2      HIS  98   5.308   0.733 -25.621
  748    H    HIS  99           H        HIS  99   6.461  -5.993 -24.781
  749    HA   HIS  99           HA       HIS  99   9.015  -4.786 -25.149
  750    HB2  HIS  99           2HB      HIS  99   8.789  -7.210 -25.393
  751    HB3  HIS  99           3HB      HIS  99   7.651  -7.022 -26.724
  752    HD1  HIS  99           HD1      HIS  99  11.315  -6.358 -25.928
  753    HD2  HIS  99           HD2      HIS  99   8.849  -6.882 -29.218
  754    HE1  HIS  99           HE1      HIS  99  12.851  -6.503 -27.897
  755    HE2  HIS  99           HE2      HIS  99  11.307  -6.551 -29.884
  Start of MODEL   16
    1    H1   GLU   1           1H       GLU   1 -11.180  -0.391  18.644
    2    H2   GLU   1           2H       GLU   1 -12.570   0.452  19.104
    3    H3   GLU   1           3H       GLU   1 -11.125   1.287  18.849
    4    HA   GLU   1           HA       GLU   1 -12.715   1.563  17.060
    5    HB2  GLU   1           2HB      GLU   1 -11.149   1.194  15.208
    6    HB3  GLU   1           3HB      GLU   1 -10.299   1.833  16.604
    7    HG2  GLU   1           2HG      GLU   1 -10.292  -1.082  15.748
    8    HG3  GLU   1           3HG      GLU   1  -9.037   0.081  15.348
    9    H    ASP   2           H        ASP   2 -14.070   0.690  15.547
   10    HA   ASP   2           HA       ASP   2 -15.048  -1.992  15.827
   11    HB2  ASP   2           2HB      ASP   2 -16.493  -0.029  15.179
   12    HB3  ASP   2           3HB      ASP   2 -15.622   0.099  13.658
   13    HA   PRO   3           HA       PRO   3 -12.299  -4.351  13.068
   14    HB2  PRO   3           2HB      PRO   3 -14.963  -5.331  11.986
   15    HB3  PRO   3           3HB      PRO   3 -13.483  -6.249  12.324
   16    HG2  PRO   3           2HG      PRO   3 -15.481  -6.261  14.084
   17    HG3  PRO   3           3HG      PRO   3 -13.798  -6.165  14.647
   18    HD2  PRO   3           2HD      PRO   3 -15.895  -4.027  14.580
   19    HD3  PRO   3           3HD      PRO   3 -14.521  -4.226  15.688
   20    H    GLU   4           H        GLU   4 -15.072  -2.651  11.584
   21    HA   GLU   4           HA       GLU   4 -13.979  -2.811   8.914
   22    HB2  GLU   4           2HB      GLU   4 -16.400  -1.305   9.963
   23    HB3  GLU   4           3HB      GLU   4 -15.948  -1.398   8.262
   24    HG2  GLU   4           2HG      GLU   4 -16.829  -3.677  10.052
   25    HG3  GLU   4           3HG      GLU   4 -17.711  -2.983   8.694
   26    H    ASP   5           H        ASP   5 -13.562  -0.572  11.518
   27    HA   ASP   5           HA       ASP   5 -12.908   1.785  10.165
   28    HB2  ASP   5           2HB      ASP   5 -11.825   0.603  12.747
   29    HB3  ASP   5           3HB      ASP   5 -11.135   2.088  12.107
   30    HA   PRO   6           HA       PRO   6  -9.580   0.672   7.498
   31    HB2  PRO   6           2HB      PRO   6  -8.121   3.055   7.455
   32    HB3  PRO   6           3HB      PRO   6  -9.593   2.761   6.520
   33    HG2  PRO   6           2HG      PRO   6  -9.284   4.142   9.185
   34    HG3  PRO   6           3HG      PRO   6 -10.249   4.637   7.774
   35    HD2  PRO   6           2HD      PRO   6 -11.417   3.456   9.868
   36    HD3  PRO   6           3HD      PRO   6 -11.926   3.045   8.213
   37    H    PHE   7           H        PHE   7  -8.630   2.360  10.487
   38    HA   PHE   7           HA       PHE   7  -5.915   1.624  10.536
   39    HB2  PHE   7           2HB      PHE   7  -6.693   3.473  11.890
   40    HB3  PHE   7           3HB      PHE   7  -7.821   2.440  12.758
   41    HD1  PHE   7           HD1      PHE   7  -4.126   2.859  12.144
   42    HD2  PHE   7           HD2      PHE   7  -7.172   1.566  14.864
   43    HE1  PHE   7           HE1      PHE   7  -2.423   2.476  13.881
   44    HE2  PHE   7           HE2      PHE   7  -5.461   1.193  16.590
   45    HZ   PHE   7           HZ       PHE   7  -3.089   1.646  16.103
   46    H    THR   8           H        THR   8  -8.816  -0.053  11.773
   47    HA   THR   8           HA       THR   8  -7.612  -1.901  13.462
   48    HB   THR   8           HB       THR   8 -10.078  -2.562  11.796
   49    HG1  THR   8           HG1      THR   8 -11.169  -1.080  12.830
   50   HG21  THR   8          3HG2      THR   8 -10.829  -3.675  13.872
   51   HG22  THR   8          1HG2      THR   8  -9.349  -3.172  14.695
   52   HG23  THR   8          2HG2      THR   8  -9.271  -4.325  13.360
   53    H    ARG   9           H        ARG   9  -8.644  -2.434  10.069
   54    HA   ARG   9           HA       ARG   9  -7.351  -4.995   9.875
   55    HB2  ARG   9           2HB      ARG   9  -8.035  -4.961   7.484
   56    HB3  ARG   9           3HB      ARG   9  -9.359  -4.719   8.608
   57    HG2  ARG   9           2HG      ARG   9  -8.338  -2.126   7.800
   58    HG3  ARG   9           3HG      ARG   9  -8.626  -3.101   6.366
   59    HD2  ARG   9           2HD      ARG   9 -10.665  -2.427   8.522
   60    HD3  ARG   9           3HD      ARG   9 -10.600  -1.767   6.886
   61    HE   ARG   9           HE       ARG   9 -10.857  -4.657   7.061
   62   HH11  ARG   9          1HH1      ARG   9 -12.595  -1.630   6.592
   63   HH12  ARG   9          2HH1      ARG   9 -14.040  -2.427   6.060
   64   HH21  ARG   9          1HH2      ARG   9 -12.755  -5.651   6.380
   65   HH22  ARG   9          2HH2      ARG   9 -14.141  -4.695   5.955
   66    H    TYR  10           H        TYR  10  -6.403  -1.724   9.156
   67    HA   TYR  10           HA       TYR  10  -4.148  -2.165   7.496
   68    HB2  TYR  10           2HB      TYR  10  -5.114   0.052   7.704
   69    HB3  TYR  10           3HB      TYR  10  -4.870   0.065   9.441
   70    HD1  TYR  10           HD1      TYR  10  -3.017   0.096   6.182
   71    HD2  TYR  10           HD2      TYR  10  -2.879   1.009  10.360
   72    HE1  TYR  10           HE1      TYR  10  -0.875   1.258   5.870
   73    HE2  TYR  10           HE2      TYR  10  -0.739   2.163  10.041
   74    HH   TYR  10           HH       TYR  10   0.417   3.043   7.019
   75    H    ALA  11           H        ALA  11  -4.391  -1.692  11.010
   76    HA   ALA  11           HA       ALA  11  -1.631  -2.156  11.590
   77    HB1  ALA  11           3HB      ALA  11  -3.033  -0.723  13.029
   78    HB2  ALA  11           1HB      ALA  11  -2.333  -2.056  13.955
   79    HB3  ALA  11           2HB      ALA  11  -4.029  -2.113  13.466
   80    H    LEU  12           H        LEU  12  -4.554  -4.133  11.601
   81    HA   LEU  12           HA       LEU  12  -3.514  -6.493  12.783
   82    HB2  LEU  12           2HB      LEU  12  -5.935  -6.014  12.492
   83    HB3  LEU  12           3HB      LEU  12  -5.756  -6.161  10.753
   84    HG   LEU  12           HG       LEU  12  -5.210  -8.575  11.010
   85   HD11  LEU  12          1HD1      LEU  12  -5.729  -8.165  13.971
   86   HD12  LEU  12          2HD1      LEU  12  -4.184  -8.572  13.222
   87   HD13  LEU  12          3HD1      LEU  12  -5.516  -9.720  13.166
   88   HD21  LEU  12          3HD2      LEU  12  -7.474  -9.338  11.634
   89   HD22  LEU  12          1HD2      LEU  12  -7.532  -7.916  10.595
   90   HD23  LEU  12          2HD2      LEU  12  -7.826  -7.755  12.327
   91    H    ALA  13           H        ALA  13  -3.611  -5.295   9.448
   92    HA   ALA  13           HA       ALA  13  -2.533  -7.553   8.121
   93    HB1  ALA  13           3HB      ALA  13  -3.679  -5.730   6.918
   94    HB2  ALA  13           1HB      ALA  13  -2.065  -6.011   6.264
   95    HB3  ALA  13           2HB      ALA  13  -2.363  -4.630   7.320
   96    H    GLN  14           H        GLN  14  -1.036  -4.648   9.513
   97    HA   GLN  14           HA       GLN  14   1.660  -5.263   8.952
   98    HB2  GLN  14           2HB      GLN  14   0.406  -3.558  11.134
   99    HB3  GLN  14           3HB      GLN  14   2.144  -3.630  10.836
  100    HG2  GLN  14           2HG      GLN  14   1.832  -2.740   8.583
  101    HG3  GLN  14           3HG      GLN  14   0.081  -2.739   8.797
  102   HE21  GLN  14          1HE2      GLN  14   1.963  -0.524   8.225
  103   HE22  GLN  14          2HE2      GLN  14   1.675   0.654   9.452
  104    H    GLU  15           H        GLU  15  -0.409  -6.201  11.694
  105    HA   GLU  15           HA       GLU  15   1.563  -7.542  13.240
  106    HB2  GLU  15           2HB      GLU  15  -1.459  -7.839  13.066
  107    HB3  GLU  15           3HB      GLU  15  -0.495  -8.839  14.151
  108    HG2  GLU  15           2HG      GLU  15  -0.651  -5.810  14.224
  109    HG3  GLU  15           3HG      GLU  15  -1.519  -6.915  15.294
  110    H    HIS  16           H        HIS  16  -0.603  -8.631  10.643
  111    HA   HIS  16           HA       HIS  16   0.086 -11.342  10.537
  112    HB2  HIS  16           2HB      HIS  16  -0.781  -9.500   8.275
  113    HB3  HIS  16           3HB      HIS  16  -0.662 -11.250   8.128
  114    HD1  HIS  16           HD1      HIS  16  -2.015 -11.805  10.983
  115    HD2  HIS  16           HD2      HIS  16  -3.522  -9.432   7.938
  116    HE1  HIS  16           HE1      HIS  16  -4.486 -11.740  11.344
  117    HE2  HIS  16           HE2      HIS  16  -5.389 -10.466   9.389
  118    H    LEU  17           H        LEU  17   1.589  -8.546   8.897
  119    HA   LEU  17           HA       LEU  17   3.541  -9.849   7.394
  120    HB2  LEU  17           2HB      LEU  17   3.523  -7.113   8.712
  121    HB3  LEU  17           3HB      LEU  17   4.813  -7.625   7.632
  122    HG   LEU  17           HG       LEU  17   1.886  -7.458   6.813
  123   HD11  LEU  17          1HD1      LEU  17   2.713  -5.219   7.335
  124   HD12  LEU  17          2HD1      LEU  17   2.447  -5.409   5.606
  125   HD13  LEU  17          3HD1      LEU  17   4.088  -5.456   6.255
  126   HD21  LEU  17          3HD2      LEU  17   2.748  -7.667   4.520
  127   HD22  LEU  17          1HD2      LEU  17   3.173  -9.072   5.495
  128   HD23  LEU  17          2HD2      LEU  17   4.391  -7.843   5.139
  129    H    LYS  18           H        LYS  18   3.624  -8.758  10.753
  130    HA   LYS  18           HA       LYS  18   6.323  -9.510  11.317
  131    HB2  LYS  18           2HB      LYS  18   3.967  -9.023  13.187
  132    HB3  LYS  18           3HB      LYS  18   5.646  -9.161  13.700
  133    HG2  LYS  18           2HG      LYS  18   6.213  -7.129  12.436
  134    HG3  LYS  18           3HG      LYS  18   4.559  -7.022  11.850
  135    HD2  LYS  18           2HD      LYS  18   4.681  -5.431  13.597
  136    HD3  LYS  18           3HD      LYS  18   3.840  -6.809  14.308
  137    HE2  LYS  18           2HE      LYS  18   6.806  -6.243  14.667
  138    HE3  LYS  18           3HE      LYS  18   5.560  -5.748  15.806
  139    HZ1  LYS  18           3HZ      LYS  18   4.992  -8.101  16.098
  140    HZ2  LYS  18           1HZ      LYS  18   6.593  -7.762  16.531
  141    HZ3  LYS  18           2HZ      LYS  18   6.262  -8.532  15.071
  142    H    HIS  19           H        HIS  19   3.205 -11.135  11.549
  143    HA   HIS  19           HA       HIS  19   4.238 -13.534  12.836
  144    HB2  HIS  19           2HB      HIS  19   1.512 -12.854  11.689
  145    HB3  HIS  19           3HB      HIS  19   1.884 -14.385  12.474
  146    HD1  HIS  19           HD1      HIS  19  -0.149 -11.978  13.352
  147    HD2  HIS  19           HD2      HIS  19   3.437 -13.082  15.137
  148    HE1  HIS  19           HE1      HIS  19  -0.319 -11.211  15.733
  149    HE2  HIS  19           HE2      HIS  19   1.798 -12.021  16.824
  150    H    ASP  20           H        ASP  20   4.657 -12.464   9.813
  151    HA   ASP  20           HA       ASP  20   5.580 -13.381   7.985
  152    HB2  ASP  20           2HB      ASP  20   6.476 -15.192   9.462
  153    HB3  ASP  20           3HB      ASP  20   5.013 -16.127   9.176
  154    H    ASN  21           H        ASN  21   2.430 -13.579   8.835
  155    HA   ASN  21           HA       ASN  21   1.266 -14.943   6.563
  156    HB2  ASN  21           2HB      ASN  21  -0.017 -13.142   8.677
  157    HB3  ASN  21           3HB      ASN  21  -0.892 -14.150   7.524
  158   HD21  ASN  21          1HD2      ASN  21  -1.038 -16.357   7.913
  159   HD22  ASN  21          2HD2      ASN  21  -0.527 -17.082   9.389
  160    H    ALA  22           H        ALA  22   2.760 -13.432   5.190
  161    HA   ALA  22           HA       ALA  22   2.072 -10.723   4.703
  162    HB1  ALA  22           3HB      ALA  22   4.242 -11.667   4.047
  163    HB2  ALA  22           1HB      ALA  22   3.423 -10.960   2.654
  164    HB3  ALA  22           2HB      ALA  22   3.450 -12.711   2.868
  165    H    SER  23           H        SER  23   0.978 -13.768   3.315
  166    HA   SER  23           HA       SER  23  -0.652 -12.937   1.232
  167    HB2  SER  23           2HB      SER  23  -1.850 -15.135   1.647
  168    HB3  SER  23           3HB      SER  23  -0.097 -15.268   1.563
  169    HG   SER  23           HG       SER  23  -1.588 -16.133   3.481
  170    H    ARG  24           H        ARG  24  -1.477 -13.313   4.695
  171    HA   ARG  24           HA       ARG  24  -4.236 -12.622   4.454
  172    HB2  ARG  24           2HB      ARG  24  -2.353 -12.679   6.857
  173    HB3  ARG  24           3HB      ARG  24  -4.095 -12.444   6.978
  174    HG2  ARG  24           2HG      ARG  24  -2.765 -14.921   5.827
  175    HG3  ARG  24           3HG      ARG  24  -3.366 -14.770   7.482
  176    HD2  ARG  24           2HD      ARG  24  -5.645 -14.393   6.624
  177    HD3  ARG  24           3HD      ARG  24  -5.050 -14.539   4.967
  178    HE   ARG  24           HE       ARG  24  -4.563 -16.808   6.737
  179   HH11  ARG  24          1HH1      ARG  24  -6.584 -15.475   4.191
  180   HH12  ARG  24          2HH1      ARG  24  -7.290 -17.010   3.783
  181   HH21  ARG  24          1HH2      ARG  24  -5.534 -18.810   6.222
  182   HH22  ARG  24          2HH2      ARG  24  -6.708 -18.893   4.945
  183    H    ALA  25           H        ALA  25  -1.282 -10.885   5.256
  184    HA   ALA  25           HA       ALA  25  -2.341  -8.369   5.969
  185    HB1  ALA  25           3HB      ALA  25  -0.061  -7.537   5.528
  186    HB2  ALA  25           1HB      ALA  25   0.341  -9.056   4.712
  187    HB3  ALA  25           2HB      ALA  25  -0.026  -9.047   6.439
  188    H    LEU  26           H        LEU  26  -1.473  -9.834   2.913
  189    HA   LEU  26           HA       LEU  26  -1.429  -7.555   1.237
  190    HB2  LEU  26           2HB      LEU  26  -0.445  -9.845   0.714
  191    HB3  LEU  26           3HB      LEU  26  -2.076 -10.425   0.437
  192    HG   LEU  26           HG       LEU  26  -2.282  -8.695  -1.426
  193   HD11  LEU  26          1HD1      LEU  26   0.709  -8.391  -1.003
  194   HD12  LEU  26          2HD1      LEU  26  -0.519  -7.157  -0.717
  195   HD13  LEU  26          3HD1      LEU  26  -0.223  -7.734  -2.349
  196   HD21  LEU  26          3HD2      LEU  26  -1.845 -11.060  -1.934
  197   HD22  LEU  26          1HD2      LEU  26  -0.109 -10.793  -1.761
  198   HD23  LEU  26          2HD2      LEU  26  -1.000 -10.009  -3.068
  199    H    ALA  27           H        ALA  27  -3.867 -10.048   1.815
  200    HA   ALA  27           HA       ALA  27  -5.973  -9.081   0.285
  201    HB1  ALA  27           3HB      ALA  27  -5.895 -11.343   1.224
  202    HB2  ALA  27           1HB      ALA  27  -7.405 -10.540   1.651
  203    HB3  ALA  27           2HB      ALA  27  -6.117 -10.693   2.850
  204    H    LEU  28           H        LEU  28  -5.214  -8.329   3.739
  205    HA   LEU  28           HA       LEU  28  -7.542  -6.771   4.200
  206    HB2  LEU  28           2HB      LEU  28  -4.877  -6.723   5.642
  207    HB3  LEU  28           3HB      LEU  28  -6.303  -5.851   6.187
  208    HG   LEU  28           HG       LEU  28  -5.921  -8.866   6.073
  209   HD11  LEU  28          1HD1      LEU  28  -6.441  -6.991   8.397
  210   HD12  LEU  28          2HD1      LEU  28  -4.909  -7.773   8.004
  211   HD13  LEU  28          3HD1      LEU  28  -6.289  -8.749   8.498
  212   HD21  LEU  28          3HD2      LEU  28  -8.205  -8.425   5.334
  213   HD22  LEU  28          1HD2      LEU  28  -8.484  -7.364   6.718
  214   HD23  LEU  28          2HD2      LEU  28  -8.217  -9.091   6.962
  215    H    PHE  29           H        PHE  29  -4.295  -5.856   3.092
  216    HA   PHE  29           HA       PHE  29  -4.757  -3.042   3.045
  217    HB2  PHE  29           2HB      PHE  29  -2.740  -4.780   1.581
  218    HB3  PHE  29           3HB      PHE  29  -2.783  -3.033   1.411
  219    HD1  PHE  29           HD2      PHE  29  -3.151  -2.051   4.143
  220    HD2  PHE  29           HD1      PHE  29  -0.755  -5.310   2.741
  221    HE1  PHE  29           HE2      PHE  29  -1.652  -1.795   6.075
  222    HE2  PHE  29           HE1      PHE  29   0.742  -5.039   4.677
  223    HZ   PHE  29           HZ       PHE  29   0.295  -3.285   6.348
  224    H    GLU  30           H        GLU  30  -5.082  -5.603   0.566
  225    HA   GLU  30           HA       GLU  30  -5.957  -4.011  -1.576
  226    HB2  GLU  30           2HB      GLU  30  -6.582  -6.903  -0.902
  227    HB3  GLU  30           3HB      GLU  30  -7.061  -6.135  -2.415
  228    HG2  GLU  30           2HG      GLU  30  -4.691  -5.723  -2.961
  229    HG3  GLU  30           3HG      GLU  30  -4.213  -6.489  -1.446
  230    H    GLU  31           H        GLU  31  -7.705  -5.374   1.166
  231    HA   GLU  31           HA       GLU  31 -10.367  -4.862   0.377
  232    HB2  GLU  31           2HB      GLU  31  -9.905  -6.377   2.234
  233    HB3  GLU  31           3HB      GLU  31  -9.072  -5.117   3.132
  234    HG2  GLU  31           2HG      GLU  31 -11.234  -5.494   4.131
  235    HG3  GLU  31           3HG      GLU  31 -11.222  -3.899   3.391
  236    H    LEU  32           H        LEU  32  -7.987  -3.015   2.242
  237    HA   LEU  32           HA       LEU  32  -9.471  -0.766   2.926
  238    HB2  LEU  32           2HB      LEU  32  -6.523  -1.200   2.440
  239    HB3  LEU  32           3HB      LEU  32  -7.123   0.385   2.899
  240    HG   LEU  32           HG       LEU  32  -7.577  -2.110   4.578
  241   HD11  LEU  32          1HD1      LEU  32  -5.795  -1.321   6.060
  242   HD12  LEU  32          2HD1      LEU  32  -5.422  -0.007   4.945
  243   HD13  LEU  32          3HD1      LEU  32  -5.163  -1.683   4.455
  244   HD21  LEU  32          3HD2      LEU  32  -8.152  -0.488   6.338
  245   HD22  LEU  32          1HD2      LEU  32  -9.219  -0.335   4.944
  246   HD23  LEU  32          2HD2      LEU  32  -7.926   0.843   5.201
  247    H    VAL  33           H        VAL  33  -7.504  -1.324  -0.012
  248    HA   VAL  33           HA       VAL  33  -7.835   1.201  -1.218
  249    HB   VAL  33           HB       VAL  33  -7.294  -1.524  -2.495
  250   HG11  VAL  33          1HG1      VAL  33  -7.016   1.231  -3.774
  251   HG12  VAL  33          2HG1      VAL  33  -8.166  -0.023  -4.235
  252   HG13  VAL  33          3HG1      VAL  33  -6.442  -0.283  -4.482
  253   HG21  VAL  33          3HG2      VAL  33  -5.395   0.729  -1.728
  254   HG22  VAL  33          1HG2      VAL  33  -4.934  -0.766  -2.550
  255   HG23  VAL  33          2HG2      VAL  33  -5.561  -0.823  -0.903
  256    H    GLU  34           H        GLU  34  -9.602  -1.864  -1.834
  257    HA   GLU  34           HA       GLU  34 -11.309  -0.760  -3.792
  258    HB2  GLU  34           2HB      GLU  34 -12.564  -2.881  -3.676
  259    HB3  GLU  34           3HB      GLU  34 -10.826  -3.141  -3.765
  260    HG2  GLU  34           2HG      GLU  34 -10.780  -3.557  -1.319
  261    HG3  GLU  34           3HG      GLU  34 -12.528  -3.355  -1.265
  262    H    THR  35           H        THR  35 -11.718  -0.981  -0.246
  263    HA   THR  35           HA       THR  35 -14.525  -0.196  -0.434
  264    HB   THR  35           HB       THR  35 -13.703  -1.910   1.271
  265    HG1  THR  35           HG1      THR  35 -15.077   0.342   2.373
  266   HG21  THR  35          3HG2      THR  35 -11.687  -0.709   2.116
  267   HG22  THR  35          1HG2      THR  35 -12.808  -1.105   3.423
  268   HG23  THR  35          2HG2      THR  35 -12.725   0.541   2.799
  269    H    ASP  36           H        ASP  36 -11.418   1.235   0.258
  270    HA   ASP  36           HA       ASP  36 -12.635   3.915   0.361
  271    HB2  ASP  36           2HB      ASP  36 -12.179   3.090   2.752
  272    HB3  ASP  36           3HB      ASP  36 -10.468   3.086   2.348
  273    HA   PRO  37           HA       PRO  37  -9.144   3.559  -2.605
  274    HB2  PRO  37           2HB      PRO  37 -10.147   5.041  -4.618
  275    HB3  PRO  37           3HB      PRO  37 -10.826   3.452  -4.231
  276    HG2  PRO  37           2HG      PRO  37 -11.861   6.181  -3.510
  277    HG3  PRO  37           3HG      PRO  37 -12.755   4.756  -4.075
  278    HD2  PRO  37           2HD      PRO  37 -12.518   5.527  -1.399
  279    HD3  PRO  37           3HD      PRO  37 -12.925   3.883  -1.943
  280    H    ASP  38           H        ASP  38  -9.614   5.954  -0.469
  281    HA   ASP  38           HA       ASP  38  -7.459   7.582  -1.676
  282    HB2  ASP  38           2HB      ASP  38  -8.393   9.640  -0.741
  283    HB3  ASP  38           3HB      ASP  38  -9.550   8.869  -1.811
  284    H    TYR  39           H        TYR  39  -8.331   5.637   0.956
  285    HA   TYR  39           HA       TYR  39  -6.737   6.796   2.982
  286    HB2  TYR  39           2HB      TYR  39  -8.382   4.901   3.340
  287    HB3  TYR  39           3HB      TYR  39  -7.238   3.808   2.571
  288    HD1  TYR  39           HD1      TYR  39  -6.691   6.547   5.120
  289    HD2  TYR  39           HD2      TYR  39  -6.455   2.360   4.296
  290    HE1  TYR  39           HE1      TYR  39  -5.626   6.171   7.302
  291    HE2  TYR  39           HE2      TYR  39  -5.384   1.993   6.477
  292    HH   TYR  39           HH       TYR  39  -5.315   4.353   8.917
  293    H    VAL  40           H        VAL  40  -4.786   7.511   2.370
  294    HA   VAL  40           HA       VAL  40  -3.200   6.497   0.262
  295    HB   VAL  40           HB       VAL  40  -2.300   8.379   2.499
  296   HG11  VAL  40          1HG1      VAL  40  -1.278   8.071  -0.348
  297   HG12  VAL  40          2HG1      VAL  40  -0.443   7.581   1.128
  298   HG13  VAL  40          3HG1      VAL  40  -0.739   9.289   0.811
  299   HG21  VAL  40          3HG2      VAL  40  -4.394   9.209   1.519
  300   HG22  VAL  40          1HG2      VAL  40  -3.698   9.117  -0.102
  301   HG23  VAL  40          2HG2      VAL  40  -3.043  10.252   1.081
  302    H    GLY  41           H        GLY  41  -3.105   6.023   3.737
  303    HA2  GLY  41           2HA      GLY  41  -0.462   5.186   4.149
  304    HA3  GLY  41           3HA      GLY  41  -1.838   4.792   5.166
  305    H    THR  42           H        THR  42  -3.313   3.381   3.176
  306    HA   THR  42           HA       THR  42  -2.377   0.765   3.322
  307    HB   THR  42           HB       THR  42  -4.212   1.983   1.211
  308    HG1  THR  42           HG1      THR  42  -5.772   1.793   2.650
  309   HG21  THR  42          3HG2      THR  42  -5.132  -0.306   1.024
  310   HG22  THR  42          1HG2      THR  42  -3.905  -0.891   2.152
  311   HG23  THR  42          2HG2      THR  42  -3.428  -0.261   0.575
  312    H    TYR  43           H        TYR  43  -2.181   3.098   0.625
  313    HA   TYR  43           HA       TYR  43  -1.432   1.295  -1.361
  314    HB2  TYR  43           2HB      TYR  43  -1.122   4.309  -1.167
  315    HB3  TYR  43           3HB      TYR  43  -0.728   3.405  -2.629
  316    HD1  TYR  43           HD1      TYR  43  -2.571   1.996  -3.714
  317    HD2  TYR  43           HD2      TYR  43  -3.431   4.972  -0.765
  318    HE1  TYR  43           HE1      TYR  43  -4.889   2.085  -4.479
  319    HE2  TYR  43           HE2      TYR  43  -5.766   5.049  -1.545
  320    HH   TYR  43           HH       TYR  43  -6.983   4.530  -3.701
  321    H    TYR  44           H        TYR  44   0.647   3.437   0.620
  322    HA   TYR  44           HA       TYR  44   3.121   2.736  -0.299
  323    HB2  TYR  44           2HB      TYR  44   2.666   4.441   1.460
  324    HB3  TYR  44           3HB      TYR  44   2.305   3.162   2.613
  325    HD1  TYR  44           HD1      TYR  44   5.111   3.991   0.218
  326    HD2  TYR  44           HD2      TYR  44   4.041   2.780   4.179
  327    HE1  TYR  44           HE1      TYR  44   7.483   3.954   0.847
  328    HE2  TYR  44           HE2      TYR  44   6.417   2.749   4.807
  329    HH   TYR  44           HH       TYR  44   8.824   4.170   2.933
  330    H    HIS  45           H        HIS  45   1.608   1.143   2.532
  331    HA   HIS  45           HA       HIS  45   3.589  -0.864   2.760
  332    HB2  HIS  45           2HB      HIS  45   0.797  -0.767   3.968
  333    HB3  HIS  45           3HB      HIS  45   2.041  -1.928   4.428
  334    HD1  HIS  45           HD1      HIS  45   3.981  -1.080   5.885
  335    HD2  HIS  45           HD2      HIS  45   1.269   1.877   4.870
  336    HE1  HIS  45           HE1      HIS  45   4.528   0.864   7.368
  337    HE2  HIS  45           HE2      HIS  45   2.938   2.685   6.652
  338    H    LEU  46           H        LEU  46   0.583  -0.871   0.988
  339    HA   LEU  46           HA       LEU  46   0.403  -3.685   0.493
  340    HB2  LEU  46           2HB      LEU  46  -1.582  -2.236   0.339
  341    HB3  LEU  46           3HB      LEU  46  -0.842  -1.312  -0.959
  342    HG   LEU  46           HG       LEU  46  -1.004  -3.227  -2.485
  343   HD11  LEU  46          1HD1      LEU  46  -2.107  -5.323  -1.899
  344   HD12  LEU  46          2HD1      LEU  46  -2.271  -4.803  -0.223
  345   HD13  LEU  46          3HD1      LEU  46  -0.668  -5.081  -0.910
  346   HD21  LEU  46          3HD2      LEU  46  -3.641  -2.714  -1.079
  347   HD22  LEU  46          1HD2      LEU  46  -3.446  -3.391  -2.700
  348   HD23  LEU  46          2HD2      LEU  46  -2.934  -1.738  -2.371
  349    H    GLY  47           H        GLY  47   1.737  -0.886  -1.251
  350    HA2  GLY  47           2HA      GLY  47   2.487  -2.282  -3.632
  351    HA3  GLY  47           3HA      GLY  47   3.003  -0.680  -3.130
  352    H    LYS  48           H        LYS  48   4.151  -1.341  -0.634
  353    HA   LYS  48           HA       LYS  48   6.785  -2.084  -1.331
  354    HB2  LYS  48           2HB      LYS  48   5.516  -2.017   1.445
  355    HB3  LYS  48           3HB      LYS  48   7.244  -2.127   1.131
  356    HG2  LYS  48           2HG      LYS  48   5.465   0.223   0.433
  357    HG3  LYS  48           3HG      LYS  48   6.539   0.135   1.819
  358    HD2  LYS  48           2HD      LYS  48   7.504   0.011  -1.067
  359    HD3  LYS  48           3HD      LYS  48   7.361   1.510  -0.151
  360    HE2  LYS  48           2HE      LYS  48   9.657   0.836  -0.060
  361    HE3  LYS  48           3HE      LYS  48   8.969   0.545   1.535
  362    HZ1  LYS  48           3HZ      LYS  48  10.409  -1.252   0.699
  363    HZ2  LYS  48           1HZ      LYS  48   9.298  -1.544  -0.543
  364    HZ3  LYS  48           2HZ      LYS  48   8.843  -1.776   1.067
  365    H    LEU  49           H        LEU  49   4.056  -3.822  -0.002
  366    HA   LEU  49           HA       LEU  49   5.403  -6.280   0.571
  367    HB2  LEU  49           2HB      LEU  49   3.297  -5.598   1.678
  368    HB3  LEU  49           3HB      LEU  49   2.444  -5.714   0.147
  369    HG   LEU  49           HG       LEU  49   2.705  -8.141   0.106
  370   HD11  LEU  49          1HD1      LEU  49   4.946  -8.356   1.067
  371   HD12  LEU  49          2HD1      LEU  49   3.807  -9.392   1.911
  372   HD13  LEU  49          3HD1      LEU  49   4.337  -7.886   2.658
  373   HD21  LEU  49          3HD2      LEU  49   0.800  -7.242   1.389
  374   HD22  LEU  49          1HD2      LEU  49   1.779  -7.231   2.863
  375   HD23  LEU  49          2HD2      LEU  49   1.367  -8.761   2.076
  376    H    TYR  50           H        TYR  50   3.528  -5.049  -2.200
  377    HA   TYR  50           HA       TYR  50   3.585  -7.326  -3.854
  378    HB2  TYR  50           2HB      TYR  50   3.436  -4.355  -4.443
  379    HB3  TYR  50           3HB      TYR  50   3.540  -5.508  -5.766
  380    HD1  TYR  50           HD2      TYR  50   1.780  -7.705  -4.783
  381    HD2  TYR  50           HD1      TYR  50   1.233  -3.468  -4.637
  382    HE1  TYR  50           HE2      TYR  50  -0.647  -8.016  -4.804
  383    HE2  TYR  50           HE1      TYR  50  -1.204  -3.792  -4.672
  384    HH   TYR  50           HH       TYR  50  -2.823  -5.499  -5.414
  385    H    GLU  51           H        GLU  51   5.973  -4.715  -3.440
  386    HA   GLU  51           HA       GLU  51   7.821  -5.469  -5.425
  387    HB2  GLU  51           2HB      GLU  51   8.369  -4.129  -2.751
  388    HB3  GLU  51           3HB      GLU  51   9.491  -4.180  -4.109
  389    HG2  GLU  51           2HG      GLU  51   8.015  -2.807  -5.447
  390    HG3  GLU  51           3HG      GLU  51   6.766  -2.869  -4.205
  391    H    ARG  52           H        ARG  52   7.448  -6.524  -2.048
  392    HA   ARG  52           HA       ARG  52   9.791  -8.149  -1.916
  393    HB2  ARG  52           2HB      ARG  52   7.239  -8.320  -0.258
  394    HB3  ARG  52           3HB      ARG  52   8.741  -9.170   0.102
  395    HG2  ARG  52           2HG      ARG  52   9.828  -6.831   0.219
  396    HG3  ARG  52           3HG      ARG  52   8.180  -6.204   0.251
  397    HD2  ARG  52           2HD      ARG  52   9.018  -6.402   2.528
  398    HD3  ARG  52           3HD      ARG  52   7.726  -7.583   2.280
  399    HE   ARG  52           HE       ARG  52   9.878  -9.054   1.693
  400   HH11  ARG  52          1HH1      ARG  52   9.307  -6.992   4.483
  401   HH12  ARG  52          2HH1      ARG  52  10.372  -7.903   5.503
  402   HH21  ARG  52          1HH2      ARG  52  11.270 -10.207   3.050
  403   HH22  ARG  52          2HH2      ARG  52  11.459  -9.719   4.706
  404    H    LEU  53           H        LEU  53   6.475  -8.746  -2.930
  405    HA   LEU  53           HA       LEU  53   6.831 -11.639  -3.182
  406    HB2  LEU  53           2HB      LEU  53   4.452  -9.862  -3.856
  407    HB3  LEU  53           3HB      LEU  53   4.435 -11.619  -3.827
  408    HG   LEU  53           HG       LEU  53   4.826  -9.806  -1.410
  409   HD11  LEU  53          1HD1      LEU  53   2.523  -9.761  -2.218
  410   HD12  LEU  53          2HD1      LEU  53   2.626 -10.603  -0.676
  411   HD13  LEU  53          3HD1      LEU  53   2.448 -11.526  -2.170
  412   HD21  LEU  53          3HD2      LEU  53   4.713 -11.860  -0.047
  413   HD22  LEU  53          1HD2      LEU  53   6.112 -11.866  -1.114
  414   HD23  LEU  53          2HD2      LEU  53   4.697 -12.841  -1.509
  415    H    ASP  54           H        ASP  54   8.075  -9.350  -4.997
  416    HA   ASP  54           HA       ASP  54   8.712  -8.983  -7.119
  417    HB2  ASP  54           2HB      ASP  54   9.525 -11.330  -6.843
  418    HB3  ASP  54           3HB      ASP  54   8.017 -11.921  -7.530
  419    H    ARG  55           H        ARG  55   5.768  -8.837  -6.389
  420    HA   ARG  55           HA       ARG  55   4.406  -8.893  -8.984
  421    HB2  ARG  55           2HB      ARG  55   3.451  -8.202  -6.162
  422    HB3  ARG  55           3HB      ARG  55   2.410  -8.228  -7.583
  423    HG2  ARG  55           2HG      ARG  55   3.893 -10.637  -6.466
  424    HG3  ARG  55           3HG      ARG  55   2.191 -10.266  -6.180
  425    HD2  ARG  55           2HD      ARG  55   3.465 -10.891  -8.867
  426    HD3  ARG  55           3HD      ARG  55   2.410 -11.958  -7.932
  427    HE   ARG  55           HE       ARG  55   1.287  -9.373  -8.642
  428   HH11  ARG  55          1HH1      ARG  55   1.448 -12.774  -9.515
  429   HH12  ARG  55          2HH1      ARG  55   0.065 -12.676 -10.552
  430   HH21  ARG  55          1HH2      ARG  55  -0.493  -9.262  -9.985
  431   HH22  ARG  55          2HH2      ARG  55  -1.047 -10.684 -10.817
  432    H    THR  56           H        THR  56   6.337  -7.257  -9.354
  433    HA   THR  56           HA       THR  56   6.254  -4.623  -8.350
  434    HB   THR  56           HB       THR  56   7.495  -5.625 -10.946
  435    HG1  THR  56           HG1      THR  56   9.396  -5.249  -9.288
  436   HG21  THR  56          3HG2      THR  56   7.297  -3.171 -10.989
  437   HG22  THR  56          1HG2      THR  56   8.982  -3.641 -10.774
  438   HG23  THR  56          2HG2      THR  56   8.044  -3.064  -9.394
  439    H    ASP  57           H        ASP  57   4.703  -6.081 -11.206
  440    HA   ASP  57           HA       ASP  57   3.833  -3.754 -12.547
  441    HB2  ASP  57           2HB      ASP  57   2.656  -6.558 -12.378
  442    HB3  ASP  57           3HB      ASP  57   1.925  -5.307 -13.376
  443    H    ASP  58           H        ASP  58   2.407  -5.619  -9.946
  444    HA   ASP  58           HA       ASP  58  -0.048  -4.178  -9.697
  445    HB2  ASP  58           2HB      ASP  58   1.366  -5.927  -7.631
  446    HB3  ASP  58           3HB      ASP  58  -0.339  -5.472  -7.626
  447    H    ALA  59           H        ALA  59   3.150  -4.039  -8.184
  448    HA   ALA  59           HA       ALA  59   2.649  -2.233  -6.087
  449    HB1  ALA  59           3HB      ALA  59   5.080  -1.823  -6.061
  450    HB2  ALA  59           1HB      ALA  59   5.242  -2.607  -7.634
  451    HB3  ALA  59           2HB      ALA  59   4.736  -3.547  -6.228
  452    H    ILE  60           H        ILE  60   3.864  -1.591  -9.406
  453    HA   ILE  60           HA       ILE  60   4.103   1.201  -9.253
  454    HB   ILE  60           HB       ILE  60   3.381  -0.336 -11.801
  455   HG12  ILE  60          2HG1      ILE  60   5.308  -1.462 -10.800
  456   HG13  ILE  60          3HG1      ILE  60   5.838  -0.569 -12.212
  457   HG21  ILE  60          1HG2      ILE  60   4.882   2.289 -11.432
  458   HG22  ILE  60          2HG2      ILE  60   3.250   2.098 -12.074
  459   HG23  ILE  60          3HG2      ILE  60   4.628   1.465 -12.977
  460   HD11  ILE  60          3HD1      ILE  60   7.440  -0.408 -10.419
  461   HD12  ILE  60          1HD1      ILE  60   6.214   0.251  -9.337
  462   HD13  ILE  60          2HD1      ILE  60   6.737   1.174 -10.748
  463    H    ASP  61           H        ASP  61   1.366  -0.842 -10.155
  464    HA   ASP  61           HA       ASP  61  -0.517   1.128 -10.906
  465    HB2  ASP  61           2HB      ASP  61  -0.908  -1.207 -11.455
  466    HB3  ASP  61           3HB      ASP  61  -0.854  -1.678  -9.763
  467    H    THR  62           H        THR  62   0.148  -0.434  -7.788
  468    HA   THR  62           HA       THR  62  -1.952   0.769  -6.301
  469    HB   THR  62           HB       THR  62   0.623  -0.564  -5.341
  470    HG1  THR  62           HG1      THR  62  -1.025  -1.777  -6.634
  471   HG21  THR  62          3HG2      THR  62  -0.563  -0.951  -3.205
  472   HG22  THR  62          1HG2      THR  62  -1.929   0.001  -3.779
  473   HG23  THR  62          2HG2      THR  62  -0.365   0.775  -3.507
  474    H    TYR  63           H        TYR  63   1.416   1.654  -6.865
  475    HA   TYR  63           HA       TYR  63   1.471   3.857  -5.034
  476    HB2  TYR  63           2HB      TYR  63   3.297   3.125  -7.350
  477    HB3  TYR  63           3HB      TYR  63   3.585   4.497  -6.279
  478    HD1  TYR  63           HD2      TYR  63   3.013   3.494  -3.623
  479    HD2  TYR  63           HD1      TYR  63   4.938   1.498  -6.863
  480    HE1  TYR  63           HE2      TYR  63   4.202   2.059  -2.035
  481    HE2  TYR  63           HE1      TYR  63   6.123   0.070  -5.275
  482    HH   TYR  63           HH       TYR  63   6.826   0.150  -2.970
  483    H    ALA  64           H        ALA  64   0.963   3.537  -8.551
  484    HA   ALA  64           HA       ALA  64   0.687   6.210  -9.267
  485    HB1  ALA  64           3HB      ALA  64   0.815   4.398 -10.913
  486    HB2  ALA  64           1HB      ALA  64  -0.620   5.387 -11.207
  487    HB3  ALA  64           2HB      ALA  64  -0.776   3.811 -10.425
  488    H    GLN  65           H        GLN  65  -1.833   3.948  -8.164
  489    HA   GLN  65           HA       GLN  65  -4.011   5.728  -7.984
  490    HB2  GLN  65           2HB      GLN  65  -3.357   3.151  -6.517
  491    HB3  GLN  65           3HB      GLN  65  -4.847   4.032  -6.201
  492    HG2  GLN  65           2HG      GLN  65  -4.158   3.216  -9.014
  493    HG3  GLN  65           3HG      GLN  65  -4.833   2.038  -7.896
  494   HE21  GLN  65          1HE2      GLN  65  -5.807   5.476  -7.950
  495   HE22  GLN  65          2HE2      GLN  65  -7.408   5.168  -8.500
  496    H    GLY  66           H        GLY  66  -1.529   4.802  -5.672
  497    HA2  GLY  66           2HA      GLY  66  -2.344   6.183  -3.391
  498    HA3  GLY  66           3HA      GLY  66  -0.695   5.734  -3.779
  499    H    ILE  67           H        ILE  67  -0.277   7.276  -6.059
  500    HA   ILE  67           HA       ILE  67   0.625   9.697  -5.049
  501    HB   ILE  67           HB       ILE  67   0.172   8.680  -7.882
  502   HG12  ILE  67          2HG1      ILE  67   2.780   9.175  -6.355
  503   HG13  ILE  67          3HG1      ILE  67   1.952   7.625  -6.420
  504   HG21  ILE  67          1HG2      ILE  67   1.548  11.308  -7.193
  505   HG22  ILE  67          2HG2      ILE  67   0.029  11.124  -8.068
  506   HG23  ILE  67          3HG2      ILE  67   1.529  10.542  -8.785
  507   HD11  ILE  67          3HD1      ILE  67   2.293   7.498  -8.799
  508   HD12  ILE  67          1HD1      ILE  67   3.822   7.762  -7.964
  509   HD13  ILE  67          2HD1      ILE  67   3.040   9.097  -8.807
  510    H    GLU  68           H        GLU  68  -2.247   9.020  -7.021
  511    HA   GLU  68           HA       GLU  68  -3.199  11.606  -7.483
  512    HB2  GLU  68           2HB      GLU  68  -4.839   9.067  -7.028
  513    HB3  GLU  68           3HB      GLU  68  -5.401  10.519  -7.857
  514    HG2  GLU  68           2HG      GLU  68  -3.797  10.154  -9.666
  515    HG3  GLU  68           3HG      GLU  68  -3.105   8.778  -8.811
  516    H    VAL  69           H        VAL  69  -3.783   9.379  -4.830
  517    HA   VAL  69           HA       VAL  69  -5.581  11.208  -3.451
  518    HB   VAL  69           HB       VAL  69  -6.058   9.398  -1.928
  519   HG11  VAL  69          1HG1      VAL  69  -5.977   8.416  -4.816
  520   HG12  VAL  69          2HG1      VAL  69  -7.239   9.412  -4.087
  521   HG13  VAL  69          3HG1      VAL  69  -6.996   7.759  -3.533
  522   HG21  VAL  69          3HG2      VAL  69  -5.018   7.170  -2.102
  523   HG22  VAL  69          1HG2      VAL  69  -3.818   8.393  -1.683
  524   HG23  VAL  69          2HG2      VAL  69  -3.903   7.772  -3.332
  525    H    ALA  70           H        ALA  70  -2.209  10.453  -3.336
  526    HA   ALA  70           HA       ALA  70  -1.742  11.089  -0.563
  527    HB1  ALA  70           3HB      ALA  70   0.642  11.030  -1.135
  528    HB2  ALA  70           1HB      ALA  70   0.243  10.971  -2.856
  529    HB3  ALA  70           2HB      ALA  70  -0.200   9.630  -1.802
  530    H    ARG  71           H        ARG  71  -1.261  12.764  -3.647
  531    HA   ARG  71           HA       ARG  71  -0.238  15.167  -2.585
  532    HB2  ARG  71           2HB      ARG  71  -0.701  16.141  -4.826
  533    HB3  ARG  71           3HB      ARG  71   0.154  14.607  -4.902
  534    HG2  ARG  71           2HG      ARG  71  -2.056  13.491  -5.389
  535    HG3  ARG  71           3HG      ARG  71  -2.770  15.102  -5.520
  536    HD2  ARG  71           2HD      ARG  71  -1.268  15.645  -7.381
  537    HD3  ARG  71           3HD      ARG  71  -0.450  14.088  -7.204
  538    HE   ARG  71           HE       ARG  71  -3.327  14.141  -7.821
  539   HH11  ARG  71          1HH1      ARG  71  -0.065  13.355  -8.864
  540   HH12  ARG  71          2HH1      ARG  71  -0.597  12.470 -10.260
  541   HH21  ARG  71          1HH2      ARG  71  -4.004  12.976  -9.656
  542   HH22  ARG  71          2HH2      ARG  71  -2.822  12.253 -10.702
  543    H    GLU  72           H        GLU  72  -3.570  14.128  -3.207
  544    HA   GLU  72           HA       GLU  72  -4.652  16.780  -2.580
  545    HB2  GLU  72           2HB      GLU  72  -6.034  14.196  -3.387
  546    HB3  GLU  72           3HB      GLU  72  -6.839  15.750  -3.172
  547    HG2  GLU  72           2HG      GLU  72  -5.427  16.696  -5.004
  548    HG3  GLU  72           3HG      GLU  72  -4.712  15.103  -5.241
  549    H    GLU  73           H        GLU  73  -5.040  13.454  -1.280
  550    HA   GLU  73           HA       GLU  73  -6.676  14.438   0.936
  551    HB2  GLU  73           2HB      GLU  73  -5.979  11.550   0.258
  552    HB3  GLU  73           3HB      GLU  73  -7.272  12.106   1.321
  553    HG2  GLU  73           2HG      GLU  73  -7.118  12.499  -1.689
  554    HG3  GLU  73           3HG      GLU  73  -8.157  11.359  -0.837
  555    H    GLY  74           H        GLY  74  -3.597  12.644   0.476
  556    HA2  GLY  74           2HA      GLY  74  -3.026  12.612   3.362
  557    HA3  GLY  74           3HA      GLY  74  -2.102  11.835   2.081
  558    H    THR  75           H        THR  75  -0.144  12.775   3.012
  559    HA   THR  75           HA       THR  75   0.196  15.678   2.411
  560    HB   THR  75           HB       THR  75   2.114  15.654   3.977
  561    HG1  THR  75           HG1      THR  75   1.639  12.939   3.905
  562   HG21  THR  75          3HG2      THR  75   0.872  15.387   6.097
  563   HG22  THR  75          1HG2      THR  75  -0.412  14.522   5.250
  564   HG23  THR  75          2HG2      THR  75  -0.113  16.226   4.900
  565    H    GLN  76           H        GLN  76   2.535  16.244   1.822
  566    HA   GLN  76           HA       GLN  76   3.342  14.922  -0.559
  567    HB2  GLN  76           2HB      GLN  76   3.720  17.325  -0.223
  568    HB3  GLN  76           3HB      GLN  76   4.786  17.004   1.142
  569    HG2  GLN  76           2HG      GLN  76   6.411  15.927  -0.391
  570    HG3  GLN  76           3HG      GLN  76   5.336  16.234  -1.750
  571   HE21  GLN  76          1HE2      GLN  76   5.201  18.338  -2.584
  572   HE22  GLN  76          2HE2      GLN  76   6.332  19.575  -2.182
  573    H    LYS  77           H        LYS  77   4.280  14.570   2.788
  574    HA   LYS  77           HA       LYS  77   6.657  13.123   2.667
  575    HB2  LYS  77           2HB      LYS  77   5.551  13.847   4.780
  576    HB3  LYS  77           3HB      LYS  77   4.269  12.673   4.510
  577    HG2  LYS  77           2HG      LYS  77   6.349  10.953   4.502
  578    HG3  LYS  77           3HG      LYS  77   7.100  12.238   5.444
  579    HD2  LYS  77           2HD      LYS  77   6.106  10.640   6.978
  580    HD3  LYS  77           3HD      LYS  77   5.160  12.131   7.049
  581    HE2  LYS  77           2HE      LYS  77   3.485  11.110   5.512
  582    HE3  LYS  77           3HE      LYS  77   4.432   9.621   5.495
  583    HZ1  LYS  77           3HZ      LYS  77   2.636   9.430   7.034
  584    HZ2  LYS  77           1HZ      LYS  77   3.102  10.841   7.841
  585    HZ3  LYS  77           2HZ      LYS  77   4.083   9.464   7.899
  586    H    ASP  78           H        ASP  78   3.292  11.961   2.511
  587    HA   ASP  78           HA       ASP  78   3.828   9.200   2.077
  588    HB2  ASP  78           2HB      ASP  78   1.329  10.801   1.341
  589    HB3  ASP  78           3HB      ASP  78   1.430   9.046   1.398
  590    H    LEU  79           H        LEU  79   3.061  11.922  -0.062
  591    HA   LEU  79           HA       LEU  79   2.839  10.594  -2.505
  592    HB2  LEU  79           2HB      LEU  79   2.149  12.951  -2.065
  593    HB3  LEU  79           3HB      LEU  79   3.838  13.422  -1.984
  594    HG   LEU  79           HG       LEU  79   4.106  12.772  -4.396
  595   HD11  LEU  79          1HD1      LEU  79   2.342  11.104  -4.572
  596   HD12  LEU  79          2HD1      LEU  79   2.116  12.369  -5.777
  597   HD13  LEU  79          3HD1      LEU  79   1.106  12.345  -4.326
  598   HD21  LEU  79          3HD2      LEU  79   3.681  15.110  -3.824
  599   HD22  LEU  79          1HD2      LEU  79   1.939  14.834  -3.862
  600   HD23  LEU  79          2HD2      LEU  79   2.890  14.700  -5.342
  601    H    SER  80           H        SER  80   5.699  11.871  -0.866
  602    HA   SER  80           HA       SER  80   7.579  11.541  -2.972
  603    HB2  SER  80           2HB      SER  80   8.034  11.736   0.040
  604    HB3  SER  80           3HB      SER  80   9.294  11.876  -1.188
  605    HG   SER  80           HG       SER  80   7.037  13.544  -1.317
  606    H    GLU  81           H        GLU  81   6.565   9.528  -0.233
  607    HA   GLU  81           HA       GLU  81   8.426   7.420  -0.554
  608    HB2  GLU  81           2HB      GLU  81   5.640   7.436   0.691
  609    HB3  GLU  81           3HB      GLU  81   6.763   6.086   0.810
  610    HG2  GLU  81           2HG      GLU  81   7.127   8.861   1.952
  611    HG3  GLU  81           3HG      GLU  81   6.856   7.363   2.843
  612    H    LEU  82           H        LEU  82   5.183   7.916  -1.861
  613    HA   LEU  82           HA       LEU  82   4.878   5.321  -3.021
  614    HB2  LEU  82           2HB      LEU  82   3.427   7.941  -3.554
  615    HB3  LEU  82           3HB      LEU  82   2.889   6.367  -4.135
  616    HG   LEU  82           HG       LEU  82   3.232   7.004  -1.177
  617   HD11  LEU  82          1HD1      LEU  82   0.820   7.284  -1.024
  618   HD12  LEU  82          2HD1      LEU  82   0.679   7.132  -2.777
  619   HD13  LEU  82          3HD1      LEU  82   1.546   8.499  -2.075
  620   HD21  LEU  82          3HD2      LEU  82   1.757   4.744  -2.559
  621   HD22  LEU  82          1HD2      LEU  82   1.834   5.030  -0.818
  622   HD23  LEU  82          2HD2      LEU  82   3.297   4.617  -1.704
  623    H    GLN  83           H        GLN  83   5.707   8.513  -4.366
  624    HA   GLN  83           HA       GLN  83   6.071   7.737  -7.062
  625    HB2  GLN  83           2HB      GLN  83   7.110  10.131  -5.496
  626    HB3  GLN  83           3HB      GLN  83   7.398   9.932  -7.221
  627    HG2  GLN  83           2HG      GLN  83   5.000   9.957  -7.664
  628    HG3  GLN  83           3HG      GLN  83   4.652  10.047  -5.943
  629   HE21  GLN  83          1HE2      GLN  83   6.701  12.031  -5.358
  630   HE22  GLN  83          2HE2      GLN  83   6.139  13.518  -6.028
  631    H    ASP  84           H        ASP  84   8.315   7.873  -4.315
  632    HA   ASP  84           HA       ASP  84  10.714   7.346  -5.763
  633    HB2  ASP  84           2HB      ASP  84  10.878   8.282  -3.529
  634    HB3  ASP  84           3HB      ASP  84  10.007   6.919  -2.830
  635    H    ALA  85           H        ALA  85   8.516   5.245  -3.906
  636    HA   ALA  85           HA       ALA  85  10.044   2.900  -4.129
  637    HB1  ALA  85           3HB      ALA  85   8.394   3.234  -2.365
  638    HB2  ALA  85           1HB      ALA  85   8.051   1.753  -3.263
  639    HB3  ALA  85           2HB      ALA  85   7.088   3.206  -3.552
  640    H    LYS  86           H        LYS  86   7.340   4.122  -6.164
  641    HA   LYS  86           HA       LYS  86   7.250   1.833  -7.850
  642    HB2  LYS  86           2HB      LYS  86   5.992   3.189  -9.480
  643    HB3  LYS  86           3HB      LYS  86   5.350   3.340  -7.855
  644    HG2  LYS  86           2HG      LYS  86   6.296   5.532  -7.596
  645    HG3  LYS  86           3HG      LYS  86   7.183   5.388  -9.113
  646    HD2  LYS  86           2HD      LYS  86   4.149   5.427  -8.869
  647    HD3  LYS  86           3HD      LYS  86   5.150   6.822  -9.276
  648    HE2  LYS  86           2HE      LYS  86   5.989   5.503 -11.273
  649    HE3  LYS  86           3HE      LYS  86   4.745   4.306 -10.918
  650    HZ1  LYS  86           3HZ      LYS  86   3.066   5.955 -11.250
  651    HZ2  LYS  86           1HZ      LYS  86   4.093   5.958 -12.593
  652    HZ3  LYS  86           2HZ      LYS  86   4.218   7.178 -11.435
  653    H    LEU  87           H        LEU  87   9.084   4.935  -8.190
  654    HA   LEU  87           HA       LEU  87  10.034   4.273 -10.804
  655    HB2  LEU  87           2HB      LEU  87  11.527   6.200 -10.679
  656    HB3  LEU  87           3HB      LEU  87   9.908   6.601 -10.159
  657    HG   LEU  87           HG       LEU  87  10.858   6.387  -7.727
  658   HD11  LEU  87          1HD1      LEU  87  13.484   6.755  -9.190
  659   HD12  LEU  87          2HD1      LEU  87  13.010   5.373  -8.198
  660   HD13  LEU  87          3HD1      LEU  87  13.228   6.952  -7.453
  661   HD21  LEU  87          3HD2      LEU  87  10.128   8.510  -8.721
  662   HD22  LEU  87          1HD2      LEU  87  11.712   8.722  -9.474
  663   HD23  LEU  87          2HD2      LEU  87  11.553   8.737  -7.717
  664    H    LYS  88           H        LYS  88  11.366   3.655  -7.578
  665    HA   LYS  88           HA       LYS  88  13.854   2.605  -8.550
  666    HB2  LYS  88           2HB      LYS  88  14.362   2.083  -6.297
  667    HB3  LYS  88           3HB      LYS  88  13.404   3.548  -6.222
  668    HG2  LYS  88           2HG      LYS  88  12.354   2.448  -4.533
  669    HG3  LYS  88           3HG      LYS  88  11.426   1.747  -5.856
  670    HD2  LYS  88           2HD      LYS  88  13.247  -0.133  -5.855
  671    HD3  LYS  88           3HD      LYS  88  13.690   0.507  -4.271
  672    HE2  LYS  88           2HE      LYS  88  11.024  -0.671  -5.105
  673    HE3  LYS  88           3HE      LYS  88  12.179  -1.347  -3.954
  674    HZ1  LYS  88           3HZ      LYS  88  10.323  -0.311  -2.844
  675    HZ2  LYS  88           1HZ      LYS  88  10.634   1.161  -3.608
  676    HZ3  LYS  88           2HZ      LYS  88  11.744   0.538  -2.494
  677    H    ALA  89           H        ALA  89  10.656   1.225  -7.829
  678    HA   ALA  89           HA       ALA  89  11.357  -1.507  -8.281
  679    HB1  ALA  89           3HB      ALA  89   8.632  -0.173  -8.446
  680    HB2  ALA  89           1HB      ALA  89   9.367  -0.826  -6.979
  681    HB3  ALA  89           2HB      ALA  89   8.940  -1.905  -8.306
  682    H    GLU  90           H        GLU  90  10.428   1.162 -10.392
  683    HA   GLU  90           HA       GLU  90  10.242  -0.294 -12.831
  684    HB2  GLU  90           2HB      GLU  90  11.009   2.602 -12.250
  685    HB3  GLU  90           3HB      GLU  90  10.897   1.961 -13.887
  686    HG2  GLU  90           2HG      GLU  90   8.600   1.945 -11.912
  687    HG3  GLU  90           3HG      GLU  90   8.879   3.229 -13.083
  688    H    GLY  91           H        GLY  91  12.929   1.112 -10.988
  689    HA2  GLY  91           2HA      GLY  91  15.090   0.603 -12.654
  690    HA3  GLY  91           3HA      GLY  91  15.144   0.606 -10.898
  691    H    LEU  92           H        LEU  92  13.072  -1.711 -11.102
  692    HA   LEU  92           HA       LEU  92  14.930  -3.941 -11.345
  693    HB2  LEU  92           2HB      LEU  92  11.961  -3.917 -10.659
  694    HB3  LEU  92           3HB      LEU  92  13.042  -5.294 -10.499
  695    HG   LEU  92           HG       LEU  92  13.178  -2.717  -8.889
  696   HD11  LEU  92          1HD1      LEU  92  11.282  -4.124  -8.236
  697   HD12  LEU  92          2HD1      LEU  92  12.499  -4.079  -6.967
  698   HD13  LEU  92          3HD1      LEU  92  12.360  -5.501  -8.003
  699   HD21  LEU  92          3HD2      LEU  92  14.934  -5.189  -8.700
  700   HD22  LEU  92          1HD2      LEU  92  14.936  -3.840  -7.555
  701   HD23  LEU  92          2HD2      LEU  92  15.430  -3.575  -9.223
  702    H    GLU  93           H        GLU  93  11.667  -3.209 -12.712
  703    HA   GLU  93           HA       GLU  93  11.969  -5.473 -14.547
  704    HB2  GLU  93           2HB      GLU  93   9.534  -3.790 -13.869
  705    HB3  GLU  93           3HB      GLU  93   9.523  -5.220 -14.895
  706    HG2  GLU  93           2HG      GLU  93  10.196  -5.135 -11.939
  707    HG3  GLU  93           3HG      GLU  93   8.708  -5.739 -12.663
  708    H    HIS  94           H        HIS  94  11.899  -1.996 -14.765
  709    HA   HIS  94           HA       HIS  94  11.095  -1.651 -17.455
  710    HB2  HIS  94           2HB      HIS  94  11.272   0.182 -15.722
  711    HB3  HIS  94           3HB      HIS  94  13.020   0.142 -15.914
  712    HD1  HIS  94           HD1      HIS  94  13.999   1.242 -18.027
  713    HD2  HIS  94           HD2      HIS  94   9.851   1.337 -17.856
  714    HE1  HIS  94           HE1      HIS  94  13.290   2.841 -19.821
  715    HE2  HIS  94           HE2      HIS  94  10.793   2.993 -19.587
  716    H    HIS  95           H        HIS  95  14.217  -2.356 -15.979
  717    HA   HIS  95           HA       HIS  95  15.732  -2.623 -18.407
  718    HB2  HIS  95           2HB      HIS  95  16.868  -2.344 -16.226
  719    HB3  HIS  95           3HB      HIS  95  16.149  -3.831 -15.626
  720    HD1  HIS  95           HD1      HIS  95  17.437  -5.936 -16.009
  721    HD2  HIS  95           HD2      HIS  95  18.862  -2.815 -18.341
  722    HE1  HIS  95           HE1      HIS  95  19.572  -6.784 -17.013
  723    HE2  HIS  95           HE2      HIS  95  20.405  -4.872 -18.437
  724    H    HIS  96           H        HIS  96  14.101  -3.688 -19.673
  725    HA   HIS  96           HA       HIS  96  12.994  -6.235 -19.035
  726    HB2  HIS  96           2HB      HIS  96  12.306  -6.259 -21.502
  727    HB3  HIS  96           3HB      HIS  96  11.743  -4.886 -20.567
  728    HD1  HIS  96           HD1      HIS  96  11.981  -2.711 -21.733
  729    HD2  HIS  96           HD2      HIS  96  14.761  -5.461 -23.126
  730    HE1  HIS  96           HE1      HIS  96  13.137  -1.586 -23.648
  731    HE2  HIS  96           HE2      HIS  96  14.736  -3.311 -24.546
  732    H    HIS  97           H        HIS  97  13.925  -8.182 -19.135
  733    HA   HIS  97           HA       HIS  97  16.562  -8.579 -20.229
  734    HB2  HIS  97           2HB      HIS  97  15.759  -9.761 -18.159
  735    HB3  HIS  97           3HB      HIS  97  14.613 -10.664 -19.144
  736    HD1  HIS  97           HD1      HIS  97  15.462 -12.871 -19.986
  737    HD2  HIS  97           HD2      HIS  97  18.567 -10.289 -19.016
  738    HE1  HIS  97           HE1      HIS  97  17.565 -14.198 -20.299
  739    HE2  HIS  97           HE2      HIS  97  19.418 -12.654 -19.599
  740    H    HIS  98           H        HIS  98  13.349  -9.958 -20.895
  741    HA   HIS  98           HA       HIS  98  13.553  -9.749 -23.724
  742    HB2  HIS  98           2HB      HIS  98  15.028 -11.765 -23.332
  743    HB3  HIS  98           3HB      HIS  98  13.664 -12.589 -22.589
  744    HD1  HIS  98           HD1      HIS  98  11.677 -13.264 -24.215
  745    HD2  HIS  98           HD2      HIS  98  15.072 -11.773 -26.088
  746    HE1  HIS  98           HE1      HIS  98  11.461 -13.918 -26.633
  747    HE2  HIS  98           HE2      HIS  98  13.463 -12.874 -27.759
  748    H    HIS  99           H        HIS  99  11.488  -9.754 -24.570
  749    HA   HIS  99           HA       HIS  99   9.207 -10.399 -22.841
  750    HB2  HIS  99           2HB      HIS  99   9.426  -9.084 -25.589
  751    HB3  HIS  99           3HB      HIS  99   7.881  -9.492 -24.848
  752    HD1  HIS  99           HD1      HIS  99  10.563  -6.945 -24.808
  753    HD2  HIS  99           HD2      HIS  99   7.246  -7.944 -22.514
  754    HE1  HIS  99           HE1      HIS  99  10.138  -4.950 -23.338
  755    HE2  HIS  99           HE2      HIS  99   8.071  -5.549 -22.022
  Start of MODEL   17
    1    H1   GLU   1           1H       GLU   1 -14.961  -4.221  21.300
    2    H2   GLU   1           2H       GLU   1 -14.226  -5.664  20.817
    3    H3   GLU   1           3H       GLU   1 -15.569  -5.073  19.978
    4    HA   GLU   1           HA       GLU   1 -14.358  -3.168  19.258
    5    HB2  GLU   1           2HB      GLU   1 -12.025  -4.459  20.728
    6    HB3  GLU   1           3HB      GLU   1 -11.884  -3.061  19.662
    7    HG2  GLU   1           2HG      GLU   1 -13.362  -1.759  21.181
    8    HG3  GLU   1           3HG      GLU   1 -13.473  -3.158  22.254
    9    H    ASP   2           H        ASP   2 -14.130  -3.477  17.131
   10    HA   ASP   2           HA       ASP   2 -13.025  -6.028  16.094
   11    HB2  ASP   2           2HB      ASP   2 -15.383  -4.385  15.056
   12    HB3  ASP   2           3HB      ASP   2 -14.639  -5.695  14.141
   13    HA   PRO   3           HA       PRO   3 -10.312  -3.353  13.740
   14    HB2  PRO   3           2HB      PRO   3  -9.298  -5.065  11.926
   15    HB3  PRO   3           3HB      PRO   3  -9.014  -5.302  13.659
   16    HG2  PRO   3           2HG      PRO   3 -11.049  -6.646  11.875
   17    HG3  PRO   3           3HG      PRO   3  -9.945  -7.378  13.060
   18    HD2  PRO   3           2HD      PRO   3 -12.580  -6.789  13.610
   19    HD3  PRO   3           3HD      PRO   3 -11.310  -6.840  14.852
   20    H    GLU   4           H        GLU   4 -13.256  -3.477  12.849
   21    HA   GLU   4           HA       GLU   4 -13.411  -3.417  10.040
   22    HB2  GLU   4           2HB      GLU   4 -15.207  -2.068  12.096
   23    HB3  GLU   4           3HB      GLU   4 -15.610  -2.292  10.392
   24    HG2  GLU   4           2HG      GLU   4 -15.524  -4.750  10.695
   25    HG3  GLU   4           3HG      GLU   4 -15.133  -4.530  12.400
   26    H    ASP   5           H        ASP   5 -12.472  -0.970  12.347
   27    HA   ASP   5           HA       ASP   5 -12.639   1.338  10.720
   28    HB2  ASP   5           2HB      ASP   5 -10.783   0.688  13.053
   29    HB3  ASP   5           3HB      ASP   5 -10.952   2.289  12.341
   30    HA   PRO   6           HA       PRO   6  -9.610   0.669   7.541
   31    HB2  PRO   6           2HB      PRO   6  -8.921   3.586   7.946
   32    HB3  PRO   6           3HB      PRO   6  -9.281   2.719   6.443
   33    HG2  PRO   6           2HG      PRO   6 -11.117   4.290   7.565
   34    HG3  PRO   6           3HG      PRO   6 -11.594   2.734   6.846
   35    HD2  PRO   6           2HD      PRO   6 -11.269   3.466   9.750
   36    HD3  PRO   6           3HD      PRO   6 -12.457   2.390   8.986
   37    H    PHE   7           H        PHE   7  -8.386   2.832  10.116
   38    HA   PHE   7           HA       PHE   7  -5.651   2.235   9.811
   39    HB2  PHE   7           2HB      PHE   7  -6.478   4.252  10.981
   40    HB3  PHE   7           3HB      PHE   7  -7.109   3.257  12.286
   41    HD1  PHE   7           HD2      PHE   7  -3.912   4.133  10.528
   42    HD2  PHE   7           HD1      PHE   7  -5.705   2.784  14.169
   43    HE1  PHE   7           HE2      PHE   7  -1.733   4.285  11.663
   44    HE2  PHE   7           HE1      PHE   7  -3.522   2.931  15.289
   45    HZ   PHE   7           HZ       PHE   7  -1.534   3.678  14.039
   46    H    THR   8           H        THR   8  -8.167   0.635  11.728
   47    HA   THR   8           HA       THR   8  -6.352  -0.742  13.460
   48    HB   THR   8           HB       THR   8  -9.277  -1.447  12.993
   49    HG1  THR   8           HG1      THR   8  -8.123   0.506  14.735
   50   HG21  THR   8          3HG2      THR   8  -9.190  -2.210  15.355
   51   HG22  THR   8          1HG2      THR   8  -7.481  -1.786  15.438
   52   HG23  THR   8          2HG2      THR   8  -8.018  -3.085  14.369
   53    H    ARG   9           H        ARG   9  -8.243  -1.734  10.564
   54    HA   ARG   9           HA       ARG   9  -7.243  -4.449  10.528
   55    HB2  ARG   9           2HB      ARG   9  -8.351  -4.661   8.342
   56    HB3  ARG   9           3HB      ARG   9  -9.417  -3.902   9.511
   57    HG2  ARG   9           2HG      ARG   9  -8.367  -1.671   8.390
   58    HG3  ARG   9           3HG      ARG   9  -8.210  -2.779   7.026
   59    HD2  ARG   9           2HD      ARG   9 -10.756  -2.036   8.497
   60    HD3  ARG   9           3HD      ARG   9 -10.300  -1.563   6.863
   61    HE   ARG   9           HE       ARG   9 -10.362  -4.322   6.841
   62   HH11  ARG   9          1HH1      ARG   9 -12.671  -1.746   7.452
   63   HH12  ARG   9          2HH1      ARG   9 -14.030  -2.704   6.967
   64   HH21  ARG   9          1HH2      ARG   9 -12.181  -5.538   6.224
   65   HH22  ARG   9          2HH2      ARG   9 -13.760  -4.833   6.291
   66    H    TYR  10           H        TYR  10  -6.228  -1.394   9.234
   67    HA   TYR  10           HA       TYR  10  -4.207  -2.210   7.434
   68    HB2  TYR  10           2HB      TYR  10  -5.026   0.058   7.409
   69    HB3  TYR  10           3HB      TYR  10  -4.637   0.295   9.103
   70    HD1  TYR  10           HD2      TYR  10  -2.926  -0.469   5.836
   71    HD2  TYR  10           HD1      TYR  10  -2.691   1.503   9.625
   72    HE1  TYR  10           HE2      TYR  10  -0.788   0.547   5.188
   73    HE2  TYR  10           HE1      TYR  10  -0.556   2.514   8.964
   74    HH   TYR  10           HH       TYR  10   1.236   2.158   7.421
   75    H    ALA  11           H        ALA  11  -4.083  -1.316  10.868
   76    HA   ALA  11           HA       ALA  11  -1.333  -1.882  11.307
   77    HB1  ALA  11           3HB      ALA  11  -2.627  -0.366  12.751
   78    HB2  ALA  11           1HB      ALA  11  -1.900  -1.664  13.699
   79    HB3  ALA  11           2HB      ALA  11  -3.623  -1.714  13.304
   80    H    LEU  12           H        LEU  12  -4.305  -3.756  11.560
   81    HA   LEU  12           HA       LEU  12  -3.239  -6.089  12.797
   82    HB2  LEU  12           2HB      LEU  12  -5.663  -5.565  12.784
   83    HB3  LEU  12           3HB      LEU  12  -5.707  -5.769  11.042
   84    HG   LEU  12           HG       LEU  12  -5.054  -8.199  11.382
   85   HD11  LEU  12          1HD1      LEU  12  -5.314  -9.224  13.587
   86   HD12  LEU  12          2HD1      LEU  12  -5.573  -7.637  14.310
   87   HD13  LEU  12          3HD1      LEU  12  -4.010  -8.035  13.592
   88   HD21  LEU  12          3HD2      LEU  12  -7.390  -7.578  10.955
   89   HD22  LEU  12          1HD2      LEU  12  -7.655  -7.346  12.688
   90   HD23  LEU  12          2HD2      LEU  12  -7.285  -8.951  12.056
   91    H    ALA  13           H        ALA  13  -3.611  -5.022   9.455
   92    HA   ALA  13           HA       ALA  13  -2.833  -7.399   8.133
   93    HB1  ALA  13           3HB      ALA  13  -2.516  -4.523   7.196
   94    HB2  ALA  13           1HB      ALA  13  -3.937  -5.540   6.953
   95    HB3  ALA  13           2HB      ALA  13  -2.411  -5.959   6.174
   96    H    GLN  14           H        GLN  14  -1.024  -4.587   9.305
   97    HA   GLN  14           HA       GLN  14   1.574  -5.419   8.521
   98    HB2  GLN  14           2HB      GLN  14   0.729  -3.564  10.788
   99    HB3  GLN  14           3HB      GLN  14   2.365  -3.716  10.141
  100    HG2  GLN  14           2HG      GLN  14   1.611  -2.889   7.957
  101    HG3  GLN  14           3HG      GLN  14  -0.047  -2.797   8.544
  102   HE21  GLN  14          1HE2      GLN  14   1.629  -0.677   7.459
  103   HE22  GLN  14          2HE2      GLN  14   1.702   0.539   8.681
  104    H    GLU  15           H        GLU  15  -0.390  -6.151  11.369
  105    HA   GLU  15           HA       GLU  15   1.592  -7.606  12.800
  106    HB2  GLU  15           2HB      GLU  15  -1.443  -7.716  12.888
  107    HB3  GLU  15           3HB      GLU  15  -0.429  -8.693  13.945
  108    HG2  GLU  15           2HG      GLU  15  -0.527  -5.661  13.849
  109    HG3  GLU  15           3HG      GLU  15  -1.234  -6.696  15.092
  110    H    HIS  16           H        HIS  16  -0.899  -8.614  10.428
  111    HA   HIS  16           HA       HIS  16  -0.317 -11.370  10.473
  112    HB2  HIS  16           2HB      HIS  16  -1.642  -9.621   8.386
  113    HB3  HIS  16           3HB      HIS  16  -1.352 -11.328   8.077
  114    HD1  HIS  16           HD1      HIS  16  -2.494 -13.017   9.871
  115    HD2  HIS  16           HD2      HIS  16  -3.952  -9.132   9.781
  116    HE1  HIS  16           HE1      HIS  16  -4.717 -13.103  11.017
  117    HE2  HIS  16           HE2      HIS  16  -5.656 -10.794  10.749
  118    H    LEU  17           H        LEU  17   1.203  -8.716   8.703
  119    HA   LEU  17           HA       LEU  17   2.834 -10.151   6.944
  120    HB2  LEU  17           2HB      LEU  17   3.296  -7.520   8.386
  121    HB3  LEU  17           3HB      LEU  17   4.396  -8.133   7.162
  122    HG   LEU  17           HG       LEU  17   1.466  -7.455   6.668
  123   HD11  LEU  17          1HD1      LEU  17   2.748  -5.418   7.114
  124   HD12  LEU  17          2HD1      LEU  17   2.280  -5.509   5.418
  125   HD13  LEU  17          3HD1      LEU  17   3.939  -5.880   5.893
  126   HD21  LEU  17          3HD2      LEU  17   2.028  -7.709   4.285
  127   HD22  LEU  17          1HD2      LEU  17   2.264  -9.216   5.166
  128   HD23  LEU  17          2HD2      LEU  17   3.659  -8.230   4.713
  129    H    LYS  18           H        LYS  18   3.579  -9.012  10.272
  130    HA   LYS  18           HA       LYS  18   6.106 -10.385  10.386
  131    HB2  LYS  18           2HB      LYS  18   6.266  -9.580  12.682
  132    HB3  LYS  18           3HB      LYS  18   5.690  -8.283  11.640
  133    HG2  LYS  18           2HG      LYS  18   3.343  -8.798  12.422
  134    HG3  LYS  18           3HG      LYS  18   4.036  -9.920  13.596
  135    HD2  LYS  18           2HD      LYS  18   4.577  -6.929  13.440
  136    HD3  LYS  18           3HD      LYS  18   3.513  -7.718  14.599
  137    HE2  LYS  18           2HE      LYS  18   5.443  -8.902  15.571
  138    HE3  LYS  18           3HE      LYS  18   6.516  -8.139  14.396
  139    HZ1  LYS  18           3HZ      LYS  18   4.905  -6.712  16.437
  140    HZ2  LYS  18           1HZ      LYS  18   5.974  -5.997  15.333
  141    HZ3  LYS  18           2HZ      LYS  18   6.562  -7.028  16.539
  142    H    HIS  19           H        HIS  19   2.824 -11.313  11.134
  143    HA   HIS  19           HA       HIS  19   3.606 -13.750  12.514
  144    HB2  HIS  19           2HB      HIS  19   0.880 -12.792  11.577
  145    HB3  HIS  19           3HB      HIS  19   1.165 -14.203  12.596
  146    HD1  HIS  19           HD1      HIS  19  -0.597 -11.697  13.422
  147    HD2  HIS  19           HD2      HIS  19   3.326 -12.383  14.602
  148    HE1  HIS  19           HE1      HIS  19  -0.269 -10.341  15.509
  149    HE2  HIS  19           HE2      HIS  19   2.040 -10.927  16.300
  150    H    ASP  20           H        ASP  20   4.173 -13.106   9.504
  151    HA   ASP  20           HA       ASP  20   4.831 -14.421   7.776
  152    HB2  ASP  20           2HB      ASP  20   5.371 -16.216   9.352
  153    HB3  ASP  20           3HB      ASP  20   3.688 -16.719   9.417
  154    H    ASN  21           H        ASN  21   1.654 -13.935   8.620
  155    HA   ASN  21           HA       ASN  21   0.345 -15.279   6.393
  156    HB2  ASN  21           2HB      ASN  21  -0.804 -13.325   8.434
  157    HB3  ASN  21           3HB      ASN  21  -1.726 -14.355   7.355
  158   HD21  ASN  21          1HD2      ASN  21   0.047 -16.701   7.875
  159   HD22  ASN  21          2HD2      ASN  21  -0.378 -17.232   9.460
  160    H    ALA  22           H        ALA  22   2.060 -13.849   5.087
  161    HA   ALA  22           HA       ALA  22   1.558 -11.083   4.692
  162    HB1  ALA  22           3HB      ALA  22   3.731 -12.130   4.189
  163    HB2  ALA  22           1HB      ALA  22   3.075 -11.324   2.763
  164    HB3  ALA  22           2HB      ALA  22   2.990 -13.082   2.899
  165    H    SER  23           H        SER  23   0.481 -14.023   3.044
  166    HA   SER  23           HA       SER  23  -1.012 -12.910   0.959
  167    HB2  SER  23           2HB      SER  23  -2.193 -15.152   0.964
  168    HB3  SER  23           3HB      SER  23  -0.433 -15.255   0.962
  169    HG   SER  23           HG       SER  23  -1.943 -16.478   2.604
  170    H    ARG  24           H        ARG  24  -1.927 -13.527   4.352
  171    HA   ARG  24           HA       ARG  24  -4.725 -12.967   4.006
  172    HB2  ARG  24           2HB      ARG  24  -2.992 -13.120   6.516
  173    HB3  ARG  24           3HB      ARG  24  -4.748 -13.024   6.519
  174    HG2  ARG  24           2HG      ARG  24  -3.158 -15.317   5.304
  175    HG3  ARG  24           3HG      ARG  24  -3.878 -15.328   6.915
  176    HD2  ARG  24           2HD      ARG  24  -6.116 -15.104   5.950
  177    HD3  ARG  24           3HD      ARG  24  -5.426 -15.002   4.325
  178    HE   ARG  24           HE       ARG  24  -4.697 -17.408   5.736
  179   HH11  ARG  24          1HH1      ARG  24  -7.186 -15.988   3.698
  180   HH12  ARG  24          2HH1      ARG  24  -7.775 -17.524   3.147
  181   HH21  ARG  24          1HH2      ARG  24  -5.470 -19.407   4.996
  182   HH22  ARG  24          2HH2      ARG  24  -6.794 -19.459   3.875
  183    H    ALA  25           H        ALA  25  -1.886 -11.214   5.098
  184    HA   ALA  25           HA       ALA  25  -3.061  -8.731   5.801
  185    HB1  ALA  25           3HB      ALA  25  -0.244  -9.376   4.838
  186    HB2  ALA  25           1HB      ALA  25  -0.800  -9.402   6.512
  187    HB3  ALA  25           2HB      ALA  25  -0.745  -7.877   5.630
  188    H    LEU  26           H        LEU  26  -1.924 -10.166   2.830
  189    HA   LEU  26           HA       LEU  26  -1.807  -7.934   1.111
  190    HB2  LEU  26           2HB      LEU  26  -0.836 -10.187   0.629
  191    HB3  LEU  26           3HB      LEU  26  -2.454 -10.838   0.456
  192    HG   LEU  26           HG       LEU  26  -2.790  -9.360  -1.554
  193   HD11  LEU  26          1HD1      LEU  26   0.137  -8.684  -1.209
  194   HD12  LEU  26          2HD1      LEU  26  -1.217  -7.568  -1.030
  195   HD13  LEU  26          3HD1      LEU  26  -0.860  -8.274  -2.605
  196   HD21  LEU  26          3HD2      LEU  26  -2.072 -11.701  -1.837
  197   HD22  LEU  26          1HD2      LEU  26  -0.380 -11.200  -1.718
  198   HD23  LEU  26          2HD2      LEU  26  -1.370 -10.660  -3.073
  199    H    ALA  27           H        ALA  27  -4.329 -10.351   1.677
  200    HA   ALA  27           HA       ALA  27  -6.428  -9.320   0.199
  201    HB1  ALA  27           3HB      ALA  27  -6.419 -11.548   1.243
  202    HB2  ALA  27           1HB      ALA  27  -7.882 -10.658   1.666
  203    HB3  ALA  27           2HB      ALA  27  -6.571 -10.814   2.841
  204    H    LEU  28           H        LEU  28  -5.534  -8.540   3.599
  205    HA   LEU  28           HA       LEU  28  -7.692  -6.805   4.154
  206    HB2  LEU  28           2HB      LEU  28  -4.930  -7.050   5.368
  207    HB3  LEU  28           3HB      LEU  28  -6.078  -5.856   5.951
  208    HG   LEU  28           HG       LEU  28  -6.545  -8.873   5.989
  209   HD11  LEU  28          1HD1      LEU  28  -4.813  -8.205   7.605
  210   HD12  LEU  28          2HD1      LEU  28  -6.286  -8.698   8.434
  211   HD13  LEU  28          3HD1      LEU  28  -5.895  -6.982   8.279
  212   HD21  LEU  28          3HD2      LEU  28  -8.530  -8.340   7.348
  213   HD22  LEU  28          1HD2      LEU  28  -8.649  -7.617   5.747
  214   HD23  LEU  28          2HD2      LEU  28  -8.228  -6.614   7.137
  215    H    PHE  29           H        PHE  29  -4.461  -6.082   2.830
  216    HA   PHE  29           HA       PHE  29  -4.784  -3.250   2.787
  217    HB2  PHE  29           2HB      PHE  29  -2.891  -5.069   1.264
  218    HB3  PHE  29           3HB      PHE  29  -2.859  -3.325   1.109
  219    HD1  PHE  29           HD2      PHE  29  -2.970  -2.228   3.748
  220    HD2  PHE  29           HD1      PHE  29  -1.039  -5.834   2.478
  221    HE1  PHE  29           HE2      PHE  29  -1.379  -2.053   5.623
  222    HE2  PHE  29           HE1      PHE  29   0.542  -5.642   4.349
  223    HZ   PHE  29           HZ       PHE  29   0.377  -3.760   5.927
  224    H    GLU  30           H        GLU  30  -5.242  -5.768   0.301
  225    HA   GLU  30           HA       GLU  30  -6.071  -4.106  -1.824
  226    HB2  GLU  30           2HB      GLU  30  -6.681  -7.035  -1.261
  227    HB3  GLU  30           3HB      GLU  30  -7.000  -6.239  -2.796
  228    HG2  GLU  30           2HG      GLU  30  -4.618  -5.833  -3.132
  229    HG3  GLU  30           3HG      GLU  30  -4.247  -6.496  -1.542
  230    H    GLU  31           H        GLU  31  -7.793  -5.517   0.901
  231    HA   GLU  31           HA       GLU  31 -10.444  -4.883   0.051
  232    HB2  GLU  31           2HB      GLU  31  -9.996  -6.639   1.723
  233    HB3  GLU  31           3HB      GLU  31  -9.296  -5.451   2.816
  234    HG2  GLU  31           2HG      GLU  31 -11.507  -4.359   3.046
  235    HG3  GLU  31           3HG      GLU  31 -12.203  -5.552   1.945
  236    H    LEU  32           H        LEU  32  -7.951  -3.279   1.999
  237    HA   LEU  32           HA       LEU  32  -9.386  -1.015   2.818
  238    HB2  LEU  32           2HB      LEU  32  -6.463  -1.603   2.397
  239    HB3  LEU  32           3HB      LEU  32  -6.954   0.037   2.773
  240    HG   LEU  32           HG       LEU  32  -7.672  -2.318   4.567
  241   HD11  LEU  32          1HD1      LEU  32  -5.281  -0.465   4.829
  242   HD12  LEU  32          2HD1      LEU  32  -5.219  -2.180   4.420
  243   HD13  LEU  32          3HD1      LEU  32  -5.791  -1.681   6.008
  244   HD21  LEU  32          3HD2      LEU  32  -7.627   0.686   5.056
  245   HD22  LEU  32          1HD2      LEU  32  -8.045  -0.556   6.243
  246   HD23  LEU  32          2HD2      LEU  32  -9.069  -0.308   4.836
  247    H    VAL  33           H        VAL  33  -7.592  -1.650  -0.192
  248    HA   VAL  33           HA       VAL  33  -7.792   0.902  -1.359
  249    HB   VAL  33           HB       VAL  33  -7.673  -1.830  -2.718
  250   HG11  VAL  33          1HG1      VAL  33  -6.867  -0.633  -4.749
  251   HG12  VAL  33          2HG1      VAL  33  -7.226   0.908  -3.966
  252   HG13  VAL  33          3HG1      VAL  33  -8.534  -0.215  -4.339
  253   HG21  VAL  33          3HG2      VAL  33  -5.456   0.173  -2.122
  254   HG22  VAL  33          1HG2      VAL  33  -5.266  -1.358  -2.989
  255   HG23  VAL  33          2HG2      VAL  33  -5.720  -1.360  -1.288
  256    H    GLU  34           H        GLU  34  -9.917  -1.956  -1.765
  257    HA   GLU  34           HA       GLU  34 -11.659  -0.732  -3.610
  258    HB2  GLU  34           2HB      GLU  34 -13.099  -2.703  -3.344
  259    HB3  GLU  34           3HB      GLU  34 -11.404  -3.158  -3.476
  260    HG2  GLU  34           2HG      GLU  34 -11.306  -3.428  -1.008
  261    HG3  GLU  34           3HG      GLU  34 -13.024  -3.052  -0.917
  262    H    THR  35           H        THR  35 -11.961  -0.974  -0.003
  263    HA   THR  35           HA       THR  35 -14.573   0.313  -0.071
  264    HB   THR  35           HB       THR  35 -14.186  -1.487   1.581
  265    HG1  THR  35           HG1      THR  35 -14.518   0.978   2.955
  266   HG21  THR  35          3HG2      THR  35 -12.224   0.399   2.945
  267   HG22  THR  35          1HG2      THR  35 -11.782  -1.083   2.104
  268   HG23  THR  35          2HG2      THR  35 -12.773  -1.161   3.559
  269    H    ASP  36           H        ASP  36 -11.225   1.206   0.655
  270    HA   ASP  36           HA       ASP  36 -12.028   4.006   1.147
  271    HB2  ASP  36           2HB      ASP  36 -10.193   2.295   2.866
  272    HB3  ASP  36           3HB      ASP  36 -10.046   4.047   2.849
  273    HA   PRO  37           HA       PRO  37  -8.817   3.526  -2.178
  274    HB2  PRO  37           2HB      PRO  37 -10.318   5.589  -3.663
  275    HB3  PRO  37           3HB      PRO  37  -9.965   3.925  -4.132
  276    HG2  PRO  37           2HG      PRO  37 -12.483   4.731  -3.479
  277    HG3  PRO  37           3HG      PRO  37 -11.891   3.089  -3.148
  278    HD2  PRO  37           2HD      PRO  37 -12.085   5.440  -1.264
  279    HD3  PRO  37           3HD      PRO  37 -12.586   3.750  -1.007
  280    H    ASP  38           H        ASP  38  -9.709   5.938  -0.086
  281    HA   ASP  38           HA       ASP  38  -7.739   7.935  -1.009
  282    HB2  ASP  38           2HB      ASP  38 -10.146   8.220   0.852
  283    HB3  ASP  38           3HB      ASP  38  -9.018   9.516   0.470
  284    H    TYR  39           H        TYR  39  -7.139   5.416   0.542
  285    HA   TYR  39           HA       TYR  39  -6.115   6.604   3.058
  286    HB2  TYR  39           2HB      TYR  39  -7.794   4.643   3.288
  287    HB3  TYR  39           3HB      TYR  39  -6.543   3.613   2.600
  288    HD1  TYR  39           HD1      TYR  39  -7.548   5.560   5.574
  289    HD2  TYR  39           HD2      TYR  39  -4.479   3.102   3.909
  290    HE1  TYR  39           HE1      TYR  39  -6.531   5.312   7.798
  291    HE2  TYR  39           HE2      TYR  39  -3.471   2.843   6.126
  292    HH   TYR  39           HH       TYR  39  -5.034   3.945   9.014
  293    H    VAL  40           H        VAL  40  -4.165   7.287   2.468
  294    HA   VAL  40           HA       VAL  40  -2.681   6.410   0.232
  295    HB   VAL  40           HB       VAL  40  -1.840   8.146   2.605
  296   HG11  VAL  40          1HG1      VAL  40   0.139   7.362   1.375
  297   HG12  VAL  40          2HG1      VAL  40  -0.114   9.082   1.112
  298   HG13  VAL  40          3HG1      VAL  40  -0.559   7.933  -0.143
  299   HG21  VAL  40          3HG2      VAL  40  -2.995   8.957  -0.093
  300   HG22  VAL  40          1HG2      VAL  40  -2.420  10.074   1.148
  301   HG23  VAL  40          2HG2      VAL  40  -3.823   9.050   1.462
  302    H    GLY  41           H        GLY  41  -2.404   5.732   3.699
  303    HA2  GLY  41           2HA      GLY  41   0.208   4.670   3.798
  304    HA3  GLY  41           3HA      GLY  41  -1.068   4.366   4.965
  305    H    THR  42           H        THR  42  -2.896   3.174   3.028
  306    HA   THR  42           HA       THR  42  -2.223   0.467   3.060
  307    HB   THR  42           HB       THR  42  -4.156   1.992   1.258
  308    HG1  THR  42           HG1      THR  42  -5.631   1.422   2.781
  309   HG21  THR  42          3HG2      THR  42  -3.917  -1.013   1.669
  310   HG22  THR  42          1HG2      THR  42  -3.605  -0.144   0.168
  311   HG23  THR  42          2HG2      THR  42  -5.239  -0.198   0.829
  312    H    TYR  43           H        TYR  43  -1.978   2.838   0.388
  313    HA   TYR  43           HA       TYR  43  -1.266   0.994  -1.599
  314    HB2  TYR  43           2HB      TYR  43  -0.879   4.005  -1.505
  315    HB3  TYR  43           3HB      TYR  43  -0.622   3.027  -2.951
  316    HD1  TYR  43           HD2      TYR  43  -2.568   1.718  -3.922
  317    HD2  TYR  43           HD1      TYR  43  -3.143   4.658  -0.873
  318    HE1  TYR  43           HE2      TYR  43  -4.956   1.789  -4.439
  319    HE2  TYR  43           HE1      TYR  43  -5.543   4.712  -1.399
  320    HH   TYR  43           HH       TYR  43  -6.995   4.171  -3.385
  321    H    TYR  44           H        TYR  44   0.847   3.184   0.312
  322    HA   TYR  44           HA       TYR  44   3.291   2.436  -0.668
  323    HB2  TYR  44           2HB      TYR  44   2.769   4.235   1.066
  324    HB3  TYR  44           3HB      TYR  44   2.756   2.959   2.284
  325    HD1  TYR  44           HD2      TYR  44   4.918   4.691  -0.228
  326    HD2  TYR  44           HD1      TYR  44   4.866   2.109   3.182
  327    HE1  TYR  44           HE2      TYR  44   7.357   4.911  -0.019
  328    HE2  TYR  44           HE1      TYR  44   7.304   2.324   3.375
  329    HH   TYR  44           HH       TYR  44   9.078   4.681   1.815
  330    H    HIS  45           H        HIS  45   1.736   0.989   2.167
  331    HA   HIS  45           HA       HIS  45   3.745  -1.009   2.545
  332    HB2  HIS  45           2HB      HIS  45   1.005  -0.680   3.828
  333    HB3  HIS  45           3HB      HIS  45   2.177  -1.900   4.328
  334    HD1  HIS  45           HD1      HIS  45   3.470  -1.161   6.318
  335    HD2  HIS  45           HD2      HIS  45   2.440   2.060   3.919
  336    HE1  HIS  45           HE1      HIS  45   4.383   0.858   7.477
  337    HE2  HIS  45           HE2      HIS  45   3.928   2.762   5.904
  338    H    LEU  46           H        LEU  46   0.747  -1.044   0.797
  339    HA   LEU  46           HA       LEU  46   0.555  -3.882   0.411
  340    HB2  LEU  46           2HB      LEU  46  -1.452  -2.516   0.239
  341    HB3  LEU  46           3HB      LEU  46  -0.731  -1.533  -1.019
  342    HG   LEU  46           HG       LEU  46  -0.839  -3.412  -2.609
  343   HD11  LEU  46          1HD1      LEU  46  -1.947  -5.527  -2.087
  344   HD12  LEU  46          2HD1      LEU  46  -2.131  -5.037  -0.404
  345   HD13  LEU  46          3HD1      LEU  46  -0.523  -5.303  -1.074
  346   HD21  LEU  46          3HD2      LEU  46  -2.784  -1.920  -2.477
  347   HD22  LEU  46          1HD2      LEU  46  -3.507  -2.949  -1.232
  348   HD23  LEU  46          2HD2      LEU  46  -3.274  -3.566  -2.869
  349    H    GLY  47           H        GLY  47   1.901  -1.126  -1.405
  350    HA2  GLY  47           2HA      GLY  47   2.679  -2.595  -3.730
  351    HA3  GLY  47           3HA      GLY  47   3.219  -0.987  -3.266
  352    H    LYS  48           H        LYS  48   4.197  -1.748  -0.685
  353    HA   LYS  48           HA       LYS  48   6.833  -2.637  -1.187
  354    HB2  LYS  48           2HB      LYS  48   5.205  -2.265   1.356
  355    HB3  LYS  48           3HB      LYS  48   6.842  -2.913   1.428
  356    HG2  LYS  48           2HG      LYS  48   6.095  -0.220   0.235
  357    HG3  LYS  48           3HG      LYS  48   6.738  -0.470   1.865
  358    HD2  LYS  48           2HD      LYS  48   8.833  -1.324   0.979
  359    HD3  LYS  48           3HD      LYS  48   8.188  -1.329  -0.665
  360    HE2  LYS  48           2HE      LYS  48   8.591   1.172   0.991
  361    HE3  LYS  48           3HE      LYS  48   9.744   0.563  -0.199
  362    HZ1  LYS  48           3HZ      LYS  48   8.074   0.774  -1.901
  363    HZ2  LYS  48           1HZ      LYS  48   8.309   2.262  -1.122
  364    HZ3  LYS  48           2HZ      LYS  48   6.940   1.327  -0.779
  365    H    LEU  49           H        LEU  49   3.950  -4.219   0.052
  366    HA   LEU  49           HA       LEU  49   5.107  -6.755   0.609
  367    HB2  LEU  49           2HB      LEU  49   2.988  -6.018   1.597
  368    HB3  LEU  49           3HB      LEU  49   2.227  -5.981   0.017
  369    HG   LEU  49           HG       LEU  49   2.304  -8.417  -0.149
  370   HD11  LEU  49          1HD1      LEU  49   3.180  -9.846   1.665
  371   HD12  LEU  49          2HD1      LEU  49   3.779  -8.418   2.512
  372   HD13  LEU  49          3HD1      LEU  49   4.458  -8.868   0.945
  373   HD21  LEU  49          3HD2      LEU  49   0.803  -9.020   1.707
  374   HD22  LEU  49          1HD2      LEU  49   0.394  -7.430   1.064
  375   HD23  LEU  49          2HD2      LEU  49   1.278  -7.566   2.587
  376    H    TYR  50           H        TYR  50   3.518  -5.369  -2.249
  377    HA   TYR  50           HA       TYR  50   3.598  -7.607  -3.946
  378    HB2  TYR  50           2HB      TYR  50   3.630  -4.628  -4.526
  379    HB3  TYR  50           3HB      TYR  50   3.654  -5.820  -5.819
  380    HD1  TYR  50           HD1      TYR  50   1.719  -7.863  -4.736
  381    HD2  TYR  50           HD2      TYR  50   1.508  -3.593  -4.823
  382    HE1  TYR  50           HE1      TYR  50  -0.738  -7.976  -4.787
  383    HE2  TYR  50           HE2      TYR  50  -0.938  -3.716  -4.859
  384    HH   TYR  50           HH       TYR  50  -2.655  -6.582  -4.216
  385    H    GLU  51           H        GLU  51   6.042  -5.048  -3.403
  386    HA   GLU  51           HA       GLU  51   7.947  -5.888  -5.287
  387    HB2  GLU  51           2HB      GLU  51   8.334  -4.454  -2.636
  388    HB3  GLU  51           3HB      GLU  51   9.624  -4.688  -3.810
  389    HG2  GLU  51           2HG      GLU  51   8.297  -3.380  -5.476
  390    HG3  GLU  51           3HG      GLU  51   7.084  -3.079  -4.229
  391    H    ARG  52           H        ARG  52   7.395  -6.901  -1.938
  392    HA   ARG  52           HA       ARG  52   9.608  -8.659  -1.651
  393    HB2  ARG  52           2HB      ARG  52   6.895  -8.681  -0.261
  394    HB3  ARG  52           3HB      ARG  52   8.280  -9.645   0.245
  395    HG2  ARG  52           2HG      ARG  52   9.546  -7.504   0.645
  396    HG3  ARG  52           3HG      ARG  52   8.068  -6.614   0.267
  397    HD2  ARG  52           2HD      ARG  52   8.403  -6.872   2.710
  398    HD3  ARG  52           3HD      ARG  52   6.920  -7.664   2.157
  399    HE   ARG  52           HE       ARG  52   9.036  -9.525   2.117
  400   HH11  ARG  52          1HH1      ARG  52   7.101  -7.827   4.499
  401   HH12  ARG  52          2HH1      ARG  52   7.259  -9.084   5.679
  402   HH21  ARG  52          1HH2      ARG  52   9.201 -11.162   3.651
  403   HH22  ARG  52          2HH2      ARG  52   8.454 -10.974   5.205
  404    H    LEU  53           H        LEU  53   6.319  -9.094  -2.857
  405    HA   LEU  53           HA       LEU  53   6.574 -11.979  -3.203
  406    HB2  LEU  53           2HB      LEU  53   4.308 -10.069  -3.886
  407    HB3  LEU  53           3HB      LEU  53   4.213 -11.820  -4.018
  408    HG   LEU  53           HG       LEU  53   4.576 -10.257  -1.428
  409   HD11  LEU  53          1HD1      LEU  53   2.311 -11.027  -0.859
  410   HD12  LEU  53          2HD1      LEU  53   2.155 -11.759  -2.459
  411   HD13  LEU  53          3HD1      LEU  53   2.314 -10.007  -2.299
  412   HD21  LEU  53          3HD2      LEU  53   5.731 -12.416  -1.290
  413   HD22  LEU  53          1HD2      LEU  53   4.273 -13.253  -1.836
  414   HD23  LEU  53          2HD2      LEU  53   4.288 -12.418  -0.281
  415    H    ASP  54           H        ASP  54   8.056  -9.761  -4.874
  416    HA   ASP  54           HA       ASP  54   8.933  -9.475  -6.901
  417    HB2  ASP  54           2HB      ASP  54   9.284 -11.986  -6.634
  418    HB3  ASP  54           3HB      ASP  54   7.843 -12.233  -7.613
  419    H    ARG  55           H        ARG  55   5.968  -9.017  -6.395
  420    HA   ARG  55           HA       ARG  55   4.786  -8.999  -9.075
  421    HB2  ARG  55           2HB      ARG  55   3.567  -8.311  -6.366
  422    HB3  ARG  55           3HB      ARG  55   2.689  -8.297  -7.893
  423    HG2  ARG  55           2HG      ARG  55   3.892 -10.712  -6.497
  424    HG3  ARG  55           3HG      ARG  55   2.178 -10.341  -6.705
  425    HD2  ARG  55           2HD      ARG  55   4.170 -11.099  -8.872
  426    HD3  ARG  55           3HD      ARG  55   2.787 -12.047  -8.314
  427    HE   ARG  55           HE       ARG  55   1.607  -9.788  -9.182
  428   HH11  ARG  55          1HH1      ARG  55   3.929 -11.903 -10.775
  429   HH12  ARG  55          2HH1      ARG  55   3.378 -11.483 -12.365
  430   HH21  ARG  55          1HH2      ARG  55   0.926  -9.241 -11.252
  431   HH22  ARG  55          2HH2      ARG  55   1.663  -9.983 -12.642
  432    H    THR  56           H        THR  56   6.575  -7.456  -9.585
  433    HA   THR  56           HA       THR  56   6.668  -4.795  -8.661
  434    HB   THR  56           HB       THR  56   7.587  -5.939 -11.331
  435    HG1  THR  56           HG1      THR  56   8.569  -6.083  -8.743
  436   HG21  THR  56          3HG2      THR  56   8.497  -3.405  -9.904
  437   HG22  THR  56          1HG2      THR  56   7.541  -3.462 -11.386
  438   HG23  THR  56          2HG2      THR  56   9.197  -4.061 -11.384
  439    H    ASP  57           H        ASP  57   4.851  -6.280 -11.363
  440    HA   ASP  57           HA       ASP  57   3.973  -3.936 -12.680
  441    HB2  ASP  57           2HB      ASP  57   2.682  -6.688 -12.460
  442    HB3  ASP  57           3HB      ASP  57   2.028  -5.411 -13.481
  443    H    ASP  58           H        ASP  58   2.498  -5.872 -10.132
  444    HA   ASP  58           HA       ASP  58   0.137  -4.427  -9.699
  445    HB2  ASP  58           2HB      ASP  58   1.799  -6.127  -7.793
  446    HB3  ASP  58           3HB      ASP  58   0.169  -5.557  -7.444
  447    H    ALA  59           H        ALA  59   3.362  -4.218  -8.220
  448    HA   ALA  59           HA       ALA  59   2.832  -2.436  -6.135
  449    HB1  ALA  59           3HB      ALA  59   5.265  -2.067  -6.059
  450    HB2  ALA  59           1HB      ALA  59   5.440  -2.804  -7.657
  451    HB3  ALA  59           2HB      ALA  59   4.896  -3.776  -6.288
  452    H    ILE  60           H        ILE  60   4.085  -1.724  -9.424
  453    HA   ILE  60           HA       ILE  60   4.442   1.049  -9.071
  454    HB   ILE  60           HB       ILE  60   3.844  -0.282 -11.756
  455   HG12  ILE  60          2HG1      ILE  60   5.646  -1.577 -10.768
  456   HG13  ILE  60          3HG1      ILE  60   6.352  -0.530 -11.986
  457   HG21  ILE  60          1HG2      ILE  60   5.424   2.229 -11.080
  458   HG22  ILE  60          2HG2      ILE  60   3.836   2.167 -11.845
  459   HG23  ILE  60          3HG2      ILE  60   5.246   1.535 -12.695
  460   HD11  ILE  60          3HD1      ILE  60   6.433  -0.121  -9.002
  461   HD12  ILE  60          1HD1      ILE  60   7.087   0.995 -10.201
  462   HD13  ILE  60          2HD1      ILE  60   7.760  -0.626 -10.048
  463    H    ASP  61           H        ASP  61   1.685  -0.827 -10.249
  464    HA   ASP  61           HA       ASP  61   0.104   1.390 -11.106
  465    HB2  ASP  61           2HB      ASP  61  -0.143  -0.989 -11.940
  466    HB3  ASP  61           3HB      ASP  61  -0.872  -1.412 -10.394
  467    H    THR  62           H        THR  62   0.373  -0.440  -8.115
  468    HA   THR  62           HA       THR  62  -1.850   0.684  -6.729
  469    HB   THR  62           HB       THR  62   0.650  -0.735  -5.711
  470    HG1  THR  62           HG1      THR  62  -1.082  -1.791  -7.113
  471   HG21  THR  62          3HG2      THR  62  -0.336   0.563  -3.856
  472   HG22  THR  62          1HG2      THR  62  -0.600  -1.167  -3.622
  473   HG23  THR  62          2HG2      THR  62  -1.917  -0.143  -4.198
  474    H    TYR  63           H        TYR  63   1.615   1.483  -6.841
  475    HA   TYR  63           HA       TYR  63   1.562   3.677  -5.044
  476    HB2  TYR  63           2HB      TYR  63   3.505   2.990  -7.280
  477    HB3  TYR  63           3HB      TYR  63   3.731   4.378  -6.217
  478    HD1  TYR  63           HD1      TYR  63   3.227   3.529  -3.559
  479    HD2  TYR  63           HD2      TYR  63   4.992   1.223  -6.696
  480    HE1  TYR  63           HE1      TYR  63   4.373   2.134  -1.910
  481    HE2  TYR  63           HE2      TYR  63   6.126  -0.173  -5.021
  482    HH   TYR  63           HH       TYR  63   6.511  -0.494  -2.849
  483    H    ALA  64           H        ALA  64   1.138   3.464  -8.566
  484    HA   ALA  64           HA       ALA  64   0.900   6.188  -9.181
  485    HB1  ALA  64           3HB      ALA  64   1.197   4.436 -10.889
  486    HB2  ALA  64           1HB      ALA  64  -0.212   5.430 -11.246
  487    HB3  ALA  64           2HB      ALA  64  -0.424   3.822 -10.550
  488    H    GLN  65           H        GLN  65  -1.594   3.815  -8.277
  489    HA   GLN  65           HA       GLN  65  -3.848   5.495  -8.269
  490    HB2  GLN  65           2HB      GLN  65  -3.163   2.972  -6.723
  491    HB3  GLN  65           3HB      GLN  65  -4.710   3.781  -6.494
  492    HG2  GLN  65           2HG      GLN  65  -3.821   2.966  -9.267
  493    HG3  GLN  65           3HG      GLN  65  -4.519   1.780  -8.168
  494   HE21  GLN  65          1HE2      GLN  65  -5.660   5.145  -8.223
  495   HE22  GLN  65          2HE2      GLN  65  -7.199   4.780  -8.894
  496    H    GLY  66           H        GLY  66  -1.543   4.675  -5.737
  497    HA2  GLY  66           2HA      GLY  66  -2.546   6.105  -3.579
  498    HA3  GLY  66           3HA      GLY  66  -0.860   5.681  -3.826
  499    H    ILE  67           H        ILE  67  -0.392   7.170  -6.177
  500    HA   ILE  67           HA       ILE  67   0.482   9.614  -5.188
  501    HB   ILE  67           HB       ILE  67   0.112   8.506  -7.982
  502   HG12  ILE  67          2HG1      ILE  67   2.614   9.310  -6.428
  503   HG13  ILE  67          3HG1      ILE  67   1.977   7.673  -6.545
  504   HG21  ILE  67          1HG2      ILE  67   1.299  10.446  -8.986
  505   HG22  ILE  67          2HG2      ILE  67   1.185  11.298  -7.446
  506   HG23  ILE  67          3HG2      ILE  67  -0.280  10.896  -8.340
  507   HD11  ILE  67          3HD1      ILE  67   3.870   8.046  -8.008
  508   HD12  ILE  67          1HD1      ILE  67   3.000   9.325  -8.848
  509   HD13  ILE  67          2HD1      ILE  67   2.421   7.656  -8.933
  510    H    GLU  68           H        GLU  68  -2.415   8.850  -7.057
  511    HA   GLU  68           HA       GLU  68  -3.322  11.460  -7.576
  512    HB2  GLU  68           2HB      GLU  68  -4.975   8.918  -7.313
  513    HB3  GLU  68           3HB      GLU  68  -5.457  10.389  -8.163
  514    HG2  GLU  68           2HG      GLU  68  -3.656  10.054  -9.804
  515    HG3  GLU  68           3HG      GLU  68  -3.100   8.628  -8.934
  516    H    VAL  69           H        VAL  69  -4.067   9.198  -4.989
  517    HA   VAL  69           HA       VAL  69  -5.849  11.062  -3.635
  518    HB   VAL  69           HB       VAL  69  -6.271   9.296  -2.014
  519   HG11  VAL  69          1HG1      VAL  69  -7.321   7.666  -3.540
  520   HG12  VAL  69          2HG1      VAL  69  -6.352   8.272  -4.881
  521   HG13  VAL  69          3HG1      VAL  69  -7.558   9.313  -4.114
  522   HG21  VAL  69          3HG2      VAL  69  -5.261   7.042  -2.229
  523   HG22  VAL  69          1HG2      VAL  69  -4.042   8.259  -1.849
  524   HG23  VAL  69          2HG2      VAL  69  -4.188   7.642  -3.498
  525    H    ALA  70           H        ALA  70  -2.482  10.381  -3.513
  526    HA   ALA  70           HA       ALA  70  -1.995  10.934  -0.734
  527    HB1  ALA  70           3HB      ALA  70  -0.434   9.582  -2.049
  528    HB2  ALA  70           1HB      ALA  70   0.382  10.981  -1.339
  529    HB3  ALA  70           2HB      ALA  70  -0.053  10.980  -3.052
  530    H    ARG  71           H        ARG  71  -1.662  12.781  -3.728
  531    HA   ARG  71           HA       ARG  71  -0.674  15.194  -2.613
  532    HB2  ARG  71           2HB      ARG  71  -1.259  16.191  -4.812
  533    HB3  ARG  71           3HB      ARG  71  -0.415  14.653  -4.981
  534    HG2  ARG  71           2HG      ARG  71  -2.639  13.543  -5.348
  535    HG3  ARG  71           3HG      ARG  71  -3.391  15.140  -5.333
  536    HD2  ARG  71           2HD      ARG  71  -2.052  15.802  -7.289
  537    HD3  ARG  71           3HD      ARG  71  -1.254  14.224  -7.283
  538    HE   ARG  71           HE       ARG  71  -4.183  14.399  -7.621
  539   HH11  ARG  71          1HH1      ARG  71  -1.066  13.418  -8.929
  540   HH12  ARG  71          2HH1      ARG  71  -1.757  12.628 -10.310
  541   HH21  ARG  71          1HH2      ARG  71  -5.074  13.342  -9.426
  542   HH22  ARG  71          2HH2      ARG  71  -4.033  12.580 -10.587
  543    H    GLU  72           H        GLU  72  -3.926  13.944  -2.961
  544    HA   GLU  72           HA       GLU  72  -5.204  16.501  -2.363
  545    HB2  GLU  72           2HB      GLU  72  -6.334  13.753  -3.000
  546    HB3  GLU  72           3HB      GLU  72  -7.322  15.183  -2.692
  547    HG2  GLU  72           2HG      GLU  72  -6.352  16.314  -4.646
  548    HG3  GLU  72           3HG      GLU  72  -5.270  14.949  -4.922
  549    H    GLU  73           H        GLU  73  -5.139  13.242  -0.883
  550    HA   GLU  73           HA       GLU  73  -6.599  14.132   1.448
  551    HB2  GLU  73           2HB      GLU  73  -5.414  11.418   0.769
  552    HB3  GLU  73           3HB      GLU  73  -6.408  11.744   2.191
  553    HG2  GLU  73           2HG      GLU  73  -7.288  12.040  -0.695
  554    HG3  GLU  73           3HG      GLU  73  -7.689  10.692   0.366
  555    H    GLY  74           H        GLY  74  -3.281  12.794   0.893
  556    HA2  GLY  74           2HA      GLY  74  -2.519  13.468   3.648
  557    HA3  GLY  74           3HA      GLY  74  -1.558  12.592   2.455
  558    H    THR  75           H        THR  75   0.165  14.084   3.155
  559    HA   THR  75           HA       THR  75   0.025  16.796   1.998
  560    HB   THR  75           HB       THR  75   2.157  17.203   3.192
  561    HG1  THR  75           HG1      THR  75   1.901  14.488   3.989
  562   HG21  THR  75          3HG2      THR  75   1.352  17.075   5.513
  563   HG22  THR  75          1HG2      THR  75   0.086  15.945   5.028
  564   HG23  THR  75          2HG2      THR  75   0.057  17.610   4.441
  565    H    GLN  76           H        GLN  76   2.379  17.410   1.048
  566    HA   GLN  76           HA       GLN  76   2.792  15.855  -1.305
  567    HB2  GLN  76           2HB      GLN  76   3.190  18.354  -1.079
  568    HB3  GLN  76           3HB      GLN  76   4.653  17.985  -0.176
  569    HG2  GLN  76           2HG      GLN  76   5.515  16.758  -2.186
  570    HG3  GLN  76           3HG      GLN  76   4.079  17.269  -3.073
  571   HE21  GLN  76          1HE2      GLN  76   5.289  18.398  -4.608
  572   HE22  GLN  76          2HE2      GLN  76   6.086  19.887  -4.253
  573    H    LYS  77           H        LYS  77   4.077  15.654   1.899
  574    HA   LYS  77           HA       LYS  77   6.473  14.214   1.462
  575    HB2  LYS  77           2HB      LYS  77   5.905  15.179   3.647
  576    HB3  LYS  77           3HB      LYS  77   4.510  14.115   3.791
  577    HG2  LYS  77           2HG      LYS  77   6.023  12.147   3.889
  578    HG3  LYS  77           3HG      LYS  77   7.420  13.222   3.752
  579    HD2  LYS  77           2HD      LYS  77   6.795  14.306   5.881
  580    HD3  LYS  77           3HD      LYS  77   5.381  13.256   6.012
  581    HE2  LYS  77           2HE      LYS  77   6.861  11.286   6.159
  582    HE3  LYS  77           3HE      LYS  77   8.275  12.328   6.015
  583    HZ1  LYS  77           3HZ      LYS  77   6.284  12.444   8.203
  584    HZ2  LYS  77           1HZ      LYS  77   7.680  13.381   8.074
  585    HZ3  LYS  77           2HZ      LYS  77   7.801  11.710   8.312
  586    H    ASP  78           H        ASP  78   3.144  13.089   2.114
  587    HA   ASP  78           HA       ASP  78   3.440  10.320   1.867
  588    HB2  ASP  78           2HB      ASP  78   1.079  12.100   1.088
  589    HB3  ASP  78           3HB      ASP  78   0.988  10.353   1.239
  590    H    LEU  79           H        LEU  79   2.596  12.740  -0.551
  591    HA   LEU  79           HA       LEU  79   2.383  11.179  -2.841
  592    HB2  LEU  79           2HB      LEU  79   1.663  13.538  -2.645
  593    HB3  LEU  79           3HB      LEU  79   3.340  14.049  -2.526
  594    HG   LEU  79           HG       LEU  79   3.726  13.218  -4.867
  595   HD11  LEU  79          1HD1      LEU  79   0.728  12.774  -4.898
  596   HD12  LEU  79          2HD1      LEU  79   1.969  11.520  -4.967
  597   HD13  LEU  79          3HD1      LEU  79   1.811  12.671  -6.287
  598   HD21  LEU  79          3HD2      LEU  79   3.241  15.590  -4.476
  599   HD22  LEU  79          1HD2      LEU  79   1.509  15.272  -4.589
  600   HD23  LEU  79          2HD2      LEU  79   2.543  15.049  -6.001
  601    H    SER  80           H        SER  80   5.193  12.783  -1.412
  602    HA   SER  80           HA       SER  80   7.062  12.385  -3.451
  603    HB2  SER  80           2HB      SER  80   7.356  14.030  -1.622
  604    HB3  SER  80           3HB      SER  80   7.522  12.718  -0.461
  605    HG   SER  80           HG       SER  80   9.289  12.445  -2.516
  606    H    GLU  81           H        GLU  81   6.199  10.390  -0.645
  607    HA   GLU  81           HA       GLU  81   8.383   8.559  -0.915
  608    HB2  GLU  81           2HB      GLU  81   5.819   8.392   0.709
  609    HB3  GLU  81           3HB      GLU  81   7.160   7.254   0.849
  610    HG2  GLU  81           2HG      GLU  81   7.261  10.227   1.475
  611    HG3  GLU  81           3HG      GLU  81   7.179   8.918   2.651
  612    H    LEU  82           H        LEU  82   5.050   8.599  -2.067
  613    HA   LEU  82           HA       LEU  82   5.027   5.864  -2.993
  614    HB2  LEU  82           2HB      LEU  82   3.258   8.231  -3.671
  615    HB3  LEU  82           3HB      LEU  82   2.952   6.586  -4.216
  616    HG   LEU  82           HG       LEU  82   3.057   7.435  -1.286
  617   HD11  LEU  82          1HD1      LEU  82   0.650   6.850  -3.010
  618   HD12  LEU  82          2HD1      LEU  82   1.126   8.426  -2.380
  619   HD13  LEU  82          3HD1      LEU  82   0.631   7.151  -1.272
  620   HD21  LEU  82          3HD2      LEU  82   2.203   4.798  -2.530
  621   HD22  LEU  82          1HD2      LEU  82   2.111   5.216  -0.813
  622   HD23  LEU  82          2HD2      LEU  82   3.679   5.079  -1.603
  623    H    GLN  83           H        GLN  83   5.690   8.994  -4.501
  624    HA   GLN  83           HA       GLN  83   6.147   8.102  -7.169
  625    HB2  GLN  83           2HB      GLN  83   7.146  10.549  -5.646
  626    HB3  GLN  83           3HB      GLN  83   7.399  10.303  -7.370
  627    HG2  GLN  83           2HG      GLN  83   5.017  10.421  -7.799
  628    HG3  GLN  83           3HG      GLN  83   4.667  10.465  -6.074
  629   HE21  GLN  83          1HE2      GLN  83   6.744  12.345  -5.384
  630   HE22  GLN  83          2HE2      GLN  83   6.257  13.882  -5.984
  631    H    ASP  84           H        ASP  84   8.160   8.556  -4.341
  632    HA   ASP  84           HA       ASP  84  10.718   7.944  -5.345
  633    HB2  ASP  84           2HB      ASP  84  10.348   9.059  -3.184
  634    HB3  ASP  84           3HB      ASP  84   9.499   7.657  -2.563
  635    H    ALA  85           H        ALA  85   8.175   5.966  -3.888
  636    HA   ALA  85           HA       ALA  85   9.661   3.568  -3.680
  637    HB1  ALA  85           3HB      ALA  85   7.512   2.556  -3.079
  638    HB2  ALA  85           1HB      ALA  85   6.659   3.995  -3.648
  639    HB3  ALA  85           2HB      ALA  85   7.735   4.100  -2.255
  640    H    LYS  86           H        LYS  86   7.232   4.688  -6.074
  641    HA   LYS  86           HA       LYS  86   7.256   2.281  -7.569
  642    HB2  LYS  86           2HB      LYS  86   6.047   3.450  -9.316
  643    HB3  LYS  86           3HB      LYS  86   5.400   3.885  -7.742
  644    HG2  LYS  86           2HG      LYS  86   6.531   6.038  -7.812
  645    HG3  LYS  86           3HG      LYS  86   7.306   5.614  -9.340
  646    HD2  LYS  86           2HD      LYS  86   4.314   5.931  -8.897
  647    HD3  LYS  86           3HD      LYS  86   5.371   7.115  -9.665
  648    HE2  LYS  86           2HE      LYS  86   5.872   5.439 -11.458
  649    HE3  LYS  86           3HE      LYS  86   4.710   4.339 -10.709
  650    HZ1  LYS  86           3HZ      LYS  86   3.770   5.591 -12.559
  651    HZ2  LYS  86           1HZ      LYS  86   4.073   7.047 -11.745
  652    HZ3  LYS  86           2HZ      LYS  86   2.968   5.937 -11.115
  653    H    LEU  87           H        LEU  87   9.275   5.239  -7.820
  654    HA   LEU  87           HA       LEU  87  10.367   4.540 -10.364
  655    HB2  LEU  87           2HB      LEU  87  11.917   6.340 -10.157
  656    HB3  LEU  87           3HB      LEU  87  10.395   6.863  -9.479
  657    HG   LEU  87           HG       LEU  87  11.557   6.284  -7.158
  658   HD11  LEU  87          1HD1      LEU  87  13.974   6.740  -7.119
  659   HD12  LEU  87          2HD1      LEU  87  14.007   6.760  -8.886
  660   HD13  LEU  87          3HD1      LEU  87  13.610   5.272  -8.022
  661   HD21  LEU  87          3HD2      LEU  87  12.367   8.588  -6.978
  662   HD22  LEU  87          1HD2      LEU  87  10.814   8.520  -7.809
  663   HD23  LEU  87          2HD2      LEU  87  12.298   8.762  -8.734
  664    H    LYS  88           H        LYS  88  11.426   3.839  -7.023
  665    HA   LYS  88           HA       LYS  88  13.803   2.470  -7.911
  666    HB2  LYS  88           2HB      LYS  88  14.133   1.783  -5.582
  667    HB3  LYS  88           3HB      LYS  88  13.868   3.503  -5.753
  668    HG2  LYS  88           2HG      LYS  88  12.772   2.901  -3.772
  669    HG3  LYS  88           3HG      LYS  88  11.483   3.112  -4.955
  670    HD2  LYS  88           2HD      LYS  88  11.130   0.750  -5.134
  671    HD3  LYS  88           3HD      LYS  88  12.645   0.384  -4.307
  672    HE2  LYS  88           2HE      LYS  88  10.316   1.786  -2.965
  673    HE3  LYS  88           3HE      LYS  88  10.555   0.039  -2.938
  674    HZ1  LYS  88           3HZ      LYS  88  11.421   1.263  -0.988
  675    HZ2  LYS  88           1HZ      LYS  88  12.588   1.960  -1.989
  676    HZ3  LYS  88           2HZ      LYS  88  12.558   0.283  -1.762
  677    H    ALA  89           H        ALA  89  10.493   1.413  -7.080
  678    HA   ALA  89           HA       ALA  89  10.948  -1.341  -7.321
  679    HB1  ALA  89           3HB      ALA  89   8.382   0.221  -7.728
  680    HB2  ALA  89           1HB      ALA  89   8.984  -0.409  -6.193
  681    HB3  ALA  89           2HB      ALA  89   8.501  -1.523  -7.474
  682    H    GLU  90           H        GLU  90  10.170   1.117  -9.768
  683    HA   GLU  90           HA       GLU  90  10.065  -0.654 -12.001
  684    HB2  GLU  90           2HB      GLU  90  10.791   2.303 -11.826
  685    HB3  GLU  90           3HB      GLU  90  10.688   1.421 -13.350
  686    HG2  GLU  90           2HG      GLU  90   8.314   0.947 -12.944
  687    HG3  GLU  90           3HG      GLU  90   8.405   1.761 -11.388
  688    H    GLY  91           H        GLY  91  12.655   1.096 -10.326
  689    HA2  GLY  91           2HA      GLY  91  14.821   0.259 -11.943
  690    HA3  GLY  91           3HA      GLY  91  14.917   0.929 -10.322
  691    H    LEU  92           H        LEU  92  12.945  -1.576  -9.717
  692    HA   LEU  92           HA       LEU  92  14.816  -3.477  -8.818
  693    HB2  LEU  92           2HB      LEU  92  11.902  -3.790  -9.598
  694    HB3  LEU  92           3HB      LEU  92  12.845  -5.137  -8.981
  695    HG   LEU  92           HG       LEU  92  12.288  -2.567  -7.433
  696   HD11  LEU  92          1HD1      LEU  92  10.237  -3.885  -7.761
  697   HD12  LEU  92          2HD1      LEU  92  10.747  -3.916  -6.073
  698   HD13  LEU  92          3HD1      LEU  92  11.038  -5.317  -7.110
  699   HD21  LEU  92          3HD2      LEU  92  13.567  -5.166  -6.510
  700   HD22  LEU  92          1HD2      LEU  92  13.188  -3.772  -5.490
  701   HD23  LEU  92          2HD2      LEU  92  14.404  -3.634  -6.756
  702    H    GLU  93           H        GLU  93  13.262  -3.043 -11.940
  703    HA   GLU  93           HA       GLU  93  14.528  -5.258 -13.275
  704    HB2  GLU  93           2HB      GLU  93  13.370  -2.670 -14.425
  705    HB3  GLU  93           3HB      GLU  93  13.795  -4.107 -15.353
  706    HG2  GLU  93           2HG      GLU  93  11.593  -3.890 -13.272
  707    HG3  GLU  93           3HG      GLU  93  11.367  -3.951 -15.019
  708    H    HIS  94           H        HIS  94  16.609  -4.834 -12.212
  709    HA   HIS  94           HA       HIS  94  18.326  -2.843 -13.588
  710    HB2  HIS  94           2HB      HIS  94  19.710  -2.834 -11.458
  711    HB3  HIS  94           3HB      HIS  94  18.119  -2.112 -11.298
  712    HD1  HIS  94           HD1      HIS  94  17.100  -2.677  -9.113
  713    HD2  HIS  94           HD2      HIS  94  19.538  -5.763 -10.456
  714    HE1  HIS  94           HE1      HIS  94  17.027  -4.424  -7.322
  715    HE2  HIS  94           HE2      HIS  94  18.687  -6.165  -8.061
  716    H    HIS  95           H        HIS  95  17.778  -5.307 -14.644
  717    HA   HIS  95           HA       HIS  95  19.564  -7.409 -13.886
  718    HB2  HIS  95           2HB      HIS  95  17.389  -7.877 -14.923
  719    HB3  HIS  95           3HB      HIS  95  17.837  -6.971 -16.361
  720    HD1  HIS  95           HD1      HIS  95  18.834  -8.308 -18.222
  721    HD2  HIS  95           HD2      HIS  95  18.979 -10.329 -14.595
  722    HE1  HIS  95           HE1      HIS  95  19.634 -10.625 -18.768
  723    HE2  HIS  95           HE2      HIS  95  19.766 -11.810 -16.555
  724    H    HIS  96           H        HIS  96  19.473  -5.098 -16.618
  725    HA   HIS  96           HA       HIS  96  22.356  -5.011 -16.800
  726    HB2  HIS  96           2HB      HIS  96  21.808  -7.018 -18.210
  727    HB3  HIS  96           3HB      HIS  96  20.767  -6.017 -19.215
  728    HD1  HIS  96           HD1      HIS  96  21.875  -4.916 -21.175
  729    HD2  HIS  96           HD2      HIS  96  24.639  -6.194 -18.354
  730    HE1  HIS  96           HE1      HIS  96  24.121  -4.530 -22.208
  731    HE2  HIS  96           HE2      HIS  96  25.766  -5.449 -20.548
  732    H    HIS  97           H        HIS  97  22.754  -2.888 -17.027
  733    HA   HIS  97           HA       HIS  97  20.536  -1.064 -17.523
  734    HB2  HIS  97           2HB      HIS  97  23.345  -0.614 -16.434
  735    HB3  HIS  97           3HB      HIS  97  22.118   0.641 -16.561
  736    HD1  HIS  97           HD1      HIS  97  23.348  -1.970 -14.333
  737    HD2  HIS  97           HD2      HIS  97  19.813   0.154 -14.826
  738    HE1  HIS  97           HE1      HIS  97  22.085  -2.262 -12.199
  739    HE2  HIS  97           HE2      HIS  97  20.076  -0.779 -12.436
  740    H    HIS  98           H        HIS  98  21.596  -2.316 -19.915
  741    HA   HIS  98           HA       HIS  98  22.186   0.039 -21.500
  742    HB2  HIS  98           2HB      HIS  98  24.453  -0.766 -20.633
  743    HB3  HIS  98           3HB      HIS  98  24.204  -2.263 -21.517
  744    HD1  HIS  98           HD1      HIS  98  25.552   1.092 -21.864
  745    HD2  HIS  98           HD2      HIS  98  24.090  -1.811 -24.445
  746    HE1  HIS  98           HE1      HIS  98  26.396   1.726 -24.135
  747    HE2  HIS  98           HE2      HIS  98  25.349   0.057 -25.697
  748    H    HIS  99           H        HIS  99  21.430  -0.204 -23.574
  749    HA   HIS  99           HA       HIS  99  20.390  -2.860 -24.406
  750    HB2  HIS  99           2HB      HIS  99  18.666  -1.040 -24.105
  751    HB3  HIS  99           3HB      HIS  99  19.474  -0.094 -25.346
  752    HD1  HIS  99           HD1      HIS  99  17.173  -2.970 -24.865
  753    HD2  HIS  99           HD2      HIS  99  19.101  -1.066 -28.013
  754    HE1  HIS  99           HE1      HIS  99  16.063  -3.823 -26.947
  755    HE2  HIS  99           HE2      HIS  99  17.184  -2.593 -28.835
  Start of MODEL   18
    1    H1   GLU   1           1H       GLU   1 -12.187  -0.407  19.916
    2    H2   GLU   1           2H       GLU   1 -13.278  -1.697  19.956
    3    H3   GLU   1           3H       GLU   1 -13.331  -0.591  18.681
    4    HA   GLU   1           HA       GLU   1 -11.194  -1.283  17.900
    5    HB2  GLU   1           2HB      GLU   1 -10.368  -1.865  20.234
    6    HB3  GLU   1           3HB      GLU   1 -11.275  -3.365  20.151
    7    HG2  GLU   1           2HG      GLU   1  -9.054  -2.631  18.209
    8    HG3  GLU   1           3HG      GLU   1  -8.773  -3.508  19.708
    9    H    ASP   2           H        ASP   2 -11.782  -2.240  16.037
   10    HA   ASP   2           HA       ASP   2 -13.032  -4.841  15.960
   11    HB2  ASP   2           2HB      ASP   2 -14.940  -4.207  14.525
   12    HB3  ASP   2           3HB      ASP   2 -15.057  -3.412  16.084
   13    HA   PRO   3           HA       PRO   3 -10.212  -4.931  12.518
   14    HB2  PRO   3           2HB      PRO   3 -10.815  -7.303  11.384
   15    HB3  PRO   3           3HB      PRO   3 -10.222  -7.226  13.048
   16    HG2  PRO   3           2HG      PRO   3 -13.066  -7.458  12.066
   17    HG3  PRO   3           3HG      PRO   3 -12.240  -8.418  13.315
   18    HD2  PRO   3           2HD      PRO   3 -13.859  -6.279  13.897
   19    HD3  PRO   3           3HD      PRO   3 -12.497  -6.761  14.931
   20    H    GLU   4           H        GLU   4 -13.347  -4.088  12.068
   21    HA   GLU   4           HA       GLU   4 -13.446  -4.156   9.143
   22    HB2  GLU   4           2HB      GLU   4 -15.419  -3.023  11.176
   23    HB3  GLU   4           3HB      GLU   4 -15.721  -3.214   9.449
   24    HG2  GLU   4           2HG      GLU   4 -15.493  -5.691   9.723
   25    HG3  GLU   4           3HG      GLU   4 -15.259  -5.449  11.455
   26    H    ASP   5           H        ASP   5 -12.804  -1.995  11.793
   27    HA   ASP   5           HA       ASP   5 -12.976   0.514  10.535
   28    HB2  ASP   5           2HB      ASP   5 -12.809   0.300  12.983
   29    HB3  ASP   5           3HB      ASP   5 -11.207  -0.410  12.847
   30    HA   PRO   6           HA       PRO   6  -9.791   0.239   7.428
   31    HB2  PRO   6           2HB      PRO   6  -9.444   3.193   7.951
   32    HB3  PRO   6           3HB      PRO   6  -9.663   2.342   6.413
   33    HG2  PRO   6           2HG      PRO   6 -11.709   3.649   7.513
   34    HG3  PRO   6           3HG      PRO   6 -11.970   2.060   6.756
   35    HD2  PRO   6           2HD      PRO   6 -11.771   2.756   9.685
   36    HD3  PRO   6           3HD      PRO   6 -12.848   1.603   8.870
   37    H    PHE   7           H        PHE   7  -8.794   2.503  10.048
   38    HA   PHE   7           HA       PHE   7  -6.034   2.024   9.768
   39    HB2  PHE   7           2HB      PHE   7  -6.944   4.045  10.875
   40    HB3  PHE   7           3HB      PHE   7  -7.490   3.065  12.234
   41    HD1  PHE   7           HD2      PHE   7  -4.396   4.059  10.353
   42    HD2  PHE   7           HD1      PHE   7  -5.996   2.658  14.068
   43    HE1  PHE   7           HE2      PHE   7  -2.191   4.320  11.406
   44    HE2  PHE   7           HE1      PHE   7  -3.781   2.917  15.109
   45    HZ   PHE   7           HZ       PHE   7  -1.883   3.751  13.786
   46    H    THR   8           H        THR   8  -8.450   0.369  11.784
   47    HA   THR   8           HA       THR   8  -6.596  -0.875  13.549
   48    HB   THR   8           HB       THR   8  -9.431  -1.765  12.863
   49    HG1  THR   8           HG1      THR   8  -9.256   0.390  13.675
   50   HG21  THR   8          3HG2      THR   8  -9.410  -2.859  15.083
   51   HG22  THR   8          1HG2      THR   8  -7.725  -2.385  15.312
   52   HG23  THR   8          2HG2      THR   8  -8.156  -3.537  14.050
   53    H    ARG   9           H        ARG   9  -8.225  -2.020  10.573
   54    HA   ARG   9           HA       ARG   9  -6.995  -4.637  10.570
   55    HB2  ARG   9           2HB      ARG   9  -8.097  -4.922   8.390
   56    HB3  ARG   9           3HB      ARG   9  -9.216  -4.262   9.575
   57    HG2  ARG   9           2HG      ARG   9  -8.494  -1.946   8.537
   58    HG3  ARG   9           3HG      ARG   9  -8.004  -2.935   7.164
   59    HD2  ARG   9           2HD      ARG   9 -10.782  -2.850   8.381
   60    HD3  ARG   9           3HD      ARG   9 -10.286  -2.011   6.912
   61    HE   ARG   9           HE       ARG   9  -9.756  -4.744   6.591
   62   HH11  ARG   9          1HH1      ARG   9 -12.564  -2.621   6.927
   63   HH12  ARG   9          2HH1      ARG   9 -13.588  -3.663   5.991
   64   HH21  ARG   9          1HH2      ARG   9 -11.131  -6.040   5.331
   65   HH22  ARG   9          2HH2      ARG   9 -12.773  -5.557   5.081
   66    H    TYR  10           H        TYR  10  -6.247  -1.498   9.223
   67    HA   TYR  10           HA       TYR  10  -4.176  -2.135   7.402
   68    HB2  TYR  10           2HB      TYR  10  -5.115   0.068   7.354
   69    HB3  TYR  10           3HB      TYR  10  -4.830   0.321   9.066
   70    HD1  TYR  10           HD2      TYR  10  -2.916  -0.250   5.869
   71    HD2  TYR  10           HD1      TYR  10  -2.995   1.668   9.692
   72    HE1  TYR  10           HE2      TYR  10  -0.836   0.937   5.324
   73    HE2  TYR  10           HE1      TYR  10  -0.918   2.849   9.138
   74    HH   TYR  10           HH       TYR  10   0.998   2.595   7.644
   75    H    ALA  11           H        ALA  11  -4.056  -1.156  10.804
   76    HA   ALA  11           HA       ALA  11  -1.291  -1.473  11.262
   77    HB1  ALA  11           3HB      ALA  11  -2.746  -0.091  12.696
   78    HB2  ALA  11           1HB      ALA  11  -1.895  -1.308  13.652
   79    HB3  ALA  11           2HB      ALA  11  -3.596  -1.535  13.243
   80    H    LEU  12           H        LEU  12  -4.057  -3.631  11.570
   81    HA   LEU  12           HA       LEU  12  -2.779  -5.797  12.893
   82    HB2  LEU  12           2HB      LEU  12  -5.236  -5.473  12.868
   83    HB3  LEU  12           3HB      LEU  12  -5.264  -5.759  11.136
   84    HG   LEU  12           HG       LEU  12  -4.515  -8.110  11.525
   85   HD11  LEU  12          1HD1      LEU  12  -3.278  -7.852  13.606
   86   HD12  LEU  12          2HD1      LEU  12  -4.532  -9.075  13.789
   87   HD13  LEU  12          3HD1      LEU  12  -4.766  -7.468  14.475
   88   HD21  LEU  12          3HD2      LEU  12  -6.911  -7.618  11.309
   89   HD22  LEU  12          1HD2      LEU  12  -7.031  -7.364  13.054
   90   HD23  LEU  12          2HD2      LEU  12  -6.633  -8.960  12.414
   91    H    ALA  13           H        ALA  13  -3.224  -4.900   9.509
   92    HA   ALA  13           HA       ALA  13  -2.325  -7.309   8.302
   93    HB1  ALA  13           3HB      ALA  13  -2.380  -4.490   7.184
   94    HB2  ALA  13           1HB      ALA  13  -3.685  -5.672   7.086
   95    HB3  ALA  13           2HB      ALA  13  -2.165  -5.967   6.241
   96    H    GLN  14           H        GLN  14  -0.692  -4.247   9.158
   97    HA   GLN  14           HA       GLN  14   1.911  -4.834   8.341
   98    HB2  GLN  14           2HB      GLN  14   0.935  -3.186  10.705
   99    HB3  GLN  14           3HB      GLN  14   2.610  -3.202  10.153
  100    HG2  GLN  14           2HG      GLN  14   1.943  -2.266   7.989
  101    HG3  GLN  14           3HG      GLN  14   0.245  -2.324   8.464
  102   HE21  GLN  14          1HE2      GLN  14   3.340  -0.777   9.100
  103   HE22  GLN  14          2HE2      GLN  14   2.690   0.637   9.855
  104    H    GLU  15           H        GLU  15   0.202  -5.810  11.284
  105    HA   GLU  15           HA       GLU  15   2.461  -7.088  12.537
  106    HB2  GLU  15           2HB      GLU  15  -0.525  -7.458  13.017
  107    HB3  GLU  15           3HB      GLU  15   0.761  -8.044  14.080
  108    HG2  GLU  15           2HG      GLU  15   1.477  -5.722  14.496
  109    HG3  GLU  15           3HG      GLU  15   0.220  -5.126  13.419
  110    H    HIS  16           H        HIS  16  -0.174  -8.175  10.406
  111    HA   HIS  16           HA       HIS  16   0.307 -10.948  10.470
  112    HB2  HIS  16           2HB      HIS  16  -0.945  -9.184   8.335
  113    HB3  HIS  16           3HB      HIS  16  -0.767 -10.919   8.093
  114    HD1  HIS  16           HD1      HIS  16  -1.753 -12.211  10.531
  115    HD2  HIS  16           HD2      HIS  16  -3.519  -8.740   9.091
  116    HE1  HIS  16           HE1      HIS  16  -4.051 -12.173  11.512
  117    HE2  HIS  16           HE2      HIS  16  -5.163 -10.188  10.451
  118    H    LEU  17           H        LEU  17   1.786  -8.383   8.525
  119    HA   LEU  17           HA       LEU  17   3.378  -9.823   6.761
  120    HB2  LEU  17           2HB      LEU  17   3.936  -7.214   8.223
  121    HB3  LEU  17           3HB      LEU  17   4.966  -7.817   6.933
  122    HG   LEU  17           HG       LEU  17   2.023  -7.099   6.593
  123   HD11  LEU  17          1HD1      LEU  17   2.791  -5.118   5.357
  124   HD12  LEU  17          2HD1      LEU  17   4.469  -5.515   5.738
  125   HD13  LEU  17          3HD1      LEU  17   3.351  -5.075   7.030
  126   HD21  LEU  17          3HD2      LEU  17   4.133  -7.855   4.552
  127   HD22  LEU  17          1HD2      LEU  17   2.489  -7.325   4.191
  128   HD23  LEU  17          2HD2      LEU  17   2.753  -8.840   5.048
  129    H    LYS  18           H        LYS  18   4.034  -8.890  10.108
  130    HA   LYS  18           HA       LYS  18   6.740  -9.827  10.166
  131    HB2  LYS  18           2HB      LYS  18   4.914  -9.101  12.494
  132    HB3  LYS  18           3HB      LYS  18   6.675  -9.217  12.551
  133    HG2  LYS  18           2HG      LYS  18   6.798  -7.330  10.901
  134    HG3  LYS  18           3HG      LYS  18   5.041  -7.192  10.979
  135    HD2  LYS  18           2HD      LYS  18   6.003  -5.495  12.418
  136    HD3  LYS  18           3HD      LYS  18   5.230  -6.710  13.440
  137    HE2  LYS  18           2HE      LYS  18   7.432  -7.729  13.897
  138    HE3  LYS  18           3HE      LYS  18   8.206  -6.538  12.850
  139    HZ1  LYS  18           3HZ      LYS  18   6.748  -5.967  15.369
  140    HZ2  LYS  18           1HZ      LYS  18   7.435  -4.800  14.358
  141    HZ3  LYS  18           2HZ      LYS  18   8.422  -5.924  15.147
  142    H    HIS  19           H        HIS  19   3.632 -11.211  10.934
  143    HA   HIS  19           HA       HIS  19   4.796 -13.620  12.186
  144    HB2  HIS  19           2HB      HIS  19   1.931 -12.632  11.909
  145    HB3  HIS  19           3HB      HIS  19   2.337 -14.218  12.563
  146    HD1  HIS  19           HD1      HIS  19   2.825 -14.324  15.005
  147    HD2  HIS  19           HD2      HIS  19   3.090 -10.445  13.543
  148    HE1  HIS  19           HE1      HIS  19   3.112 -12.860  17.021
  149    HE2  HIS  19           HE2      HIS  19   3.183 -10.512  16.113
  150    H    ASP  20           H        ASP  20   4.641 -12.755   9.152
  151    HA   ASP  20           HA       ASP  20   4.897 -13.827   7.204
  152    HB2  ASP  20           2HB      ASP  20   6.161 -15.520   8.528
  153    HB3  ASP  20           3HB      ASP  20   4.675 -16.415   8.803
  154    H    ASN  21           H        ASN  21   2.062 -13.629   8.725
  155    HA   ASN  21           HA       ASN  21   0.357 -15.064   6.844
  156    HB2  ASN  21           2HB      ASN  21  -0.215 -13.056   9.075
  157    HB3  ASN  21           3HB      ASN  21  -1.482 -13.686   8.032
  158   HD21  ASN  21          1HD2      ASN  21  -0.638 -16.393   7.877
  159   HD22  ASN  21          2HD2      ASN  21  -0.868 -17.089   9.436
  160    H    ALA  22           H        ALA  22   2.012 -13.724   5.269
  161    HA   ALA  22           HA       ALA  22   1.522 -10.980   4.791
  162    HB1  ALA  22           3HB      ALA  22   2.862 -13.028   2.993
  163    HB2  ALA  22           1HB      ALA  22   3.664 -12.068   4.238
  164    HB3  ALA  22           2HB      ALA  22   2.963 -11.274   2.828
  165    H    SER  23           H        SER  23   0.178 -13.955   3.384
  166    HA   SER  23           HA       SER  23  -1.360 -12.850   1.327
  167    HB2  SER  23           2HB      SER  23  -2.052 -15.267   3.046
  168    HB3  SER  23           3HB      SER  23  -2.720 -14.897   1.455
  169    HG   SER  23           HG       SER  23  -0.638 -15.139   0.592
  170    H    ARG  24           H        ARG  24  -2.211 -13.280   4.803
  171    HA   ARG  24           HA       ARG  24  -4.813 -12.154   4.643
  172    HB2  ARG  24           2HB      ARG  24  -2.877 -12.800   6.875
  173    HB3  ARG  24           3HB      ARG  24  -4.234 -11.748   7.249
  174    HG2  ARG  24           2HG      ARG  24  -4.475 -14.553   6.109
  175    HG3  ARG  24           3HG      ARG  24  -4.706 -14.107   7.805
  176    HD2  ARG  24           2HD      ARG  24  -6.541 -12.584   7.126
  177    HD3  ARG  24           3HD      ARG  24  -6.355 -13.112   5.454
  178    HE   ARG  24           HE       ARG  24  -6.836 -15.294   7.250
  179   HH11  ARG  24          1HH1      ARG  24  -8.453 -12.739   5.435
  180   HH12  ARG  24          2HH1      ARG  24  -9.994 -13.534   5.462
  181   HH21  ARG  24          1HH2      ARG  24  -8.899 -16.291   7.315
  182   HH22  ARG  24          2HH2      ARG  24 -10.245 -15.530   6.524
  183    H    ALA  25           H        ALA  25  -1.617 -10.789   5.244
  184    HA   ALA  25           HA       ALA  25  -2.394  -8.140   5.931
  185    HB1  ALA  25           3HB      ALA  25   0.184  -9.152   4.676
  186    HB2  ALA  25           1HB      ALA  25  -0.152  -9.056   6.407
  187    HB3  ALA  25           2HB      ALA  25  -0.042  -7.579   5.451
  188    H    LEU  26           H        LEU  26  -1.609  -9.779   2.927
  189    HA   LEU  26           HA       LEU  26  -1.496  -7.567   1.167
  190    HB2  LEU  26           2HB      LEU  26  -0.567  -9.903   0.732
  191    HB3  LEU  26           3HB      LEU  26  -2.211 -10.448   0.468
  192    HG   LEU  26           HG       LEU  26  -2.362  -8.809  -1.467
  193   HD11  LEU  26          1HD1      LEU  26  -0.305  -7.897  -2.408
  194   HD12  LEU  26          2HD1      LEU  26   0.625  -8.519  -1.049
  195   HD13  LEU  26          3HD1      LEU  26  -0.586  -7.262  -0.792
  196   HD21  LEU  26          3HD2      LEU  26  -1.942 -11.200  -1.868
  197   HD22  LEU  26          1HD2      LEU  26  -0.204 -10.946  -1.676
  198   HD23  LEU  26          2HD2      LEU  26  -1.065 -10.211  -3.032
  199    H    ALA  27           H        ALA  27  -3.972  -9.970   1.892
  200    HA   ALA  27           HA       ALA  27  -6.084  -9.095   0.323
  201    HB1  ALA  27           3HB      ALA  27  -7.524 -10.384   1.844
  202    HB2  ALA  27           1HB      ALA  27  -6.220 -10.454   3.034
  203    HB3  ALA  27           2HB      ALA  27  -6.040 -11.266   1.475
  204    H    LEU  28           H        LEU  28  -5.335  -8.211   3.722
  205    HA   LEU  28           HA       LEU  28  -7.569  -6.546   4.170
  206    HB2  LEU  28           2HB      LEU  28  -4.851  -6.672   5.510
  207    HB3  LEU  28           3HB      LEU  28  -6.052  -5.492   6.014
  208    HG   LEU  28           HG       LEU  28  -6.398  -8.521   6.132
  209   HD11  LEU  28          1HD1      LEU  28  -6.006  -6.510   8.372
  210   HD12  LEU  28          2HD1      LEU  28  -4.825  -7.702   7.827
  211   HD13  LEU  28          3HD1      LEU  28  -6.327  -8.235   8.578
  212   HD21  LEU  28          3HD2      LEU  28  -8.506  -8.049   7.325
  213   HD22  LEU  28          1HD2      LEU  28  -8.549  -7.419   5.681
  214   HD23  LEU  28          2HD2      LEU  28  -8.296  -6.322   7.041
  215    H    PHE  29           H        PHE  29  -4.342  -5.780   2.918
  216    HA   PHE  29           HA       PHE  29  -4.746  -2.962   2.746
  217    HB2  PHE  29           2HB      PHE  29  -2.750  -4.782   1.354
  218    HB3  PHE  29           3HB      PHE  29  -2.746  -3.036   1.187
  219    HD1  PHE  29           HD2      PHE  29  -3.225  -2.196   4.049
  220    HD2  PHE  29           HD1      PHE  29  -0.672  -5.213   2.404
  221    HE1  PHE  29           HE2      PHE  29  -1.712  -1.992   5.980
  222    HE2  PHE  29           HE1      PHE  29   0.832  -4.994   4.337
  223    HZ   PHE  29           HZ       PHE  29   0.314  -3.387   6.129
  224    H    GLU  30           H        GLU  30  -5.025  -5.595   0.321
  225    HA   GLU  30           HA       GLU  30  -5.765  -4.061  -1.906
  226    HB2  GLU  30           2HB      GLU  30  -6.461  -6.942  -1.202
  227    HB3  GLU  30           3HB      GLU  30  -6.781  -6.220  -2.777
  228    HG2  GLU  30           2HG      GLU  30  -4.385  -5.861  -3.135
  229    HG3  GLU  30           3HG      GLU  30  -4.030  -6.499  -1.534
  230    H    GLU  31           H        GLU  31  -7.691  -5.357   0.743
  231    HA   GLU  31           HA       GLU  31 -10.278  -4.690  -0.178
  232    HB2  GLU  31           2HB      GLU  31  -9.080  -5.131   2.585
  233    HB3  GLU  31           3HB      GLU  31 -10.769  -4.682   2.391
  234    HG2  GLU  31           2HG      GLU  31 -11.240  -6.720   1.175
  235    HG3  GLU  31           3HG      GLU  31  -9.534  -7.124   1.084
  236    H    LEU  32           H        LEU  32  -8.029  -2.995   2.008
  237    HA   LEU  32           HA       LEU  32  -9.519  -0.711   2.505
  238    HB2  LEU  32           2HB      LEU  32  -6.536  -1.178   2.451
  239    HB3  LEU  32           3HB      LEU  32  -7.219   0.358   2.960
  240    HG   LEU  32           HG       LEU  32  -7.859  -2.295   4.300
  241   HD11  LEU  32          1HD1      LEU  32  -5.889  -0.176   5.211
  242   HD12  LEU  32          2HD1      LEU  32  -5.484  -1.787   4.619
  243   HD13  LEU  32          3HD1      LEU  32  -6.375  -1.606   6.126
  244   HD21  LEU  32          3HD2      LEU  32  -8.792  -0.891   6.087
  245   HD22  LEU  32          1HD2      LEU  32  -9.623  -0.627   4.557
  246   HD23  LEU  32          2HD2      LEU  32  -8.453   0.559   5.142
  247    H    VAL  33           H        VAL  33  -7.264  -1.281  -0.230
  248    HA   VAL  33           HA       VAL  33  -7.345   1.296  -1.356
  249    HB   VAL  33           HB       VAL  33  -6.781  -1.450  -2.569
  250   HG11  VAL  33          1HG1      VAL  33  -5.850  -0.311  -4.579
  251   HG12  VAL  33          2HG1      VAL  33  -6.515   1.222  -4.004
  252   HG13  VAL  33          3HG1      VAL  33  -7.595  -0.103  -4.435
  253   HG21  VAL  33          3HG2      VAL  33  -4.955   0.882  -1.860
  254   HG22  VAL  33          1HG2      VAL  33  -4.434  -0.643  -2.585
  255   HG23  VAL  33          2HG2      VAL  33  -5.122  -0.628  -0.965
  256    H    GLU  34           H        GLU  34  -9.260  -1.624  -2.251
  257    HA   GLU  34           HA       GLU  34 -10.812  -0.261  -4.216
  258    HB2  GLU  34           2HB      GLU  34 -12.126  -2.322  -4.387
  259    HB3  GLU  34           3HB      GLU  34 -10.404  -2.679  -4.329
  260    HG2  GLU  34           2HG      GLU  34 -10.604  -3.305  -1.946
  261    HG3  GLU  34           3HG      GLU  34 -12.323  -2.934  -1.992
  262    H    THR  35           H        THR  35 -11.344  -0.723  -0.739
  263    HA   THR  35           HA       THR  35 -14.187  -0.124  -0.889
  264    HB   THR  35           HB       THR  35 -14.145  -0.423   1.590
  265    HG1  THR  35           HG1      THR  35 -12.301  -0.566   2.680
  266   HG21  THR  35          3HG2      THR  35 -13.554  -2.822   1.678
  267   HG22  THR  35          1HG2      THR  35 -12.679  -2.676   0.153
  268   HG23  THR  35          2HG2      THR  35 -14.431  -2.457   0.192
  269    H    ASP  36           H        ASP  36 -11.167   1.353   0.195
  270    HA   ASP  36           HA       ASP  36 -12.483   3.987   0.459
  271    HB2  ASP  36           2HB      ASP  36 -11.999   2.794   2.730
  272    HB3  ASP  36           3HB      ASP  36 -10.302   3.087   2.393
  273    HA   PRO  37           HA       PRO  37  -8.907   4.003  -2.480
  274    HB2  PRO  37           2HB      PRO  37  -9.879   5.841  -4.247
  275    HB3  PRO  37           3HB      PRO  37 -10.430   4.160  -4.230
  276    HG2  PRO  37           2HG      PRO  37 -11.741   6.590  -3.015
  277    HG3  PRO  37           3HG      PRO  37 -12.469   5.283  -3.977
  278    HD2  PRO  37           2HD      PRO  37 -12.593   5.354  -1.244
  279    HD3  PRO  37           3HD      PRO  37 -12.569   3.831  -2.160
  280    H    ASP  38           H        ASP  38 -10.130   6.424  -0.399
  281    HA   ASP  38           HA       ASP  38  -7.961   8.345  -1.022
  282    HB2  ASP  38           2HB      ASP  38  -9.303   9.989   0.240
  283    HB3  ASP  38           3HB      ASP  38 -10.252   9.267  -1.050
  284    H    TYR  39           H        TYR  39  -7.674   5.749   0.490
  285    HA   TYR  39           HA       TYR  39  -6.696   6.769   3.101
  286    HB2  TYR  39           2HB      TYR  39  -8.387   4.792   3.068
  287    HB3  TYR  39           3HB      TYR  39  -7.098   3.832   2.364
  288    HD1  TYR  39           HD2      TYR  39  -5.072   3.284   3.725
  289    HD2  TYR  39           HD1      TYR  39  -8.355   5.403   5.438
  290    HE1  TYR  39           HE2      TYR  39  -4.215   2.792   5.960
  291    HE2  TYR  39           HE1      TYR  39  -7.485   4.923   7.683
  292    HH   TYR  39           HH       TYR  39  -4.361   3.677   8.217
  293    H    VAL  40           H        VAL  40  -4.692   7.566   2.434
  294    HA   VAL  40           HA       VAL  40  -3.205   6.526   0.251
  295    HB   VAL  40           HB       VAL  40  -2.340   8.497   2.418
  296   HG11  VAL  40          1HG1      VAL  40  -0.384   7.641   1.218
  297   HG12  VAL  40          2HG1      VAL  40  -0.686   9.317   0.763
  298   HG13  VAL  40          3HG1      VAL  40  -1.139   8.013  -0.335
  299   HG21  VAL  40          3HG2      VAL  40  -4.380   9.248   1.265
  300   HG22  VAL  40          1HG2      VAL  40  -3.601   9.029  -0.304
  301   HG23  VAL  40          2HG2      VAL  40  -3.012  10.263   0.812
  302    H    GLY  41           H        GLY  41  -2.941   6.063   3.733
  303    HA2  GLY  41           2HA      GLY  41  -0.317   5.177   4.054
  304    HA3  GLY  41           3HA      GLY  41  -1.663   4.727   5.084
  305    H    THR  42           H        THR  42  -3.177   3.342   3.140
  306    HA   THR  42           HA       THR  42  -2.163   0.740   3.371
  307    HB   THR  42           HB       THR  42  -4.351   1.904   1.607
  308    HG1  THR  42           HG1      THR  42  -5.632   1.340   3.258
  309   HG21  THR  42          3HG2      THR  42  -5.154  -0.412   1.312
  310   HG22  THR  42          1HG2      THR  42  -3.716  -1.023   2.135
  311   HG23  THR  42          2HG2      THR  42  -3.565  -0.194   0.584
  312    H    TYR  43           H        TYR  43  -2.090   3.037   0.638
  313    HA   TYR  43           HA       TYR  43  -1.506   1.231  -1.418
  314    HB2  TYR  43           2HB      TYR  43  -0.979   4.213  -1.161
  315    HB3  TYR  43           3HB      TYR  43  -0.639   3.320  -2.643
  316    HD1  TYR  43           HD2      TYR  43  -2.507   2.291  -3.934
  317    HD2  TYR  43           HD1      TYR  43  -3.293   4.819  -0.587
  318    HE1  TYR  43           HE2      TYR  43  -4.807   2.584  -4.700
  319    HE2  TYR  43           HE1      TYR  43  -5.609   5.107  -1.364
  320    HH   TYR  43           HH       TYR  43  -6.821   4.963  -3.551
  321    H    TYR  44           H        TYR  44   0.742   3.351   0.359
  322    HA   TYR  44           HA       TYR  44   3.151   2.578  -0.668
  323    HB2  TYR  44           2HB      TYR  44   2.698   4.455   0.948
  324    HB3  TYR  44           3HB      TYR  44   2.587   3.275   2.251
  325    HD1  TYR  44           HD2      TYR  44   4.951   4.375  -0.470
  326    HD2  TYR  44           HD1      TYR  44   4.564   2.865   3.512
  327    HE1  TYR  44           HE2      TYR  44   7.377   4.564  -0.158
  328    HE2  TYR  44           HE1      TYR  44   6.992   3.056   3.815
  329    HH   TYR  44           HH       TYR  44   8.956   4.843   1.840
  330    H    HIS  45           H        HIS  45   1.400   1.052   1.993
  331    HA   HIS  45           HA       HIS  45   3.543  -0.792   2.659
  332    HB2  HIS  45           2HB      HIS  45   0.705  -0.511   3.735
  333    HB3  HIS  45           3HB      HIS  45   1.853  -1.710   4.329
  334    HD1  HIS  45           HD1      HIS  45   3.011  -0.954   6.377
  335    HD2  HIS  45           HD2      HIS  45   2.078   2.246   3.908
  336    HE1  HIS  45           HE1      HIS  45   3.822   1.088   7.583
  337    HE2  HIS  45           HE2      HIS  45   3.042   3.015   6.166
  338    H    LEU  46           H        LEU  46   0.611  -0.907   0.786
  339    HA   LEU  46           HA       LEU  46   0.413  -3.734   0.441
  340    HB2  LEU  46           2HB      LEU  46  -1.544  -2.288   0.112
  341    HB3  LEU  46           3HB      LEU  46  -0.731  -1.422  -1.177
  342    HG   LEU  46           HG       LEU  46  -0.810  -3.406  -2.626
  343   HD11  LEU  46          1HD1      LEU  46  -1.957  -5.459  -2.032
  344   HD12  LEU  46          2HD1      LEU  46  -2.273  -4.859  -0.408
  345   HD13  LEU  46          3HD1      LEU  46  -0.616  -5.176  -0.926
  346   HD21  LEU  46          3HD2      LEU  46  -3.223  -3.545  -3.019
  347   HD22  LEU  46          1HD2      LEU  46  -2.720  -1.882  -2.710
  348   HD23  LEU  46          2HD2      LEU  46  -3.535  -2.806  -1.445
  349    H    GLY  47           H        GLY  47   1.893  -1.064  -1.374
  350    HA2  GLY  47           2HA      GLY  47   2.611  -2.573  -3.695
  351    HA3  GLY  47           3HA      GLY  47   3.156  -0.965  -3.258
  352    H    LYS  48           H        LYS  48   4.281  -1.534  -0.727
  353    HA   LYS  48           HA       LYS  48   6.873  -2.463  -1.347
  354    HB2  LYS  48           2HB      LYS  48   5.505  -2.053   1.341
  355    HB3  LYS  48           3HB      LYS  48   7.182  -2.582   1.212
  356    HG2  LYS  48           2HG      LYS  48   6.034   0.052   0.234
  357    HG3  LYS  48           3HG      LYS  48   7.107  -0.189   1.617
  358    HD2  LYS  48           2HD      LYS  48   8.854  -1.056  -0.013
  359    HD3  LYS  48           3HD      LYS  48   7.780  -0.580  -1.331
  360    HE2  LYS  48           2HE      LYS  48   9.433   1.148  -1.046
  361    HE3  LYS  48           3HE      LYS  48   7.895   1.789  -0.455
  362    HZ1  LYS  48           3HZ      LYS  48   9.615   2.336   1.092
  363    HZ2  LYS  48           1HZ      LYS  48  10.136   0.728   1.176
  364    HZ3  LYS  48           2HZ      LYS  48   8.634   1.162   1.809
  365    H    LEU  49           H        LEU  49   4.053  -4.088   0.008
  366    HA   LEU  49           HA       LEU  49   5.377  -6.583   0.556
  367    HB2  LEU  49           2HB      LEU  49   3.306  -5.981   1.711
  368    HB3  LEU  49           3HB      LEU  49   2.431  -5.950   0.190
  369    HG   LEU  49           HG       LEU  49   2.646  -8.377  -0.057
  370   HD11  LEU  49          1HD1      LEU  49   4.857  -8.756   0.905
  371   HD12  LEU  49          2HD1      LEU  49   3.672  -9.805   1.671
  372   HD13  LEU  49          3HD1      LEU  49   4.256  -8.375   2.521
  373   HD21  LEU  49          3HD2      LEU  49   1.675  -7.619   2.721
  374   HD22  LEU  49          1HD2      LEU  49   1.271  -9.106   1.858
  375   HD23  LEU  49          2HD2      LEU  49   0.735  -7.549   1.231
  376    H    TYR  50           H        TYR  50   3.564  -5.266  -2.206
  377    HA   TYR  50           HA       TYR  50   3.510  -7.545  -3.866
  378    HB2  TYR  50           2HB      TYR  50   3.442  -4.574  -4.445
  379    HB3  TYR  50           3HB      TYR  50   3.516  -5.720  -5.774
  380    HD1  TYR  50           HD1      TYR  50   1.663  -7.859  -4.678
  381    HD2  TYR  50           HD2      TYR  50   1.287  -3.608  -4.801
  382    HE1  TYR  50           HE1      TYR  50  -0.777  -8.076  -4.793
  383    HE2  TYR  50           HE2      TYR  50  -1.154  -3.830  -4.903
  384    HH   TYR  50           HH       TYR  50  -2.768  -6.744  -4.284
  385    H    GLU  51           H        GLU  51   6.016  -5.050  -3.428
  386    HA   GLU  51           HA       GLU  51   7.829  -5.733  -5.450
  387    HB2  GLU  51           2HB      GLU  51   8.421  -4.711  -2.643
  388    HB3  GLU  51           3HB      GLU  51   9.599  -4.757  -3.949
  389    HG2  GLU  51           2HG      GLU  51   8.196  -3.143  -5.228
  390    HG3  GLU  51           3HG      GLU  51   7.084  -3.067  -3.862
  391    H    ARG  52           H        ARG  52   7.316  -7.119  -2.271
  392    HA   ARG  52           HA       ARG  52   9.654  -8.823  -2.257
  393    HB2  ARG  52           2HB      ARG  52   7.249  -8.800  -0.380
  394    HB3  ARG  52           3HB      ARG  52   8.816  -9.543  -0.061
  395    HG2  ARG  52           2HG      ARG  52   9.901  -7.400   0.091
  396    HG3  ARG  52           3HG      ARG  52   8.477  -6.568  -0.535
  397    HD2  ARG  52           2HD      ARG  52   7.240  -7.390   1.547
  398    HD3  ARG  52           3HD      ARG  52   8.823  -7.873   2.176
  399    HE   ARG  52           HE       ARG  52   8.724  -5.143   1.271
  400   HH11  ARG  52          1HH1      ARG  52   8.151  -7.229   4.035
  401   HH12  ARG  52          2HH1      ARG  52   8.195  -5.926   5.178
  402   HH21  ARG  52          1HH2      ARG  52   8.800  -3.452   2.768
  403   HH22  ARG  52          2HH2      ARG  52   8.583  -3.787   4.458
  404    H    LEU  53           H        LEU  53   6.226  -9.148  -2.986
  405    HA   LEU  53           HA       LEU  53   6.291 -12.055  -3.234
  406    HB2  LEU  53           2HB      LEU  53   4.099 -10.018  -3.750
  407    HB3  LEU  53           3HB      LEU  53   3.876 -11.759  -3.850
  408    HG   LEU  53           HG       LEU  53   4.583 -10.214  -1.318
  409   HD11  LEU  53          1HD1      LEU  53   2.279  -9.793  -2.013
  410   HD12  LEU  53          2HD1      LEU  53   2.319 -10.782  -0.557
  411   HD13  LEU  53          3HD1      LEU  53   1.970 -11.529  -2.117
  412   HD21  LEU  53          3HD2      LEU  53   4.232 -12.348  -0.136
  413   HD22  LEU  53          1HD2      LEU  53   5.573 -12.459  -1.270
  414   HD23  LEU  53          2HD2      LEU  53   4.015 -13.179  -1.674
  415    H    ASP  54           H        ASP  54   7.659  -9.920  -5.160
  416    HA   ASP  54           HA       ASP  54   8.335  -9.804  -7.304
  417    HB2  ASP  54           2HB      ASP  54   8.562 -12.324  -6.988
  418    HB3  ASP  54           3HB      ASP  54   6.982 -12.509  -7.732
  419    H    ARG  55           H        ARG  55   5.420  -9.180  -6.415
  420    HA   ARG  55           HA       ARG  55   3.950  -9.111  -8.948
  421    HB2  ARG  55           2HB      ARG  55   3.133  -8.319  -6.113
  422    HB3  ARG  55           3HB      ARG  55   2.056  -8.326  -7.504
  423    HG2  ARG  55           2HG      ARG  55   3.402 -10.769  -6.301
  424    HG3  ARG  55           3HG      ARG  55   1.719 -10.293  -6.053
  425    HD2  ARG  55           2HD      ARG  55   2.997 -11.116  -8.683
  426    HD3  ARG  55           3HD      ARG  55   1.855 -12.068  -7.725
  427    HE   ARG  55           HE       ARG  55   0.718  -9.559  -8.360
  428   HH11  ARG  55          1HH1      ARG  55   1.529 -12.586  -9.988
  429   HH12  ARG  55          2HH1      ARG  55   0.305 -12.372 -11.195
  430   HH21  ARG  55          1HH2      ARG  55  -0.805  -9.288  -9.960
  431   HH22  ARG  55          2HH2      ARG  55  -1.010 -10.505 -11.182
  432    H    THR  56           H        THR  56   6.147  -7.568  -9.129
  433    HA   THR  56           HA       THR  56   6.112  -4.953  -8.130
  434    HB   THR  56           HB       THR  56   7.400  -5.891 -10.726
  435    HG1  THR  56           HG1      THR  56   8.700  -6.967  -9.509
  436   HG21  THR  56          3HG2      THR  56   9.043  -4.100 -10.314
  437   HG22  THR  56          1HG2      THR  56   8.134  -3.570  -8.900
  438   HG23  THR  56          2HG2      THR  56   7.424  -3.436 -10.511
  439    H    ASP  57           H        ASP  57   4.615  -6.290 -11.051
  440    HA   ASP  57           HA       ASP  57   3.937  -3.922 -12.417
  441    HB2  ASP  57           2HB      ASP  57   2.377  -6.540 -12.321
  442    HB3  ASP  57           3HB      ASP  57   2.190  -5.282 -13.539
  443    H    ASP  58           H        ASP  58   2.255  -5.749  -9.949
  444    HA   ASP  58           HA       ASP  58  -0.087  -4.125  -9.763
  445    HB2  ASP  58           2HB      ASP  58   1.025  -6.033  -7.655
  446    HB3  ASP  58           3HB      ASP  58  -0.640  -5.486  -7.809
  447    H    ALA  59           H        ALA  59   3.052  -4.217  -8.123
  448    HA   ALA  59           HA       ALA  59   2.596  -2.430  -6.008
  449    HB1  ALA  59           3HB      ALA  59   4.649  -3.803  -6.179
  450    HB2  ALA  59           1HB      ALA  59   5.037  -2.095  -5.949
  451    HB3  ALA  59           2HB      ALA  59   5.189  -2.833  -7.546
  452    H    ILE  60           H        ILE  60   3.821  -1.784  -9.307
  453    HA   ILE  60           HA       ILE  60   4.150   1.011  -9.062
  454    HB   ILE  60           HB       ILE  60   3.515  -0.442 -11.676
  455   HG12  ILE  60          2HG1      ILE  60   5.390  -1.624 -10.668
  456   HG13  ILE  60          3HG1      ILE  60   6.024  -0.633 -11.971
  457   HG21  ILE  60          1HG2      ILE  60   5.030   2.156 -11.177
  458   HG22  ILE  60          2HG2      ILE  60   3.416   2.003 -11.871
  459   HG23  ILE  60          3HG2      ILE  60   4.810   1.382 -12.752
  460   HD11  ILE  60          3HD1      ILE  60   6.188  -0.059  -9.016
  461   HD12  ILE  60          1HD1      ILE  60   6.741   1.033 -10.289
  462   HD13  ILE  60          2HD1      ILE  60   7.497  -0.545 -10.093
  463    H    ASP  61           H        ASP  61   1.436  -0.971 -10.118
  464    HA   ASP  61           HA       ASP  61  -0.338   1.037 -10.971
  465    HB2  ASP  61           2HB      ASP  61  -0.682  -1.373 -11.450
  466    HB3  ASP  61           3HB      ASP  61  -0.973  -1.684  -9.740
  467    H    THR  62           H        THR  62   0.121  -0.479  -7.792
  468    HA   THR  62           HA       THR  62  -1.974   0.880  -6.430
  469    HB   THR  62           HB       THR  62   0.445  -0.652  -5.388
  470    HG1  THR  62           HG1      THR  62  -2.247  -1.326  -5.978
  471   HG21  THR  62          3HG2      THR  62  -2.052   0.188  -3.862
  472   HG22  THR  62          1HG2      THR  62  -0.429   0.829  -3.601
  473   HG23  THR  62          2HG2      THR  62  -0.775  -0.860  -3.247
  474    H    TYR  63           H        TYR  63   1.473   1.543  -6.857
  475    HA   TYR  63           HA       TYR  63   1.647   3.704  -5.004
  476    HB2  TYR  63           2HB      TYR  63   3.401   2.981  -7.379
  477    HB3  TYR  63           3HB      TYR  63   3.768   4.294  -6.261
  478    HD1  TYR  63           HD1      TYR  63   3.114   3.027  -3.622
  479    HD2  TYR  63           HD2      TYR  63   5.145   1.419  -7.020
  480    HE1  TYR  63           HE1      TYR  63   4.374   1.506  -2.160
  481    HE2  TYR  63           HE2      TYR  63   6.390  -0.098  -5.556
  482    HH   TYR  63           HH       TYR  63   7.083  -0.268  -3.314
  483    H    ALA  64           H        ALA  64   1.157   3.533  -8.531
  484    HA   ALA  64           HA       ALA  64   1.011   6.293  -9.089
  485    HB1  ALA  64           3HB      ALA  64  -0.259   3.986 -10.600
  486    HB2  ALA  64           1HB      ALA  64   1.384   4.590 -10.830
  487    HB3  ALA  64           2HB      ALA  64   0.001   5.612 -11.233
  488    H    GLN  65           H        GLN  65  -1.534   3.926  -8.341
  489    HA   GLN  65           HA       GLN  65  -3.811   5.584  -8.391
  490    HB2  GLN  65           2HB      GLN  65  -3.118   3.020  -6.921
  491    HB3  GLN  65           3HB      GLN  65  -4.626   3.844  -6.549
  492    HG2  GLN  65           2HG      GLN  65  -3.958   3.098  -9.392
  493    HG3  GLN  65           3HG      GLN  65  -4.619   1.902  -8.284
  494   HE21  GLN  65          1HE2      GLN  65  -5.623   5.328  -8.254
  495   HE22  GLN  65          2HE2      GLN  65  -7.205   5.032  -8.847
  496    H    GLY  66           H        GLY  66  -1.555   4.762  -5.832
  497    HA2  GLY  66           2HA      GLY  66  -2.564   6.218  -3.695
  498    HA3  GLY  66           3HA      GLY  66  -0.884   5.773  -3.929
  499    H    ILE  67           H        ILE  67  -0.356   7.260  -6.282
  500    HA   ILE  67           HA       ILE  67   0.550   9.686  -5.161
  501    HB   ILE  67           HB       ILE  67   0.332   8.699  -8.033
  502   HG12  ILE  67          2HG1      ILE  67   2.789   9.170  -6.272
  503   HG13  ILE  67          3HG1      ILE  67   2.005   7.613  -6.501
  504   HG21  ILE  67          1HG2      ILE  67   1.613  11.334  -7.219
  505   HG22  ILE  67          2HG2      ILE  67   0.187  11.131  -8.230
  506   HG23  ILE  67          3HG2      ILE  67   1.755  10.579  -8.807
  507   HD11  ILE  67          3HD1      ILE  67   4.010   7.827  -7.834
  508   HD12  ILE  67          1HD1      ILE  67   3.342   9.233  -8.659
  509   HD13  ILE  67          2HD1      ILE  67   2.587   7.647  -8.857
  510    H    GLU  68           H        GLU  68  -2.273   8.966  -7.158
  511    HA   GLU  68           HA       GLU  68  -3.181  11.554  -7.764
  512    HB2  GLU  68           2HB      GLU  68  -4.843   9.028  -7.318
  513    HB3  GLU  68           3HB      GLU  68  -5.354  10.457  -8.221
  514    HG2  GLU  68           2HG      GLU  68  -3.632  10.032  -9.913
  515    HG3  GLU  68           3HG      GLU  68  -3.029   8.661  -8.988
  516    H    VAL  69           H        VAL  69  -3.953   9.395  -5.083
  517    HA   VAL  69           HA       VAL  69  -5.673  11.358  -3.756
  518    HB   VAL  69           HB       VAL  69  -6.220   9.615  -2.150
  519   HG11  VAL  69          1HG1      VAL  69  -6.334   8.589  -5.020
  520   HG12  VAL  69          2HG1      VAL  69  -7.478   9.702  -4.266
  521   HG13  VAL  69          3HG1      VAL  69  -7.360   8.042  -3.689
  522   HG21  VAL  69          3HG2      VAL  69  -4.237   7.818  -3.606
  523   HG22  VAL  69          1HG2      VAL  69  -5.342   7.305  -2.322
  524   HG23  VAL  69          2HG2      VAL  69  -4.051   8.458  -1.974
  525    H    ALA  70           H        ALA  70  -2.372  10.479  -3.649
  526    HA   ALA  70           HA       ALA  70  -1.830  10.934  -0.859
  527    HB1  ALA  70           3HB      ALA  70  -0.380   9.493  -2.212
  528    HB2  ALA  70           1HB      ALA  70   0.541  10.799  -1.467
  529    HB3  ALA  70           2HB      ALA  70   0.124  10.874  -3.184
  530    H    ARG  71           H        ARG  71  -1.417  12.840  -3.808
  531    HA   ARG  71           HA       ARG  71  -0.337  15.163  -2.595
  532    HB2  ARG  71           2HB      ARG  71  -1.012  16.303  -4.737
  533    HB3  ARG  71           3HB      ARG  71  -0.081  14.828  -4.973
  534    HG2  ARG  71           2HG      ARG  71  -2.183  13.600  -5.451
  535    HG3  ARG  71           3HG      ARG  71  -3.083  15.108  -5.280
  536    HD2  ARG  71           2HD      ARG  71  -1.856  16.059  -7.208
  537    HD3  ARG  71           3HD      ARG  71  -0.942  14.551  -7.367
  538    HE   ARG  71           HE       ARG  71  -2.913  13.427  -8.049
  539   HH11  ARG  71          1HH1      ARG  71  -3.408  16.895  -7.784
  540   HH12  ARG  71          2HH1      ARG  71  -4.878  16.878  -8.702
  541   HH21  ARG  71          1HH2      ARG  71  -4.842  13.414  -9.240
  542   HH22  ARG  71          2HH2      ARG  71  -5.688  14.906  -9.524
  543    H    GLU  72           H        GLU  72  -3.678  14.080  -3.063
  544    HA   GLU  72           HA       GLU  72  -4.828  16.684  -2.396
  545    HB2  GLU  72           2HB      GLU  72  -6.193  14.035  -3.041
  546    HB3  GLU  72           3HB      GLU  72  -6.993  15.600  -2.920
  547    HG2  GLU  72           2HG      GLU  72  -4.941  14.784  -5.003
  548    HG3  GLU  72           3HG      GLU  72  -6.679  14.943  -5.254
  549    H    GLU  73           H        GLU  73  -5.122  13.358  -1.140
  550    HA   GLU  73           HA       GLU  73  -6.580  14.216   1.234
  551    HB2  GLU  73           2HB      GLU  73  -5.812  11.405   0.326
  552    HB3  GLU  73           3HB      GLU  73  -6.980  11.807   1.581
  553    HG2  GLU  73           2HG      GLU  73  -7.256  12.499  -1.362
  554    HG3  GLU  73           3HG      GLU  73  -8.037  11.135  -0.565
  555    H    GLY  74           H        GLY  74  -3.453  12.705   0.413
  556    HA2  GLY  74           2HA      GLY  74  -2.663  12.528   3.238
  557    HA3  GLY  74           3HA      GLY  74  -1.772  11.929   1.840
  558    H    THR  75           H        THR  75  -0.094  13.064   3.303
  559    HA   THR  75           HA       THR  75   0.116  15.950   2.962
  560    HB   THR  75           HB       THR  75   2.215  15.743   4.229
  561    HG1  THR  75           HG1      THR  75   1.910  12.973   4.580
  562   HG21  THR  75          3HG2      THR  75   0.061  13.998   5.476
  563   HG22  THR  75          1HG2      THR  75   0.134  15.759   5.563
  564   HG23  THR  75          2HG2      THR  75   1.381  14.785   6.342
  565    H    GLN  76           H        GLN  76   2.328  16.792   2.159
  566    HA   GLN  76           HA       GLN  76   2.920  16.004  -0.497
  567    HB2  GLN  76           2HB      GLN  76   3.357  18.288   0.466
  568    HB3  GLN  76           3HB      GLN  76   4.663  17.613   1.423
  569    HG2  GLN  76           2HG      GLN  76   5.676  18.698  -0.429
  570    HG3  GLN  76           3HG      GLN  76   5.812  16.971  -0.743
  571   HE21  GLN  76          1HE2      GLN  76   5.924  19.222  -2.633
  572   HE22  GLN  76          2HE2      GLN  76   4.672  18.944  -3.793
  573    H    LYS  77           H        LYS  77   4.199  15.064   2.622
  574    HA   LYS  77           HA       LYS  77   6.520  13.666   1.766
  575    HB2  LYS  77           2HB      LYS  77   6.111  14.437   4.119
  576    HB3  LYS  77           3HB      LYS  77   4.856  13.212   4.282
  577    HG2  LYS  77           2HG      LYS  77   6.547  11.429   3.957
  578    HG3  LYS  77           3HG      LYS  77   7.802  12.659   3.770
  579    HD2  LYS  77           2HD      LYS  77   7.205  13.460   6.126
  580    HD3  LYS  77           3HD      LYS  77   6.184  12.028   6.265
  581    HE2  LYS  77           2HE      LYS  77   9.177  12.010   5.775
  582    HE3  LYS  77           3HE      LYS  77   8.389  11.691   7.318
  583    HZ1  LYS  77           3HZ      LYS  77   7.361   9.746   6.381
  584    HZ2  LYS  77           1HZ      LYS  77   9.035   9.666   6.152
  585    HZ3  LYS  77           2HZ      LYS  77   8.023  10.070   4.860
  586    H    ASP  78           H        ASP  78   3.152  12.661   2.419
  587    HA   ASP  78           HA       ASP  78   3.374   9.896   1.921
  588    HB2  ASP  78           2HB      ASP  78   1.044  11.833   1.654
  589    HB3  ASP  78           3HB      ASP  78   0.854  10.142   1.204
  590    H    LEU  79           H        LEU  79   2.631  12.565  -0.260
  591    HA   LEU  79           HA       LEU  79   2.353  11.181  -2.667
  592    HB2  LEU  79           2HB      LEU  79   1.766  13.560  -2.373
  593    HB3  LEU  79           3HB      LEU  79   3.463  13.972  -2.166
  594    HG   LEU  79           HG       LEU  79   3.897  13.245  -4.526
  595   HD11  LEU  79          1HD1      LEU  79   0.889  12.916  -4.681
  596   HD12  LEU  79          2HD1      LEU  79   2.100  11.631  -4.794
  597   HD13  LEU  79          3HD1      LEU  79   2.008  12.864  -6.047
  598   HD21  LEU  79          3HD2      LEU  79   2.840  15.187  -5.628
  599   HD22  LEU  79          1HD2      LEU  79   3.528  15.619  -4.063
  600   HD23  LEU  79          2HD2      LEU  79   1.783  15.410  -4.232
  601    H    SER  80           H        SER  80   5.253  12.590  -1.151
  602    HA   SER  80           HA       SER  80   7.103  11.994  -3.181
  603    HB2  SER  80           2HB      SER  80   7.479  13.664  -1.336
  604    HB3  SER  80           3HB      SER  80   7.672  12.327  -0.202
  605    HG   SER  80           HG       SER  80   9.380  11.657  -1.900
  606    H    GLU  81           H        GLU  81   6.059  10.145  -0.335
  607    HA   GLU  81           HA       GLU  81   8.008   8.104  -0.365
  608    HB2  GLU  81           2HB      GLU  81   5.167   8.210   0.738
  609    HB3  GLU  81           3HB      GLU  81   6.188   6.792   0.943
  610    HG2  GLU  81           2HG      GLU  81   6.819   9.574   1.962
  611    HG3  GLU  81           3HG      GLU  81   6.169   8.247   2.925
  612    H    LEU  82           H        LEU  82   4.828   8.344  -1.899
  613    HA   LEU  82           HA       LEU  82   4.833   5.681  -2.982
  614    HB2  LEU  82           2HB      LEU  82   3.091   8.111  -3.453
  615    HB3  LEU  82           3HB      LEU  82   2.803   6.572  -4.257
  616    HG   LEU  82           HG       LEU  82   2.907   6.822  -1.223
  617   HD11  LEU  82          1HD1      LEU  82   0.450   6.936  -2.972
  618   HD12  LEU  82          2HD1      LEU  82   1.101   8.246  -1.991
  619   HD13  LEU  82          3HD1      LEU  82   0.459   6.804  -1.213
  620   HD21  LEU  82          3HD2      LEU  82   1.784   4.663  -3.039
  621   HD22  LEU  82          1HD2      LEU  82   1.709   4.675  -1.274
  622   HD23  LEU  82          2HD2      LEU  82   3.267   4.560  -2.084
  623    H    GLN  83           H        GLN  83   5.770   8.836  -4.215
  624    HA   GLN  83           HA       GLN  83   6.194   8.042  -6.943
  625    HB2  GLN  83           2HB      GLN  83   7.179  10.433  -5.338
  626    HB3  GLN  83           3HB      GLN  83   7.478  10.232  -7.063
  627    HG2  GLN  83           2HG      GLN  83   5.098  10.336  -7.541
  628    HG3  GLN  83           3HG      GLN  83   4.714  10.358  -5.824
  629   HE21  GLN  83          1HE2      GLN  83   6.799  12.263  -5.107
  630   HE22  GLN  83          2HE2      GLN  83   6.286  13.795  -5.706
  631    H    ASP  84           H        ASP  84   8.235   8.275  -4.073
  632    HA   ASP  84           HA       ASP  84  10.723   7.569  -5.264
  633    HB2  ASP  84           2HB      ASP  84   9.664   7.834  -2.466
  634    HB3  ASP  84           3HB      ASP  84  11.145   6.935  -2.664
  635    H    ALA  85           H        ALA  85   8.124   5.764  -3.681
  636    HA   ALA  85           HA       ALA  85   9.468   3.283  -3.538
  637    HB1  ALA  85           3HB      ALA  85   7.619   3.889  -2.041
  638    HB2  ALA  85           1HB      ALA  85   7.291   2.377  -2.893
  639    HB3  ALA  85           2HB      ALA  85   6.507   3.872  -3.408
  640    H    LYS  86           H        LYS  86   7.134   4.643  -5.928
  641    HA   LYS  86           HA       LYS  86   7.005   2.324  -7.520
  642    HB2  LYS  86           2HB      LYS  86   6.048   3.642  -9.300
  643    HB3  LYS  86           3HB      LYS  86   5.366   4.152  -7.766
  644    HG2  LYS  86           2HG      LYS  86   6.660   6.174  -7.763
  645    HG3  LYS  86           3HG      LYS  86   7.607   5.645  -9.151
  646    HD2  LYS  86           2HD      LYS  86   4.643   6.324  -9.159
  647    HD3  LYS  86           3HD      LYS  86   5.944   7.328  -9.804
  648    HE2  LYS  86           2HE      LYS  86   6.478   5.491 -11.428
  649    HE3  LYS  86           3HE      LYS  86   5.066   4.610 -10.839
  650    HZ1  LYS  86           3HZ      LYS  86   5.016   7.301 -12.088
  651    HZ2  LYS  86           1HZ      LYS  86   3.669   6.427 -11.566
  652    HZ3  LYS  86           2HZ      LYS  86   4.596   5.853 -12.856
  653    H    LEU  87           H        LEU  87   9.279   5.114  -7.686
  654    HA   LEU  87           HA       LEU  87  10.371   4.325 -10.189
  655    HB2  LEU  87           2HB      LEU  87  12.097   6.016  -9.858
  656    HB3  LEU  87           3HB      LEU  87  10.513   6.623  -9.432
  657    HG   LEU  87           HG       LEU  87  11.223   6.185  -6.955
  658   HD11  LEU  87          1HD1      LEU  87  13.999   6.301  -8.165
  659   HD12  LEU  87          2HD1      LEU  87  13.282   4.918  -7.335
  660   HD13  LEU  87          3HD1      LEU  87  13.602   6.403  -6.446
  661   HD21  LEU  87          3HD2      LEU  87  12.207   8.420  -6.774
  662   HD22  LEU  87          1HD2      LEU  87  10.845   8.415  -7.890
  663   HD23  LEU  87          2HD2      LEU  87  12.493   8.455  -8.516
  664    H    LYS  88           H        LYS  88  11.331   3.577  -6.847
  665    HA   LYS  88           HA       LYS  88  13.683   2.097  -7.552
  666    HB2  LYS  88           2HB      LYS  88  13.656   1.257  -5.227
  667    HB3  LYS  88           3HB      LYS  88  13.460   3.003  -5.303
  668    HG2  LYS  88           2HG      LYS  88  11.119   2.833  -4.814
  669    HG3  LYS  88           3HG      LYS  88  11.144   1.080  -4.980
  670    HD2  LYS  88           2HD      LYS  88  12.619   2.639  -2.831
  671    HD3  LYS  88           3HD      LYS  88  11.060   1.857  -2.618
  672    HE2  LYS  88           2HE      LYS  88  13.649   0.451  -3.305
  673    HE3  LYS  88           3HE      LYS  88  12.868   0.467  -1.724
  674    HZ1  LYS  88           3HZ      LYS  88  12.364  -1.556  -2.913
  675    HZ2  LYS  88           1HZ      LYS  88  11.709  -0.686  -4.207
  676    HZ3  LYS  88           2HZ      LYS  88  10.953  -0.652  -2.695
  677    H    ALA  89           H        ALA  89  10.296   1.110  -6.855
  678    HA   ALA  89           HA       ALA  89  10.571  -1.632  -7.143
  679    HB1  ALA  89           3HB      ALA  89   8.162   0.077  -7.826
  680    HB2  ALA  89           1HB      ALA  89   8.555  -0.580  -6.241
  681    HB3  ALA  89           2HB      ALA  89   8.141  -1.668  -7.563
  682    H    GLU  90           H        GLU  90  10.027   0.832  -9.643
  683    HA   GLU  90           HA       GLU  90   9.799  -0.873 -11.882
  684    HB2  GLU  90           2HB      GLU  90  10.836   1.984 -11.649
  685    HB3  GLU  90           3HB      GLU  90  10.606   1.162 -13.194
  686    HG2  GLU  90           2HG      GLU  90   8.205   0.947 -12.759
  687    HG3  GLU  90           3HG      GLU  90   8.409   1.668 -11.166
  688    H    GLY  91           H        GLY  91  12.572   0.504 -10.199
  689    HA2  GLY  91           2HA      GLY  91  14.645  -0.417 -11.901
  690    HA3  GLY  91           3HA      GLY  91  14.808   0.085 -10.228
  691    H    LEU  92           H        LEU  92  12.633  -2.245  -9.804
  692    HA   LEU  92           HA       LEU  92  14.543  -4.208  -8.935
  693    HB2  LEU  92           2HB      LEU  92  11.509  -4.370  -9.126
  694    HB3  LEU  92           3HB      LEU  92  12.520  -5.593  -8.369
  695    HG   LEU  92           HG       LEU  92  12.205  -2.720  -7.417
  696   HD11  LEU  92          1HD1      LEU  92  10.191  -4.041  -7.008
  697   HD12  LEU  92          2HD1      LEU  92  11.019  -3.685  -5.494
  698   HD13  LEU  92          3HD1      LEU  92  11.146  -5.297  -6.210
  699   HD21  LEU  92          3HD2      LEU  92  14.454  -3.522  -6.924
  700   HD22  LEU  92          1HD2      LEU  92  13.804  -4.991  -6.189
  701   HD23  LEU  92          2HD2      LEU  92  13.507  -3.418  -5.444
  702    H    GLU  93           H        GLU  93  11.821  -4.523 -11.256
  703    HA   GLU  93           HA       GLU  93  12.967  -6.917 -12.422
  704    HB2  GLU  93           2HB      GLU  93  10.947  -6.903 -13.897
  705    HB3  GLU  93           3HB      GLU  93  10.565  -6.889 -12.180
  706    HG2  GLU  93           2HG      GLU  93   9.967  -4.547 -12.253
  707    HG3  GLU  93           3HG      GLU  93  10.561  -4.398 -13.907
  708    H    HIS  94           H        HIS  94  12.509  -3.558 -13.370
  709    HA   HIS  94           HA       HIS  94  13.843  -3.988 -15.969
  710    HB2  HIS  94           2HB      HIS  94  11.634  -2.742 -15.842
  711    HB3  HIS  94           3HB      HIS  94  12.437  -1.491 -14.907
  712    HD1  HIS  94           HD1      HIS  94  11.414  -0.072 -16.973
  713    HD2  HIS  94           HD2      HIS  94  14.663  -2.519 -17.832
  714    HE1  HIS  94           HE1      HIS  94  12.316   0.742 -19.167
  715    HE2  HIS  94           HE2      HIS  94  14.238  -0.793 -19.693
  716    H    HIS  95           H        HIS  95  15.997  -3.611 -16.028
  717    HA   HIS  95           HA       HIS  95  17.491  -2.722 -13.836
  718    HB2  HIS  95           2HB      HIS  95  19.452  -2.676 -15.404
  719    HB3  HIS  95           3HB      HIS  95  18.534  -4.170 -15.454
  720    HD1  HIS  95           HD1      HIS  95  17.189  -4.678 -17.618
  721    HD2  HIS  95           HD2      HIS  95  19.533  -1.257 -17.840
  722    HE1  HIS  95           HE1      HIS  95  17.254  -4.069 -20.041
  723    HE2  HIS  95           HE2      HIS  95  18.852  -2.128 -20.172
  724    H    HIS  96           H        HIS  96  17.224  -0.763 -12.977
  725    HA   HIS  96           HA       HIS  96  16.561   1.625 -14.341
  726    HB2  HIS  96           2HB      HIS  96  16.968   2.774 -12.206
  727    HB3  HIS  96           3HB      HIS  96  16.072   1.290 -11.937
  728    HD1  HIS  96           HD1      HIS  96  17.292  -0.625 -10.634
  729    HD2  HIS  96           HD2      HIS  96  19.517   2.867 -11.012
  730    HE1  HIS  96           HE1      HIS  96  19.190  -0.851  -9.013
  731    HE2  HIS  96           HE2      HIS  96  20.616   1.182  -9.396
  732    H    HIS  97           H        HIS  97  17.885   3.614 -14.462
  733    HA   HIS  97           HA       HIS  97  19.584   4.741 -15.447
  734    HB2  HIS  97           2HB      HIS  97  20.793   4.167 -13.301
  735    HB3  HIS  97           3HB      HIS  97  21.432   2.726 -14.070
  736    HD1  HIS  97           HD1      HIS  97  21.979   6.376 -13.732
  737    HD2  HIS  97           HD2      HIS  97  23.511   3.244 -15.983
  738    HE1  HIS  97           HE1      HIS  97  24.119   7.236 -14.715
  739    HE2  HIS  97           HE2      HIS  97  25.116   5.255 -15.892
  740    H    HIS  98           H        HIS  98  18.401   3.664 -17.255
  741    HA   HIS  98           HA       HIS  98  19.341   1.439 -18.708
  742    HB2  HIS  98           2HB      HIS  98  17.077   2.364 -19.010
  743    HB3  HIS  98           3HB      HIS  98  17.739   3.867 -19.631
  744    HD1  HIS  98           HD1      HIS  98  17.423   3.993 -22.079
  745    HD2  HIS  98           HD2      HIS  98  18.103   0.086 -20.844
  746    HE1  HIS  98           HE1      HIS  98  17.437   2.618 -24.177
  747    HE2  HIS  98           HE2      HIS  98  17.865   0.258 -23.407
  748    H    HIS  99           H        HIS  99  19.989   4.905 -19.038
  749    HA   HIS  99           HA       HIS  99  22.375   4.352 -20.715
  750    HB2  HIS  99           2HB      HIS  99  20.862   6.962 -20.260
  751    HB3  HIS  99           3HB      HIS  99  22.353   6.828 -21.179
  752    HD1  HIS  99           HD1      HIS  99  19.862   7.982 -22.486
  753    HD2  HIS  99           HD2      HIS  99  20.893   3.949 -22.673
  754    HE1  HIS  99           HE1      HIS  99  18.720   7.080 -24.538
  755    HE2  HIS  99           HE2      HIS  99  19.434   4.687 -24.684
  Start of MODEL   19
    1    H1   GLU   1           1H       GLU   1 -12.712  -1.907  18.553
    2    H2   GLU   1           2H       GLU   1 -14.348  -2.061  18.167
    3    H3   GLU   1           3H       GLU   1 -13.693  -0.545  18.489
    4    HA   GLU   1           HA       GLU   1 -14.036  -0.809  16.150
    5    HB2  GLU   1           2HB      GLU   1 -11.088  -0.870  16.960
    6    HB3  GLU   1           3HB      GLU   1 -11.661  -0.425  15.358
    7    HG2  GLU   1           2HG      GLU   1 -11.159   1.594  16.523
    8    HG3  GLU   1           3HG      GLU   1 -12.908   1.492  16.369
    9    H    ASP   2           H        ASP   2 -14.752  -2.542  15.010
   10    HA   ASP   2           HA       ASP   2 -13.413  -5.100  14.862
   11    HB2  ASP   2           2HB      ASP   2 -15.683  -3.853  13.238
   12    HB3  ASP   2           3HB      ASP   2 -15.059  -5.463  12.898
   13    HA   PRO   3           HA       PRO   3 -10.517  -4.335  11.471
   14    HB2  PRO   3           2HB      PRO   3 -11.602  -6.765  10.073
   15    HB3  PRO   3           3HB      PRO   3  -9.934  -6.369  10.514
   16    HG2  PRO   3           2HG      PRO   3 -11.299  -8.183  11.923
   17    HG3  PRO   3           3HG      PRO   3 -10.232  -7.025  12.749
   18    HD2  PRO   3           2HD      PRO   3 -13.243  -6.979  12.489
   19    HD3  PRO   3           3HD      PRO   3 -12.227  -6.621  13.907
   20    H    GLU   4           H        GLU   4 -13.883  -4.380  10.932
   21    HA   GLU   4           HA       GLU   4 -14.236  -3.595   8.299
   22    HB2  GLU   4           2HB      GLU   4 -15.643  -2.512  10.791
   23    HB3  GLU   4           3HB      GLU   4 -16.248  -2.371   9.143
   24    HG2  GLU   4           2HG      GLU   4 -15.873  -4.961  10.681
   25    HG3  GLU   4           3HG      GLU   4 -17.406  -4.137  10.390
   26    H    ASP   5           H        ASP   5 -13.223  -1.709  11.109
   27    HA   ASP   5           HA       ASP   5 -13.232   0.869   9.910
   28    HB2  ASP   5           2HB      ASP   5 -11.767  -0.140  12.391
   29    HB3  ASP   5           3HB      ASP   5 -11.921   1.558  11.941
   30    HA   PRO   6           HA       PRO   6  -9.718   0.768   7.150
   31    HB2  PRO   6           2HB      PRO   6  -9.263   3.525   8.329
   32    HB3  PRO   6           3HB      PRO   6  -9.190   3.010   6.633
   33    HG2  PRO   6           2HG      PRO   6 -11.353   4.260   7.586
   34    HG3  PRO   6           3HG      PRO   6 -11.523   2.916   6.434
   35    HD2  PRO   6           2HD      PRO   6 -12.077   2.973   9.376
   36    HD3  PRO   6           3HD      PRO   6 -12.816   1.975   8.108
   37    H    PHE   7           H        PHE   7  -8.870   2.474  10.196
   38    HA   PHE   7           HA       PHE   7  -6.131   1.856  10.120
   39    HB2  PHE   7           2HB      PHE   7  -7.061   3.729  11.450
   40    HB3  PHE   7           3HB      PHE   7  -7.807   2.581  12.556
   41    HD1  PHE   7           HD2      PHE   7  -4.486   3.696  11.235
   42    HD2  PHE   7           HD1      PHE   7  -6.556   1.736  14.431
   43    HE1  PHE   7           HE2      PHE   7  -2.411   3.639  12.555
   44    HE2  PHE   7           HE1      PHE   7  -4.475   1.676  15.734
   45    HZ   PHE   7           HZ       PHE   7  -2.404   2.628  14.804
   46    H    THR   8           H        THR   8  -8.852   0.107  11.650
   47    HA   THR   8           HA       THR   8  -7.351  -1.546  13.346
   48    HB   THR   8           HB       THR   8  -9.996  -2.372  12.084
   49    HG1  THR   8           HG1      THR   8 -10.995  -1.137  13.605
   50   HG21  THR   8          3HG2      THR   8  -8.879  -4.133  13.443
   51   HG22  THR   8          1HG2      THR   8 -10.331  -3.546  14.252
   52   HG23  THR   8          2HG2      THR   8  -8.742  -3.006  14.796
   53    H    ARG   9           H        ARG   9  -8.621  -2.297  10.035
   54    HA   ARG   9           HA       ARG   9  -7.327  -4.865   9.889
   55    HB2  ARG   9           2HB      ARG   9  -8.040  -4.994   7.597
   56    HB3  ARG   9           3HB      ARG   9  -9.353  -4.289   8.524
   57    HG2  ARG   9           2HG      ARG   9  -7.631  -2.202   7.403
   58    HG3  ARG   9           3HG      ARG   9  -8.200  -3.278   6.138
   59    HD2  ARG   9           2HD      ARG   9 -10.063  -1.978   8.130
   60    HD3  ARG   9           3HD      ARG   9  -9.594  -1.209   6.615
   61    HE   ARG   9           HE       ARG   9 -10.886  -3.871   6.636
   62   HH11  ARG   9          1HH1      ARG   9 -10.848  -0.532   5.572
   63   HH12  ARG   9          2HH1      ARG   9 -12.200  -0.722   4.515
   64   HH21  ARG   9          1HH2      ARG   9 -12.697  -4.098   5.271
   65   HH22  ARG   9          2HH2      ARG   9 -13.260  -2.736   4.354
   66    H    TYR  10           H        TYR  10  -6.377  -1.597   9.089
   67    HA   TYR  10           HA       TYR  10  -4.163  -2.074   7.402
   68    HB2  TYR  10           2HB      TYR  10  -5.102   0.136   7.506
   69    HB3  TYR  10           3HB      TYR  10  -4.919   0.215   9.253
   70    HD1  TYR  10           HD2      TYR  10  -2.834  -0.039   6.112
   71    HD2  TYR  10           HD1      TYR  10  -3.082   1.409  10.132
   72    HE1  TYR  10           HE2      TYR  10  -0.692   1.132   5.832
   73    HE2  TYR  10           HE1      TYR  10  -0.943   2.571   9.842
   74    HH   TYR  10           HH       TYR  10   1.077   2.331   8.418
   75    H    ALA  11           H        ALA  11  -4.323  -1.472  10.886
   76    HA   ALA  11           HA       ALA  11  -1.557  -1.869  11.425
   77    HB1  ALA  11           3HB      ALA  11  -2.989  -0.435  12.825
   78    HB2  ALA  11           1HB      ALA  11  -2.245  -1.712  13.790
   79    HB3  ALA  11           2HB      ALA  11  -3.940  -1.837  13.314
   80    H    LEU  12           H        LEU  12  -4.453  -3.893  11.584
   81    HA   LEU  12           HA       LEU  12  -3.340  -6.189  12.823
   82    HB2  LEU  12           2HB      LEU  12  -5.766  -5.749  12.662
   83    HB3  LEU  12           3HB      LEU  12  -5.699  -5.940  10.919
   84    HG   LEU  12           HG       LEU  12  -5.117  -8.351  11.214
   85   HD11  LEU  12          1HD1      LEU  12  -3.982  -8.278  13.374
   86   HD12  LEU  12          2HD1      LEU  12  -5.316  -9.427  13.419
   87   HD13  LEU  12          3HD1      LEU  12  -5.493  -7.846  14.184
   88   HD21  LEU  12          3HD2      LEU  12  -7.332  -9.117  11.991
   89   HD22  LEU  12          1HD2      LEU  12  -7.471  -7.725  10.917
   90   HD23  LEU  12          2HD2      LEU  12  -7.658  -7.516  12.658
   91    H    ALA  13           H        ALA  13  -3.537  -5.116   9.477
   92    HA   ALA  13           HA       ALA  13  -2.534  -7.422   8.182
   93    HB1  ALA  13           3HB      ALA  13  -3.681  -5.633   6.955
   94    HB2  ALA  13           1HB      ALA  13  -2.082  -5.942   6.271
   95    HB3  ALA  13           2HB      ALA  13  -2.351  -4.527   7.295
   96    H    GLN  14           H        GLN  14  -0.934  -4.487   9.430
   97    HA   GLN  14           HA       GLN  14   1.718  -5.236   8.740
   98    HB2  GLN  14           2HB      GLN  14   0.750  -3.320  10.902
   99    HB3  GLN  14           3HB      GLN  14   2.406  -3.426  10.306
  100    HG2  GLN  14           2HG      GLN  14   1.551  -2.806   8.019
  101    HG3  GLN  14           3HG      GLN  14  -0.036  -2.546   8.736
  102   HE21  GLN  14          1HE2      GLN  14   3.232  -1.346   8.499
  103   HE22  GLN  14          2HE2      GLN  14   2.915   0.217   9.174
  104    H    GLU  15           H        GLU  15  -0.326  -5.997  11.518
  105    HA   GLU  15           HA       GLU  15   1.668  -7.248  13.141
  106    HB2  GLU  15           2HB      GLU  15  -1.343  -7.642  13.018
  107    HB3  GLU  15           3HB      GLU  15  -0.310  -8.438  14.205
  108    HG2  GLU  15           2HG      GLU  15   0.358  -6.226  15.097
  109    HG3  GLU  15           3HG      GLU  15  -0.685  -5.441  13.911
  110    H    HIS  16           H        HIS  16  -0.596  -8.483  10.666
  111    HA   HIS  16           HA       HIS  16   0.118 -11.180  10.695
  112    HB2  HIS  16           2HB      HIS  16  -0.811  -9.494   8.339
  113    HB3  HIS  16           3HB      HIS  16  -0.733 -11.257   8.324
  114    HD1  HIS  16           HD1      HIS  16  -1.929 -11.421  11.356
  115    HD2  HIS  16           HD2      HIS  16  -3.606  -9.502   8.088
  116    HE1  HIS  16           HE1      HIS  16  -4.374 -11.331  11.815
  117    HE2  HIS  16           HE2      HIS  16  -5.386 -10.322   9.760
  118    H    LEU  17           H        LEU  17   1.703  -8.444   9.083
  119    HA   LEU  17           HA       LEU  17   3.635  -9.940   7.633
  120    HB2  LEU  17           2HB      LEU  17   3.724  -7.092   8.689
  121    HB3  LEU  17           3HB      LEU  17   4.923  -7.772   7.594
  122    HG   LEU  17           HG       LEU  17   1.959  -7.446   6.937
  123   HD11  LEU  17          1HD1      LEU  17   3.084  -5.276   7.047
  124   HD12  LEU  17          2HD1      LEU  17   2.662  -5.687   5.387
  125   HD13  LEU  17          3HD1      LEU  17   4.332  -5.851   5.938
  126   HD21  LEU  17          3HD2      LEU  17   2.969  -9.373   5.770
  127   HD22  LEU  17          1HD2      LEU  17   4.250  -8.327   5.143
  128   HD23  LEU  17          2HD2      LEU  17   2.573  -8.072   4.652
  129    H    LYS  18           H        LYS  18   3.539  -8.762  10.954
  130    HA   LYS  18           HA       LYS  18   6.235  -9.447  11.671
  131    HB2  LYS  18           2HB      LYS  18   3.777  -9.018  13.428
  132    HB3  LYS  18           3HB      LYS  18   5.435  -9.115  14.017
  133    HG2  LYS  18           2HG      LYS  18   6.026  -7.070  12.797
  134    HG3  LYS  18           3HG      LYS  18   4.414  -7.002  12.091
  135    HD2  LYS  18           2HD      LYS  18   4.565  -5.387  13.912
  136    HD3  LYS  18           3HD      LYS  18   3.440  -6.671  14.364
  137    HE2  LYS  18           2HE      LYS  18   5.132  -7.703  15.793
  138    HE3  LYS  18           3HE      LYS  18   6.347  -6.548  15.246
  139    HZ1  LYS  18           3HZ      LYS  18   5.089  -4.776  16.282
  140    HZ2  LYS  18           1HZ      LYS  18   5.471  -5.970  17.413
  141    HZ3  LYS  18           2HZ      LYS  18   3.907  -5.869  16.793
  142    H    HIS  19           H        HIS  19   3.126 -11.152  11.739
  143    HA   HIS  19           HA       HIS  19   4.290 -13.589  12.895
  144    HB2  HIS  19           2HB      HIS  19   1.446 -12.850  12.089
  145    HB3  HIS  19           3HB      HIS  19   1.891 -14.458  12.650
  146    HD1  HIS  19           HD1      HIS  19   1.999 -14.820  15.128
  147    HD2  HIS  19           HD2      HIS  19   1.708 -10.799  14.138
  148    HE1  HIS  19           HE1      HIS  19   1.594 -13.623  17.293
  149    HE2  HIS  19           HE2      HIS  19   1.243 -11.222  16.640
  150    H    ASP  20           H        ASP  20   4.489 -12.351   9.909
  151    HA   ASP  20           HA       ASP  20   5.179 -13.144   7.921
  152    HB2  ASP  20           2HB      ASP  20   5.201 -15.879   9.261
  153    HB3  ASP  20           3HB      ASP  20   5.892 -15.532   7.678
  154    H    ASN  21           H        ASN  21   2.192 -13.551   8.968
  155    HA   ASN  21           HA       ASN  21   1.053 -15.126   6.801
  156    HB2  ASN  21           2HB      ASN  21  -0.274 -13.346   8.909
  157    HB3  ASN  21           3HB      ASN  21  -1.130 -14.424   7.811
  158   HD21  ASN  21          1HD2      ASN  21  -0.993 -16.696   8.190
  159   HD22  ASN  21          2HD2      ASN  21  -0.451 -17.334   9.698
  160    H    ALA  22           H        ALA  22   2.495 -13.526   5.441
  161    HA   ALA  22           HA       ALA  22   1.742 -10.864   4.919
  162    HB1  ALA  22           3HB      ALA  22   3.930 -11.802   4.285
  163    HB2  ALA  22           1HB      ALA  22   3.128 -11.044   2.907
  164    HB3  ALA  22           2HB      ALA  22   3.149 -12.804   3.063
  165    H    SER  23           H        SER  23   0.628 -13.912   3.520
  166    HA   SER  23           HA       SER  23  -1.010 -13.097   1.467
  167    HB2  SER  23           2HB      SER  23  -2.351 -15.188   2.053
  168    HB3  SER  23           3HB      SER  23  -0.612 -15.440   1.882
  169    HG   SER  23           HG       SER  23  -0.505 -15.982   3.906
  170    H    ARG  24           H        ARG  24  -1.911 -13.385   4.924
  171    HA   ARG  24           HA       ARG  24  -4.579 -12.422   4.617
  172    HB2  ARG  24           2HB      ARG  24  -2.797 -12.774   7.061
  173    HB3  ARG  24           3HB      ARG  24  -4.481 -12.268   7.165
  174    HG2  ARG  24           2HG      ARG  24  -3.506 -14.909   6.018
  175    HG3  ARG  24           3HG      ARG  24  -4.222 -14.674   7.616
  176    HD2  ARG  24           2HD      ARG  24  -6.331 -13.927   6.574
  177    HD3  ARG  24           3HD      ARG  24  -5.630 -14.147   4.965
  178    HE   ARG  24           HE       ARG  24  -5.636 -16.495   6.693
  179   HH11  ARG  24          1HH1      ARG  24  -7.298 -14.826   4.084
  180   HH12  ARG  24          2HH1      ARG  24  -8.258 -16.206   3.666
  181   HH21  ARG  24          1HH2      ARG  24  -6.902 -18.284   6.125
  182   HH22  ARG  24          2HH2      ARG  24  -8.043 -18.155   4.823
  183    H    ALA  25           H        ALA  25  -1.499 -10.900   5.370
  184    HA   ALA  25           HA       ALA  25  -2.421  -8.311   6.084
  185    HB1  ALA  25           3HB      ALA  25  -0.120  -7.596   5.615
  186    HB2  ALA  25           1HB      ALA  25   0.204  -9.124   4.789
  187    HB3  ALA  25           2HB      ALA  25  -0.128  -9.108   6.522
  188    H    LEU  26           H        LEU  26  -1.604  -9.844   3.043
  189    HA   LEU  26           HA       LEU  26  -1.602  -7.580   1.336
  190    HB2  LEU  26           2HB      LEU  26  -0.546  -9.851   0.879
  191    HB3  LEU  26           3HB      LEU  26  -2.159 -10.471   0.576
  192    HG   LEU  26           HG       LEU  26  -2.362  -8.765  -1.306
  193   HD11  LEU  26          1HD1      LEU  26   0.617  -8.401  -0.826
  194   HD12  LEU  26          2HD1      LEU  26  -0.638  -7.180  -0.599
  195   HD13  LEU  26          3HD1      LEU  26  -0.292  -7.793  -2.210
  196   HD21  LEU  26          3HD2      LEU  26  -0.151 -10.835  -1.568
  197   HD22  LEU  26          1HD2      LEU  26  -1.020 -10.080  -2.908
  198   HD23  LEU  26          2HD2      LEU  26  -1.879 -11.127  -1.780
  199    H    ALA  27           H        ALA  27  -3.977 -10.064   2.091
  200    HA   ALA  27           HA       ALA  27  -6.170  -9.235   0.608
  201    HB1  ALA  27           3HB      ALA  27  -7.506 -10.575   2.179
  202    HB2  ALA  27           1HB      ALA  27  -6.159 -10.596   3.323
  203    HB3  ALA  27           2HB      ALA  27  -6.005 -11.404   1.762
  204    H    LEU  28           H        LEU  28  -5.253  -8.244   3.950
  205    HA   LEU  28           HA       LEU  28  -7.545  -6.596   4.370
  206    HB2  LEU  28           2HB      LEU  28  -4.882  -6.703   5.817
  207    HB3  LEU  28           3HB      LEU  28  -6.194  -5.649   6.317
  208    HG   LEU  28           HG       LEU  28  -6.297  -8.695   6.279
  209   HD11  LEU  28          1HD1      LEU  28  -6.348  -8.535   8.730
  210   HD12  LEU  28          2HD1      LEU  28  -6.188  -6.780   8.625
  211   HD13  LEU  28          3HD1      LEU  28  -4.872  -7.819   8.079
  212   HD21  LEU  28          3HD2      LEU  28  -8.519  -7.707   5.801
  213   HD22  LEU  28          1HD2      LEU  28  -8.401  -6.733   7.266
  214   HD23  LEU  28          2HD2      LEU  28  -8.483  -8.492   7.376
  215    H    PHE  29           H        PHE  29  -4.314  -5.923   3.074
  216    HA   PHE  29           HA       PHE  29  -4.601  -3.067   3.042
  217    HB2  PHE  29           2HB      PHE  29  -2.670  -4.940   1.634
  218    HB3  PHE  29           3HB      PHE  29  -2.634  -3.204   1.398
  219    HD1  PHE  29           HD2      PHE  29  -2.999  -2.142   4.139
  220    HD2  PHE  29           HD1      PHE  29  -0.668  -5.468   2.771
  221    HE1  PHE  29           HE2      PHE  29  -1.465  -1.871   6.049
  222    HE2  PHE  29           HE1      PHE  29   0.855  -5.178   4.679
  223    HZ   PHE  29           HZ       PHE  29   0.463  -3.386   6.319
  224    H    GLU  30           H        GLU  30  -5.124  -5.649   0.628
  225    HA   GLU  30           HA       GLU  30  -6.073  -3.960  -1.458
  226    HB2  GLU  30           2HB      GLU  30  -6.419  -6.921  -0.899
  227    HB3  GLU  30           3HB      GLU  30  -7.153  -6.155  -2.302
  228    HG2  GLU  30           2HG      GLU  30  -4.911  -5.447  -3.085
  229    HG3  GLU  30           3HG      GLU  30  -4.187  -6.245  -1.689
  230    H    GLU  31           H        GLU  31  -7.613  -5.387   1.358
  231    HA   GLU  31           HA       GLU  31 -10.327  -4.931   0.592
  232    HB2  GLU  31           2HB      GLU  31  -9.590  -6.556   2.367
  233    HB3  GLU  31           3HB      GLU  31  -9.138  -5.194   3.387
  234    HG2  GLU  31           2HG      GLU  31 -11.519  -4.445   3.378
  235    HG3  GLU  31           3HG      GLU  31 -11.937  -5.880   2.435
  236    H    LEU  32           H        LEU  32  -7.834  -3.156   2.307
  237    HA   LEU  32           HA       LEU  32  -9.214  -0.836   3.004
  238    HB2  LEU  32           2HB      LEU  32  -6.339  -1.504   2.450
  239    HB3  LEU  32           3HB      LEU  32  -6.780   0.181   2.630
  240    HG   LEU  32           HG       LEU  32  -7.342  -1.899   4.765
  241   HD11  LEU  32          1HD1      LEU  32  -4.979  -0.001   4.573
  242   HD12  LEU  32          2HD1      LEU  32  -4.920  -1.758   4.401
  243   HD13  LEU  32          3HD1      LEU  32  -5.373  -1.044   5.942
  244   HD21  LEU  32          3HD2      LEU  32  -7.299   1.141   4.880
  245   HD22  LEU  32          1HD2      LEU  32  -7.638   0.041   6.220
  246   HD23  LEU  32          2HD2      LEU  32  -8.748   0.130   4.859
  247    H    VAL  33           H        VAL  33  -7.460  -1.616  -0.077
  248    HA   VAL  33           HA       VAL  33  -7.787   0.902  -1.305
  249    HB   VAL  33           HB       VAL  33  -7.587  -1.824  -2.689
  250   HG11  VAL  33          1HG1      VAL  33  -7.171   0.947  -3.889
  251   HG12  VAL  33          2HG1      VAL  33  -8.487  -0.161  -4.265
  252   HG13  VAL  33          3HG1      VAL  33  -6.836  -0.579  -4.717
  253   HG21  VAL  33          3HG2      VAL  33  -5.421   0.215  -2.094
  254   HG22  VAL  33          1HG2      VAL  33  -5.196  -1.292  -2.988
  255   HG23  VAL  33          2HG2      VAL  33  -5.633  -1.334  -1.281
  256    H    GLU  34           H        GLU  34  -9.770  -2.043  -1.659
  257    HA   GLU  34           HA       GLU  34 -11.601  -0.998  -3.519
  258    HB2  GLU  34           2HB      GLU  34 -12.936  -3.015  -3.104
  259    HB3  GLU  34           3HB      GLU  34 -11.223  -3.397  -3.242
  260    HG2  GLU  34           2HG      GLU  34 -11.044  -3.579  -0.807
  261    HG3  GLU  34           3HG      GLU  34 -12.745  -3.155  -0.632
  262    H    THR  35           H        THR  35 -11.838  -1.099   0.092
  263    HA   THR  35           HA       THR  35 -14.533   0.055   0.001
  264    HB   THR  35           HB       THR  35 -14.490  -0.186   2.472
  265    HG1  THR  35           HG1      THR  35 -12.173   0.119   2.713
  266   HG21  THR  35          3HG2      THR  35 -15.218  -2.135   1.132
  267   HG22  THR  35          1HG2      THR  35 -14.416  -2.635   2.622
  268   HG23  THR  35          2HG2      THR  35 -13.555  -2.726   1.085
  269    H    ASP  36           H        ASP  36 -11.241   1.036   0.586
  270    HA   ASP  36           HA       ASP  36 -12.044   3.819   1.225
  271    HB2  ASP  36           2HB      ASP  36  -9.935   2.183   2.709
  272    HB3  ASP  36           3HB      ASP  36 -10.142   3.917   2.902
  273    HA   PRO  37           HA       PRO  37  -8.842   3.687  -2.227
  274    HB2  PRO  37           2HB      PRO  37 -10.625   5.697  -3.510
  275    HB3  PRO  37           3HB      PRO  37 -10.001   4.177  -4.167
  276    HG2  PRO  37           2HG      PRO  37 -12.607   4.453  -3.505
  277    HG3  PRO  37           3HG      PRO  37 -11.745   2.915  -3.270
  278    HD2  PRO  37           2HD      PRO  37 -12.369   5.061  -1.227
  279    HD3  PRO  37           3HD      PRO  37 -12.583   3.296  -1.107
  280    H    ASP  38           H        ASP  38 -10.270   5.981  -0.179
  281    HA   ASP  38           HA       ASP  38  -8.808   8.335  -0.830
  282    HB2  ASP  38           2HB      ASP  38 -11.119   8.101   0.260
  283    HB3  ASP  38           3HB      ASP  38 -10.301   7.591   1.730
  284    H    TYR  39           H        TYR  39  -8.425   5.646   1.425
  285    HA   TYR  39           HA       TYR  39  -6.545   6.794   3.208
  286    HB2  TYR  39           2HB      TYR  39  -8.098   4.639   3.415
  287    HB3  TYR  39           3HB      TYR  39  -6.716   3.793   2.736
  288    HD1  TYR  39           HD1      TYR  39  -8.005   5.613   5.697
  289    HD2  TYR  39           HD2      TYR  39  -4.650   3.479   4.113
  290    HE1  TYR  39           HE1      TYR  39  -7.055   5.421   7.955
  291    HE2  TYR  39           HE2      TYR  39  -3.709   3.283   6.371
  292    HH   TYR  39           HH       TYR  39  -5.514   4.110   9.205
  293    H    VAL  40           H        VAL  40  -4.605   7.486   2.551
  294    HA   VAL  40           HA       VAL  40  -3.308   6.631   0.131
  295    HB   VAL  40           HB       VAL  40  -2.221   8.434   2.342
  296   HG11  VAL  40          1HG1      VAL  40  -1.405   8.218  -0.583
  297   HG12  VAL  40          2HG1      VAL  40  -0.457   7.682   0.809
  298   HG13  VAL  40          3HG1      VAL  40  -0.783   9.399   0.571
  299   HG21  VAL  40          3HG2      VAL  40  -4.382   9.284   1.536
  300   HG22  VAL  40          1HG2      VAL  40  -3.810   9.205  -0.133
  301   HG23  VAL  40          2HG2      VAL  40  -3.072  10.337   1.001
  302    H    GLY  41           H        GLY  41  -2.775   6.036   3.580
  303    HA2  GLY  41           2HA      GLY  41  -0.151   4.957   3.487
  304    HA3  GLY  41           3HA      GLY  41  -1.317   4.732   4.782
  305    H    THR  42           H        THR  42  -3.310   3.574   2.948
  306    HA   THR  42           HA       THR  42  -2.859   0.857   2.894
  307    HB   THR  42           HB       THR  42  -4.502   2.612   1.028
  308    HG1  THR  42           HG1      THR  42  -6.189   1.990   2.406
  309   HG21  THR  42          3HG2      THR  42  -4.583  -0.404   1.354
  310   HG22  THR  42          1HG2      THR  42  -4.126   0.477  -0.105
  311   HG23  THR  42          2HG2      THR  42  -5.787   0.550   0.487
  312    H    TYR  43           H        TYR  43  -2.438   3.181   0.236
  313    HA   TYR  43           HA       TYR  43  -1.670   1.338  -1.723
  314    HB2  TYR  43           2HB      TYR  43  -1.271   4.346  -1.588
  315    HB3  TYR  43           3HB      TYR  43  -0.925   3.378  -3.024
  316    HD1  TYR  43           HD2      TYR  43  -2.813   2.119  -4.163
  317    HD2  TYR  43           HD1      TYR  43  -3.575   4.985  -1.078
  318    HE1  TYR  43           HE2      TYR  43  -5.147   2.277  -4.885
  319    HE2  TYR  43           HE1      TYR  43  -5.912   5.128  -1.813
  320    HH   TYR  43           HH       TYR  43  -7.235   4.720  -3.774
  321    H    TYR  44           H        TYR  44   0.401   3.519   0.261
  322    HA   TYR  44           HA       TYR  44   2.870   2.743  -0.651
  323    HB2  TYR  44           2HB      TYR  44   2.470   4.552   1.030
  324    HB3  TYR  44           3HB      TYR  44   2.138   3.333   2.259
  325    HD1  TYR  44           HD2      TYR  44   4.819   4.370  -0.163
  326    HD2  TYR  44           HD1      TYR  44   3.967   2.579   3.619
  327    HE1  TYR  44           HE2      TYR  44   7.211   4.262   0.342
  328    HE2  TYR  44           HE1      TYR  44   6.367   2.460   4.114
  329    HH   TYR  44           HH       TYR  44   8.681   4.156   2.334
  330    H    HIS  45           H        HIS  45   1.308   1.336   2.245
  331    HA   HIS  45           HA       HIS  45   3.337  -0.594   2.648
  332    HB2  HIS  45           2HB      HIS  45   0.553  -0.384   3.859
  333    HB3  HIS  45           3HB      HIS  45   1.772  -1.533   4.406
  334    HD1  HIS  45           HD1      HIS  45   3.493  -0.661   6.056
  335    HD2  HIS  45           HD2      HIS  45   1.344   2.406   4.307
  336    HE1  HIS  45           HE1      HIS  45   4.175   1.411   7.271
  337    HE2  HIS  45           HE2      HIS  45   2.729   3.223   6.300
  338    H    LEU  46           H        LEU  46   0.252  -0.848   0.961
  339    HA   LEU  46           HA       LEU  46   0.211  -3.651   0.524
  340    HB2  LEU  46           2HB      LEU  46  -1.781  -2.278   0.144
  341    HB3  LEU  46           3HB      LEU  46  -0.965  -1.374  -1.120
  342    HG   LEU  46           HG       LEU  46  -0.883  -3.436  -2.534
  343   HD11  LEU  46          1HD1      LEU  46  -2.575  -4.760  -0.402
  344   HD12  LEU  46          2HD1      LEU  46  -0.890  -5.143  -0.753
  345   HD13  LEU  46          3HD1      LEU  46  -2.130  -5.442  -1.968
  346   HD21  LEU  46          3HD2      LEU  46  -2.736  -1.875  -2.840
  347   HD22  LEU  46          1HD2      LEU  46  -3.678  -2.724  -1.610
  348   HD23  LEU  46          2HD2      LEU  46  -3.257  -3.534  -3.122
  349    H    GLY  47           H        GLY  47   1.577  -0.925  -1.348
  350    HA2  GLY  47           2HA      GLY  47   2.360  -2.471  -3.617
  351    HA3  GLY  47           3HA      GLY  47   2.842  -0.824  -3.234
  352    H    LYS  48           H        LYS  48   3.973  -1.374  -0.656
  353    HA   LYS  48           HA       LYS  48   6.621  -2.071  -1.322
  354    HB2  LYS  48           2HB      LYS  48   5.388  -2.105   1.463
  355    HB3  LYS  48           3HB      LYS  48   7.107  -2.045   1.097
  356    HG2  LYS  48           2HG      LYS  48   5.061   0.134   0.615
  357    HG3  LYS  48           3HG      LYS  48   6.352   0.139   1.808
  358    HD2  LYS  48           2HD      LYS  48   6.803   0.120  -1.200
  359    HD3  LYS  48           3HD      LYS  48   6.781   1.581  -0.216
  360    HE2  LYS  48           2HE      LYS  48   8.736   0.804   1.029
  361    HE3  LYS  48           3HE      LYS  48   8.728  -0.722   0.136
  362    HZ1  LYS  48           3HZ      LYS  48  10.335   0.845  -0.763
  363    HZ2  LYS  48           1HZ      LYS  48   9.100   1.958  -1.080
  364    HZ3  LYS  48           2HZ      LYS  48   9.132   0.475  -1.894
  365    H    LEU  49           H        LEU  49   3.935  -3.869   0.036
  366    HA   LEU  49           HA       LEU  49   5.373  -6.287   0.594
  367    HB2  LEU  49           2HB      LEU  49   3.256  -5.674   1.737
  368    HB3  LEU  49           3HB      LEU  49   2.383  -5.847   0.223
  369    HG   LEU  49           HG       LEU  49   2.790  -8.272   0.201
  370   HD11  LEU  49          1HD1      LEU  49   3.948  -9.425   2.076
  371   HD12  LEU  49          2HD1      LEU  49   4.418  -7.858   2.741
  372   HD13  LEU  49          3HD1      LEU  49   5.035  -8.374   1.168
  373   HD21  LEU  49          3HD2      LEU  49   0.829  -7.476   1.476
  374   HD22  LEU  49          1HD2      LEU  49   1.810  -7.384   2.944
  375   HD23  LEU  49          2HD2      LEU  49   1.494  -8.947   2.183
  376    H    TYR  50           H        TYR  50   3.521  -5.042  -2.183
  377    HA   TYR  50           HA       TYR  50   3.564  -7.341  -3.816
  378    HB2  TYR  50           2HB      TYR  50   3.323  -4.388  -4.430
  379    HB3  TYR  50           3HB      TYR  50   3.481  -5.538  -5.752
  380    HD1  TYR  50           HD2      TYR  50   1.823  -7.812  -4.599
  381    HD2  TYR  50           HD1      TYR  50   1.069  -3.608  -4.805
  382    HE1  TYR  50           HE2      TYR  50  -0.587  -8.246  -4.620
  383    HE2  TYR  50           HE1      TYR  50  -1.345  -4.056  -4.836
  384    HH   TYR  50           HH       TYR  50  -2.674  -7.013  -4.002
  385    H    GLU  51           H        GLU  51   5.940  -4.684  -3.527
  386    HA   GLU  51           HA       GLU  51   7.743  -5.453  -5.535
  387    HB2  GLU  51           2HB      GLU  51   8.367  -4.125  -2.864
  388    HB3  GLU  51           3HB      GLU  51   9.455  -4.161  -4.251
  389    HG2  GLU  51           2HG      GLU  51   7.874  -2.814  -5.554
  390    HG3  GLU  51           3HG      GLU  51   6.731  -2.828  -4.213
  391    H    ARG  52           H        ARG  52   7.359  -6.567  -2.232
  392    HA   ARG  52           HA       ARG  52   9.709  -8.219  -2.098
  393    HB2  ARG  52           2HB      ARG  52   7.213  -8.080  -0.364
  394    HB3  ARG  52           3HB      ARG  52   8.656  -9.015   0.035
  395    HG2  ARG  52           2HG      ARG  52   9.994  -6.974   0.159
  396    HG3  ARG  52           3HG      ARG  52   8.609  -6.008  -0.356
  397    HD2  ARG  52           2HD      ARG  52   8.907  -5.807   2.044
  398    HD3  ARG  52           3HD      ARG  52   7.403  -6.664   1.699
  399    HE   ARG  52           HE       ARG  52   9.358  -8.607   2.052
  400   HH11  ARG  52          1HH1      ARG  52   7.856  -6.111   4.010
  401   HH12  ARG  52          2HH1      ARG  52   8.139  -6.951   5.502
  402   HH21  ARG  52          1HH2      ARG  52   9.714  -9.698   4.012
  403   HH22  ARG  52          2HH2      ARG  52   9.185  -8.986   5.505
  404    H    LEU  53           H        LEU  53   6.321  -8.730  -2.936
  405    HA   LEU  53           HA       LEU  53   6.559 -11.627  -3.191
  406    HB2  LEU  53           2HB      LEU  53   4.307  -9.723  -3.924
  407    HB3  LEU  53           3HB      LEU  53   4.189 -11.477  -3.956
  408    HG   LEU  53           HG       LEU  53   4.670  -9.818  -1.446
  409   HD11  LEU  53          1HD1      LEU  53   2.425  -9.427  -2.312
  410   HD12  LEU  53          2HD1      LEU  53   2.363 -10.374  -0.829
  411   HD13  LEU  53          3HD1      LEU  53   2.126 -11.166  -2.388
  412   HD21  LEU  53          3HD2      LEU  53   4.112 -12.792  -1.725
  413   HD22  LEU  53          1HD2      LEU  53   4.236 -11.900  -0.208
  414   HD23  LEU  53          2HD2      LEU  53   5.647 -12.064  -1.247
  415    H    ASP  54           H        ASP  54   7.969  -9.425  -4.983
  416    HA   ASP  54           HA       ASP  54   8.696  -9.119  -7.082
  417    HB2  ASP  54           2HB      ASP  54   9.288 -11.545  -6.751
  418    HB3  ASP  54           3HB      ASP  54   7.777 -11.997  -7.526
  419    H    ARG  55           H        ARG  55   5.761  -8.801  -6.407
  420    HA   ARG  55           HA       ARG  55   4.420  -8.805  -9.015
  421    HB2  ARG  55           2HB      ARG  55   3.393  -7.960  -6.258
  422    HB3  ARG  55           3HB      ARG  55   2.420  -8.064  -7.720
  423    HG2  ARG  55           2HG      ARG  55   3.709 -10.383  -6.244
  424    HG3  ARG  55           3HG      ARG  55   1.993  -9.972  -6.278
  425    HD2  ARG  55           2HD      ARG  55   3.686 -10.942  -8.597
  426    HD3  ARG  55           3HD      ARG  55   2.394 -11.831  -7.784
  427    HE   ARG  55           HE       ARG  55   1.905  -9.340  -9.311
  428   HH11  ARG  55          1HH1      ARG  55   1.000 -12.643  -8.593
  429   HH12  ARG  55          2HH1      ARG  55  -0.337 -12.639  -9.698
  430   HH21  ARG  55          1HH2      ARG  55   0.150  -9.315 -10.711
  431   HH22  ARG  55          2HH2      ARG  55  -0.820 -10.746 -10.918
  432    H    THR  56           H        THR  56   6.400  -7.273  -9.431
  433    HA   THR  56           HA       THR  56   6.468  -4.650  -8.390
  434    HB   THR  56           HB       THR  56   7.606  -5.700 -11.015
  435    HG1  THR  56           HG1      THR  56   9.253  -5.353  -8.813
  436   HG21  THR  56          3HG2      THR  56   8.435  -3.271  -9.367
  437   HG22  THR  56          1HG2      THR  56   7.612  -3.216 -10.930
  438   HG23  THR  56          2HG2      THR  56   9.247  -3.861 -10.815
  439    H    ASP  57           H        ASP  57   4.871  -6.047 -11.240
  440    HA   ASP  57           HA       ASP  57   4.105  -3.694 -12.594
  441    HB2  ASP  57           2HB      ASP  57   3.975  -6.135 -13.427
  442    HB3  ASP  57           3HB      ASP  57   2.490  -6.286 -12.503
  443    H    ASP  58           H        ASP  58   2.543  -5.604 -10.101
  444    HA   ASP  58           HA       ASP  58   0.110  -4.158  -9.859
  445    HB2  ASP  58           2HB      ASP  58   1.521  -5.959  -7.834
  446    HB3  ASP  58           3HB      ASP  58  -0.167  -5.453  -7.753
  447    H    ALA  59           H        ALA  59   3.247  -3.987  -8.228
  448    HA   ALA  59           HA       ALA  59   2.668  -2.188  -6.166
  449    HB1  ALA  59           3HB      ALA  59   5.091  -1.775  -6.070
  450    HB2  ALA  59           1HB      ALA  59   5.292  -2.543  -7.648
  451    HB3  ALA  59           2HB      ALA  59   4.749  -3.496  -6.264
  452    H    ILE  60           H        ILE  60   3.947  -1.531  -9.457
  453    HA   ILE  60           HA       ILE  60   4.248   1.261  -9.262
  454    HB   ILE  60           HB       ILE  60   3.515  -0.191 -11.857
  455   HG12  ILE  60          2HG1      ILE  60   5.355  -1.467 -10.897
  456   HG13  ILE  60          3HG1      ILE  60   5.974  -0.525 -12.237
  457   HG21  ILE  60          1HG2      ILE  60   3.530   2.257 -12.031
  458   HG22  ILE  60          2HG2      ILE  60   4.861   1.564 -12.959
  459   HG23  ILE  60          3HG2      ILE  60   5.177   2.316 -11.393
  460   HD11  ILE  60          3HD1      ILE  60   6.916   1.079 -10.648
  461   HD12  ILE  60          1HD1      ILE  60   7.531  -0.557 -10.412
  462   HD13  ILE  60          2HD1      ILE  60   6.314   0.092  -9.312
  463    H    ASP  61           H        ASP  61   1.534  -0.722 -10.296
  464    HA   ASP  61           HA       ASP  61  -0.294   1.241 -11.143
  465    HB2  ASP  61           2HB      ASP  61  -0.511  -1.186 -11.639
  466    HB3  ASP  61           3HB      ASP  61  -0.798  -1.528  -9.938
  467    H    THR  62           H        THR  62   0.081  -0.395  -7.996
  468    HA   THR  62           HA       THR  62  -2.015   0.809  -6.585
  469    HB   THR  62           HB       THR  62   0.621  -0.267  -5.463
  470    HG1  THR  62           HG1      THR  62  -0.130  -2.102  -6.170
  471   HG21  THR  62          3HG2      THR  62  -2.114  -0.012  -4.147
  472   HG22  THR  62          1HG2      THR  62  -0.694   0.965  -3.763
  473   HG23  THR  62          2HG2      THR  62  -0.688  -0.767  -3.429
  474    H    TYR  63           H        TYR  63   1.394   1.751  -6.896
  475    HA   TYR  63           HA       TYR  63   1.315   3.993  -5.154
  476    HB2  TYR  63           2HB      TYR  63   3.230   3.432  -7.441
  477    HB3  TYR  63           3HB      TYR  63   3.463   4.671  -6.207
  478    HD1  TYR  63           HD1      TYR  63   2.753   3.256  -3.700
  479    HD2  TYR  63           HD2      TYR  63   4.940   1.846  -7.083
  480    HE1  TYR  63           HE1      TYR  63   3.963   1.679  -2.270
  481    HE2  TYR  63           HE2      TYR  63   6.134   0.269  -5.653
  482    HH   TYR  63           HH       TYR  63   6.713   0.023  -3.350
  483    H    ALA  64           H        ALA  64   0.913   3.687  -8.694
  484    HA   ALA  64           HA       ALA  64   0.764   6.335  -9.472
  485    HB1  ALA  64           3HB      ALA  64  -0.865   4.021 -10.587
  486    HB2  ALA  64           1HB      ALA  64   0.783   4.446 -11.059
  487    HB3  ALA  64           2HB      ALA  64  -0.547   5.552 -11.411
  488    H    GLN  65           H        GLN  65  -1.952   4.266  -8.381
  489    HA   GLN  65           HA       GLN  65  -3.961   6.290  -8.395
  490    HB2  GLN  65           2HB      GLN  65  -3.887   3.484  -7.923
  491    HB3  GLN  65           3HB      GLN  65  -4.460   4.148  -6.410
  492    HG2  GLN  65           2HG      GLN  65  -5.757   4.803  -9.065
  493    HG3  GLN  65           3HG      GLN  65  -6.211   3.397  -8.117
  494   HE21  GLN  65          1HE2      GLN  65  -5.576   6.736  -6.917
  495   HE22  GLN  65          2HE2      GLN  65  -7.155   6.966  -6.290
  496    H    GLY  66           H        GLY  66  -1.723   5.069  -5.962
  497    HA2  GLY  66           2HA      GLY  66  -2.626   6.372  -3.667
  498    HA3  GLY  66           3HA      GLY  66  -0.973   5.855  -3.961
  499    H    ILE  67           H        ILE  67  -0.412   7.512  -6.181
  500    HA   ILE  67           HA       ILE  67   0.537   9.850  -4.987
  501    HB   ILE  67           HB       ILE  67   0.231   8.975  -7.882
  502   HG12  ILE  67          2HG1      ILE  67   2.757   9.374  -6.197
  503   HG13  ILE  67          3HG1      ILE  67   1.927   7.832  -6.369
  504   HG21  ILE  67          1HG2      ILE  67   1.588  11.548  -6.995
  505   HG22  ILE  67          2HG2      ILE  67   0.121  11.423  -7.962
  506   HG23  ILE  67          3HG2      ILE  67   1.657  10.865  -8.622
  507   HD11  ILE  67          3HD1      ILE  67   3.180   9.398  -8.616
  508   HD12  ILE  67          1HD1      ILE  67   2.414   7.810  -8.741
  509   HD13  ILE  67          2HD1      ILE  67   3.890   8.010  -7.794
  510    H    GLU  68           H        GLU  68  -2.328   9.281  -6.991
  511    HA   GLU  68           HA       GLU  68  -3.188  11.932  -7.396
  512    HB2  GLU  68           2HB      GLU  68  -4.966   9.471  -7.097
  513    HB3  GLU  68           3HB      GLU  68  -5.375  10.967  -7.932
  514    HG2  GLU  68           2HG      GLU  68  -3.617  10.484  -9.614
  515    HG3  GLU  68           3HG      GLU  68  -3.258   8.973  -8.778
  516    H    VAL  69           H        VAL  69  -3.939   9.590  -4.848
  517    HA   VAL  69           HA       VAL  69  -5.675  11.449  -3.420
  518    HB   VAL  69           HB       VAL  69  -6.084   9.636  -1.806
  519   HG11  VAL  69          1HG1      VAL  69  -7.481   9.762  -3.832
  520   HG12  VAL  69          2HG1      VAL  69  -7.271   8.086  -3.326
  521   HG13  VAL  69          3HG1      VAL  69  -6.354   8.713  -4.697
  522   HG21  VAL  69          3HG2      VAL  69  -3.876   8.530  -1.825
  523   HG22  VAL  69          1HG2      VAL  69  -4.165   7.956  -3.472
  524   HG23  VAL  69          2HG2      VAL  69  -5.165   7.371  -2.139
  525    H    ALA  70           H        ALA  70  -2.314  10.658  -3.383
  526    HA   ALA  70           HA       ALA  70  -1.755  11.229  -0.629
  527    HB1  ALA  70           3HB      ALA  70  -0.253   9.854  -1.989
  528    HB2  ALA  70           1HB      ALA  70   0.601  11.236  -1.297
  529    HB3  ALA  70           2HB      ALA  70   0.129  11.247  -3.000
  530    H    ARG  71           H        ARG  71  -1.477  13.121  -3.627
  531    HA   ARG  71           HA       ARG  71  -0.535  15.507  -2.357
  532    HB2  ARG  71           2HB      ARG  71  -0.978  16.595  -4.576
  533    HB3  ARG  71           3HB      ARG  71   0.006  15.140  -4.681
  534    HG2  ARG  71           2HG      ARG  71  -1.907  13.841  -5.450
  535    HG3  ARG  71           3HG      ARG  71  -2.965  15.244  -5.280
  536    HD2  ARG  71           2HD      ARG  71  -1.824  16.409  -7.065
  537    HD3  ARG  71           3HD      ARG  71  -0.564  15.173  -7.135
  538    HE   ARG  71           HE       ARG  71  -1.991  13.747  -8.253
  539   HH11  ARG  71          1HH1      ARG  71  -3.825  16.599  -7.321
  540   HH12  ARG  71          2HH1      ARG  71  -5.101  16.279  -8.449
  541   HH21  ARG  71          1HH2      ARG  71  -3.671  13.335  -9.690
  542   HH22  ARG  71          2HH2      ARG  71  -5.021  14.422  -9.789
  543    H    GLU  72           H        GLU  72  -3.747  14.223  -2.971
  544    HA   GLU  72           HA       GLU  72  -5.058  16.778  -2.408
  545    HB2  GLU  72           2HB      GLU  72  -6.274  14.037  -2.944
  546    HB3  GLU  72           3HB      GLU  72  -7.159  15.558  -2.855
  547    HG2  GLU  72           2HG      GLU  72  -5.144  14.725  -4.963
  548    HG3  GLU  72           3HG      GLU  72  -6.880  14.946  -5.169
  549    H    GLU  73           H        GLU  73  -5.039  13.518  -0.968
  550    HA   GLU  73           HA       GLU  73  -6.427  14.461   1.433
  551    HB2  GLU  73           2HB      GLU  73  -5.845  11.640   0.447
  552    HB3  GLU  73           3HB      GLU  73  -6.839  12.041   1.843
  553    HG2  GLU  73           2HG      GLU  73  -7.432  12.743  -1.042
  554    HG3  GLU  73           3HG      GLU  73  -8.232  11.493  -0.090
  555    H    GLY  74           H        GLY  74  -3.331  12.920   0.513
  556    HA2  GLY  74           2HA      GLY  74  -2.652  12.414   3.333
  557    HA3  GLY  74           3HA      GLY  74  -1.784  11.852   1.911
  558    H    THR  75           H        THR  75   0.060  12.646   3.278
  559    HA   THR  75           HA       THR  75   0.543  15.541   3.150
  560    HB   THR  75           HB       THR  75   2.650  14.994   4.411
  561    HG1  THR  75           HG1      THR  75   1.615  12.337   4.574
  562   HG21  THR  75          3HG2      THR  75   0.141  13.846   5.686
  563   HG22  THR  75          1HG2      THR  75   0.598  15.554   5.671
  564   HG23  THR  75          2HG2      THR  75   1.590  14.381   6.541
  565    H    GLN  76           H        GLN  76   2.805  16.192   2.472
  566    HA   GLN  76           HA       GLN  76   3.414  15.425  -0.203
  567    HB2  GLN  76           2HB      GLN  76   3.817  17.705   0.752
  568    HB3  GLN  76           3HB      GLN  76   5.080  17.041   1.779
  569    HG2  GLN  76           2HG      GLN  76   6.050  18.189  -0.133
  570    HG3  GLN  76           3HG      GLN  76   6.418  16.466  -0.211
  571   HE21  GLN  76          1HE2      GLN  76   6.749  16.435  -2.409
  572   HE22  GLN  76          2HE2      GLN  76   5.498  16.669  -3.576
  573    H    LYS  77           H        LYS  77   4.555  14.429   2.950
  574    HA   LYS  77           HA       LYS  77   6.856  12.957   2.278
  575    HB2  LYS  77           2HB      LYS  77   6.380  13.451   4.606
  576    HB3  LYS  77           3HB      LYS  77   4.831  12.614   4.520
  577    HG2  LYS  77           2HG      LYS  77   6.121  10.459   4.105
  578    HG3  LYS  77           3HG      LYS  77   7.599  11.360   4.451
  579    HD2  LYS  77           2HD      LYS  77   6.858  11.820   6.719
  580    HD3  LYS  77           3HD      LYS  77   5.265  11.134   6.385
  581    HE2  LYS  77           2HE      LYS  77   6.307   8.905   6.062
  582    HE3  LYS  77           3HE      LYS  77   7.884   9.598   6.437
  583    HZ1  LYS  77           3HZ      LYS  77   7.119  10.121   8.635
  584    HZ2  LYS  77           1HZ      LYS  77   6.868   8.479   8.329
  585    HZ3  LYS  77           2HZ      LYS  77   5.567   9.555   8.285
  586    H    ASP  78           H        ASP  78   3.437  11.952   2.621
  587    HA   ASP  78           HA       ASP  78   3.704   9.225   1.961
  588    HB2  ASP  78           2HB      ASP  78   1.307  11.052   1.465
  589    HB3  ASP  78           3HB      ASP  78   1.259   9.292   1.376
  590    H    LEU  79           H        LEU  79   2.995  12.051  -0.019
  591    HA   LEU  79           HA       LEU  79   2.707  10.911  -2.534
  592    HB2  LEU  79           2HB      LEU  79   2.128  13.242  -1.859
  593    HB3  LEU  79           3HB      LEU  79   3.838  13.633  -1.771
  594    HG   LEU  79           HG       LEU  79   4.049  13.299  -4.223
  595   HD11  LEU  79          1HD1      LEU  79   2.031  12.990  -5.618
  596   HD12  LEU  79          2HD1      LEU  79   1.068  12.741  -4.160
  597   HD13  LEU  79          3HD1      LEU  79   2.347  11.597  -4.582
  598   HD21  LEU  79          3HD2      LEU  79   3.531  15.547  -3.372
  599   HD22  LEU  79          1HD2      LEU  79   1.801  15.197  -3.452
  600   HD23  LEU  79          2HD2      LEU  79   2.760  15.280  -4.931
  601    H    SER  80           H        SER  80   5.626  12.106  -0.893
  602    HA   SER  80           HA       SER  80   7.463  11.769  -3.027
  603    HB2  SER  80           2HB      SER  80   7.869  13.289  -1.099
  604    HB3  SER  80           3HB      SER  80   7.999  11.895  -0.029
  605    HG   SER  80           HG       SER  80   9.975  11.609  -0.670
  606    H    GLU  81           H        GLU  81   6.458   9.689  -0.352
  607    HA   GLU  81           HA       GLU  81   8.397   7.641  -0.616
  608    HB2  GLU  81           2HB      GLU  81   5.631   7.705   0.643
  609    HB3  GLU  81           3HB      GLU  81   6.684   6.305   0.743
  610    HG2  GLU  81           2HG      GLU  81   7.331   9.054   1.843
  611    HG3  GLU  81           3HG      GLU  81   6.734   7.691   2.784
  612    H    LEU  82           H        LEU  82   5.142   8.046  -1.940
  613    HA   LEU  82           HA       LEU  82   4.886   5.475  -3.142
  614    HB2  LEU  82           2HB      LEU  82   3.448   8.098  -3.666
  615    HB3  LEU  82           3HB      LEU  82   2.958   6.556  -4.359
  616    HG   LEU  82           HG       LEU  82   3.120   6.977  -1.347
  617   HD11  LEU  82          1HD1      LEU  82   0.703   7.373  -1.330
  618   HD12  LEU  82          2HD1      LEU  82   0.688   7.381  -3.094
  619   HD13  LEU  82          3HD1      LEU  82   1.558   8.636  -2.213
  620   HD21  LEU  82          3HD2      LEU  82   3.084   4.635  -2.095
  621   HD22  LEU  82          1HD2      LEU  82   1.603   4.939  -3.009
  622   HD23  LEU  82          2HD2      LEU  82   1.598   5.054  -1.247
  623    H    GLN  83           H        GLN  83   5.787   8.670  -4.424
  624    HA   GLN  83           HA       GLN  83   6.093   7.990  -7.141
  625    HB2  GLN  83           2HB      GLN  83   7.402  10.192  -5.490
  626    HB3  GLN  83           3HB      GLN  83   7.570  10.067  -7.240
  627    HG2  GLN  83           2HG      GLN  83   5.143  10.357  -7.509
  628    HG3  GLN  83           3HG      GLN  83   4.945  10.449  -5.757
  629   HE21  GLN  83          1HE2      GLN  83   5.703  12.309  -4.675
  630   HE22  GLN  83          2HE2      GLN  83   6.005  13.793  -5.504
  631    H    ASP  84           H        ASP  84   8.429   8.113  -4.472
  632    HA   ASP  84           HA       ASP  84  10.779   7.417  -5.833
  633    HB2  ASP  84           2HB      ASP  84  10.830   8.335  -3.581
  634    HB3  ASP  84           3HB      ASP  84   9.939   6.962  -2.943
  635    H    ALA  85           H        ALA  85   8.398   5.394  -4.138
  636    HA   ALA  85           HA       ALA  85   9.846   2.991  -4.218
  637    HB1  ALA  85           3HB      ALA  85   8.027   3.438  -2.628
  638    HB2  ALA  85           1HB      ALA  85   7.769   1.923  -3.499
  639    HB3  ALA  85           2HB      ALA  85   6.853   3.369  -3.942
  640    H    LYS  86           H        LYS  86   7.289   4.239  -6.414
  641    HA   LYS  86           HA       LYS  86   7.244   1.912  -8.051
  642    HB2  LYS  86           2HB      LYS  86   5.975   3.241  -9.704
  643    HB3  LYS  86           3HB      LYS  86   5.315   3.347  -8.081
  644    HG2  LYS  86           2HG      LYS  86   6.272   5.584  -7.801
  645    HG3  LYS  86           3HG      LYS  86   7.006   5.490  -9.406
  646    HD2  LYS  86           2HD      LYS  86   4.017   5.452  -8.803
  647    HD3  LYS  86           3HD      LYS  86   4.924   6.829  -9.433
  648    HE2  LYS  86           2HE      LYS  86   5.480   5.475 -11.459
  649    HE3  LYS  86           3HE      LYS  86   4.457   4.178 -10.846
  650    HZ1  LYS  86           3HZ      LYS  86   2.580   5.742 -10.922
  651    HZ2  LYS  86           1HZ      LYS  86   3.273   5.489 -12.442
  652    HZ3  LYS  86           2HZ      LYS  86   3.591   6.916 -11.595
  653    H    LEU  87           H        LEU  87   9.106   4.986  -8.367
  654    HA   LEU  87           HA       LEU  87  10.033   4.364 -10.992
  655    HB2  LEU  87           2HB      LEU  87  11.597   6.238 -10.786
  656    HB3  LEU  87           3HB      LEU  87   9.969   6.669 -10.322
  657    HG   LEU  87           HG       LEU  87  10.842   6.377  -7.853
  658   HD11  LEU  87          1HD1      LEU  87  13.493   6.811  -9.261
  659   HD12  LEU  87          2HD1      LEU  87  13.024   5.389  -8.328
  660   HD13  LEU  87          3HD1      LEU  87  13.215   6.942  -7.521
  661   HD21  LEU  87          3HD2      LEU  87  11.705   8.747  -9.540
  662   HD22  LEU  87          1HD2      LEU  87  11.537   8.734  -7.781
  663   HD23  LEU  87          2HD2      LEU  87  10.119   8.514  -8.800
  664    H    LYS  88           H        LYS  88  11.405   3.763  -7.761
  665    HA   LYS  88           HA       LYS  88  13.831   2.613  -8.776
  666    HB2  LYS  88           2HB      LYS  88  14.376   2.043  -6.477
  667    HB3  LYS  88           3HB      LYS  88  13.786   3.687  -6.579
  668    HG2  LYS  88           2HG      LYS  88  12.710   3.021  -4.667
  669    HG3  LYS  88           3HG      LYS  88  11.477   2.592  -5.852
  670    HD2  LYS  88           2HD      LYS  88  12.241   0.247  -5.796
  671    HD3  LYS  88           3HD      LYS  88  13.504   0.673  -4.638
  672    HE2  LYS  88           2HE      LYS  88  11.779   1.328  -2.998
  673    HE3  LYS  88           3HE      LYS  88  10.514   0.928  -4.162
  674    HZ1  LYS  88           3HZ      LYS  88  11.427  -1.374  -4.151
  675    HZ2  LYS  88           1HZ      LYS  88  10.734  -0.881  -2.686
  676    HZ3  LYS  88           2HZ      LYS  88  12.411  -0.928  -2.852
  677    H    ALA  89           H        ALA  89  10.679   1.253  -7.809
  678    HA   ALA  89           HA       ALA  89  11.346  -1.465  -7.858
  679    HB1  ALA  89           3HB      ALA  89   8.697  -0.181  -8.573
  680    HB2  ALA  89           1HB      ALA  89   9.230  -0.631  -6.954
  681    HB3  ALA  89           2HB      ALA  89   8.938  -1.882  -8.163
  682    H    GLU  90           H        GLU  90  10.544   0.741 -10.528
  683    HA   GLU  90           HA       GLU  90  10.453  -1.095 -12.660
  684    HB2  GLU  90           2HB      GLU  90  11.446   1.783 -12.618
  685    HB3  GLU  90           3HB      GLU  90  11.133   0.869 -14.089
  686    HG2  GLU  90           2HG      GLU  90   9.012   1.438 -12.001
  687    HG3  GLU  90           3HG      GLU  90   9.324   2.487 -13.380
  688    H    GLY  91           H        GLY  91  13.167   0.342 -10.944
  689    HA2  GLY  91           2HA      GLY  91  15.322  -0.428 -12.559
  690    HA3  GLY  91           3HA      GLY  91  15.388  -0.124 -10.833
  691    H    LEU  92           H        LEU  92  13.443  -2.332 -10.222
  692    HA   LEU  92           HA       LEU  92  15.183  -4.531  -9.878
  693    HB2  LEU  92           2HB      LEU  92  12.141  -4.485  -9.987
  694    HB3  LEU  92           3HB      LEU  92  13.082  -5.880  -9.475
  695    HG   LEU  92           HG       LEU  92  13.034  -3.190  -8.054
  696   HD11  LEU  92          1HD1      LEU  92  10.891  -4.370  -7.812
  697   HD12  LEU  92          2HD1      LEU  92  11.774  -4.342  -6.286
  698   HD13  LEU  92          3HD1      LEU  92  11.739  -5.818  -7.255
  699   HD21  LEU  92          3HD2      LEU  92  14.289  -4.352  -6.263
  700   HD22  LEU  92          1HD2      LEU  92  15.200  -4.315  -7.773
  701   HD23  LEU  92          2HD2      LEU  92  14.387  -5.799  -7.268
  702    H    GLU  93           H        GLU  93  12.892  -3.715 -12.429
  703    HA   GLU  93           HA       GLU  93  13.478  -6.190 -13.938
  704    HB2  GLU  93           2HB      GLU  93  11.261  -4.141 -14.347
  705    HB3  GLU  93           3HB      GLU  93  11.433  -5.677 -15.198
  706    HG2  GLU  93           2HG      GLU  93  11.097  -6.883 -13.044
  707    HG3  GLU  93           3HG      GLU  93  10.874  -5.335 -12.229
  708    H    HIS  94           H        HIS  94  15.206  -3.629 -13.764
  709    HA   HIS  94           HA       HIS  94  15.140  -2.384 -16.322
  710    HB2  HIS  94           2HB      HIS  94  17.100  -1.233 -15.726
  711    HB3  HIS  94           3HB      HIS  94  16.406  -1.595 -14.158
  712    HD1  HIS  94           HD1      HIS  94  17.868  -3.020 -12.557
  713    HD2  HIS  94           HD2      HIS  94  19.495  -2.676 -16.352
  714    HE1  HIS  94           HE1      HIS  94  20.189  -3.900 -12.368
  715    HE2  HIS  94           HE2      HIS  94  21.087  -3.851 -14.712
  716    H    HIS  95           H        HIS  95  16.500  -5.356 -15.150
  717    HA   HIS  95           HA       HIS  95  18.268  -5.943 -17.292
  718    HB2  HIS  95           2HB      HIS  95  18.416  -8.176 -16.369
  719    HB3  HIS  95           3HB      HIS  95  18.371  -7.045 -15.029
  720    HD1  HIS  95           HD1      HIS  95  16.754 -10.055 -16.319
  721    HD2  HIS  95           HD2      HIS  95  15.773  -7.022 -13.667
  722    HE1  HIS  95           HE1      HIS  95  14.824 -10.923 -14.994
  723    HE2  HIS  95           HE2      HIS  95  14.356  -9.143 -13.285
  724    H    HIS  96           H        HIS  96  17.874  -6.806 -19.274
  725    HA   HIS  96           HA       HIS  96  15.125  -6.929 -20.213
  726    HB2  HIS  96           2HB      HIS  96  17.768  -7.249 -21.700
  727    HB3  HIS  96           3HB      HIS  96  16.189  -7.248 -22.471
  728    HD1  HIS  96           HD1      HIS  96  15.503  -5.045 -23.374
  729    HD2  HIS  96           HD2      HIS  96  18.206  -4.626 -20.251
  730    HE1  HIS  96           HE1      HIS  96  16.019  -2.595 -23.248
  731    HE2  HIS  96           HE2      HIS  96  17.510  -2.349 -21.236
  732    H    HIS  97           H        HIS  97  14.459  -8.740 -19.040
  733    HA   HIS  97           HA       HIS  97  13.892 -10.856 -18.591
  734    HB2  HIS  97           2HB      HIS  97  12.814 -11.998 -20.450
  735    HB3  HIS  97           3HB      HIS  97  12.554 -10.266 -20.556
  736    HD1  HIS  97           HD1      HIS  97  13.719 -13.139 -22.477
  737    HD2  HIS  97           HD2      HIS  97  14.141  -9.016 -22.702
  738    HE1  HIS  97           HE1      HIS  97  14.535 -12.675 -24.797
  739    HE2  HIS  97           HE2      HIS  97  14.727 -10.165 -24.929
  740    H    HIS  98           H        HIS  98  16.199 -11.417 -21.292
  741    HA   HIS  98           HA       HIS  98  17.887 -12.816 -21.654
  742    HB2  HIS  98           2HB      HIS  98  17.511 -13.632 -18.772
  743    HB3  HIS  98           3HB      HIS  98  18.508 -14.637 -19.817
  744    HD1  HIS  98           HD1      HIS  98  19.339 -12.718 -17.298
  745    HD2  HIS  98           HD2      HIS  98  20.101 -12.131 -21.340
  746    HE1  HIS  98           HE1      HIS  98  21.401 -11.305 -17.403
  747    HE2  HIS  98           HE2      HIS  98  21.913 -11.056 -19.847
  748    H    HIS  99           H        HIS  99  17.538 -14.218 -23.174
  749    HA   HIS  99           HA       HIS  99  16.279 -16.763 -22.765
  750    HB2  HIS  99           2HB      HIS  99  14.247 -15.353 -23.111
  751    HB3  HIS  99           3HB      HIS  99  14.905 -14.771 -24.637
  752    HD1  HIS  99           HD1      HIS  99  13.939 -15.951 -26.591
  753    HD2  HIS  99           HD2      HIS  99  14.023 -18.386 -23.224
  754    HE1  HIS  99           HE1      HIS  99  12.887 -18.115 -27.295
  755    HE2  HIS  99           HE2      HIS  99  12.819 -19.511 -25.209
  Start of MODEL   20
    1    H1   GLU   1           1H       GLU   1 -12.755  -0.210  17.815
    2    H2   GLU   1           2H       GLU   1 -12.592   0.114  19.463
    3    H3   GLU   1           3H       GLU   1 -13.864  -0.852  18.920
    4    HA   GLU   1           HA       GLU   1 -11.005  -1.520  18.668
    5    HB2  GLU   1           2HB      GLU   1 -13.069  -2.590  20.644
    6    HB3  GLU   1           3HB      GLU   1 -11.393  -3.125  20.510
    7    HG2  GLU   1           2HG      GLU   1 -10.630  -0.853  21.168
    8    HG3  GLU   1           3HG      GLU   1 -12.311  -0.347  21.343
    9    H    ASP   2           H        ASP   2 -13.665  -1.673  16.937
   10    HA   ASP   2           HA       ASP   2 -13.884  -4.504  16.369
   11    HB2  ASP   2           2HB      ASP   2 -14.913  -2.091  14.807
   12    HB3  ASP   2           3HB      ASP   2 -15.281  -3.767  14.408
   13    HA   PRO   3           HA       PRO   3 -10.348  -4.736  13.458
   14    HB2  PRO   3           2HB      PRO   3 -11.983  -7.007  12.326
   15    HB3  PRO   3           3HB      PRO   3 -10.284  -6.979  12.822
   16    HG2  PRO   3           2HG      PRO   3 -12.121  -8.178  14.344
   17    HG3  PRO   3           3HG      PRO   3 -10.799  -7.245  15.083
   18    HD2  PRO   3           2HD      PRO   3 -13.686  -6.459  14.682
   19    HD3  PRO   3           3HD      PRO   3 -12.622  -6.162  16.077
   20    H    GLU   4           H        GLU   4 -13.702  -4.464  12.682
   21    HA   GLU   4           HA       GLU   4 -13.746  -4.279   9.917
   22    HB2  GLU   4           2HB      GLU   4 -15.545  -2.916  11.955
   23    HB3  GLU   4           3HB      GLU   4 -15.913  -3.091  10.236
   24    HG2  GLU   4           2HG      GLU   4 -15.893  -5.553  10.483
   25    HG3  GLU   4           3HG      GLU   4 -15.539  -5.377  12.203
   26    H    ASP   5           H        ASP   5 -12.947  -1.815  12.307
   27    HA   ASP   5           HA       ASP   5 -13.158   0.485  10.705
   28    HB2  ASP   5           2HB      ASP   5 -11.404  -0.084  13.128
   29    HB3  ASP   5           3HB      ASP   5 -11.559   1.512  12.397
   30    HA   PRO   6           HA       PRO   6  -9.995   0.064   7.684
   31    HB2  PRO   6           2HB      PRO   6  -9.213   2.743   7.349
   32    HB3  PRO   6           3HB      PRO   6 -10.620   1.983   6.594
   33    HG2  PRO   6           2HG      PRO   6 -10.476   3.659   9.091
   34    HG3  PRO   6           3HG      PRO   6 -11.688   3.686   7.791
   35    HD2  PRO   6           2HD      PRO   6 -12.196   2.477  10.130
   36    HD3  PRO   6           3HD      PRO   6 -12.780   1.774   8.605
   37    H    PHE   7           H        PHE   7  -8.922   2.424  10.230
   38    HA   PHE   7           HA       PHE   7  -6.165   1.936   9.954
   39    HB2  PHE   7           2HB      PHE   7  -7.070   3.894  11.198
   40    HB3  PHE   7           3HB      PHE   7  -7.608   2.825  12.491
   41    HD1  PHE   7           HD1      PHE   7  -4.599   4.190  10.774
   42    HD2  PHE   7           HD2      PHE   7  -6.028   2.005  14.164
   43    HE1  PHE   7           HE1      PHE   7  -2.373   4.325  11.811
   44    HE2  PHE   7           HE2      PHE   7  -3.800   2.159  15.195
   45    HZ   PHE   7           HZ       PHE   7  -1.973   3.314  14.019
   46    H    THR   8           H        THR   8  -8.604   0.237  11.856
   47    HA   THR   8           HA       THR   8  -6.805  -1.083  13.609
   48    HB   THR   8           HB       THR   8  -9.670  -1.860  12.922
   49    HG1  THR   8           HG1      THR   8  -8.531   0.123  14.576
   50   HG21  THR   8          3HG2      THR   8  -9.706  -2.856  15.202
   51   HG22  THR   8          1HG2      THR   8  -8.003  -2.447  15.415
   52   HG23  THR   8          2HG2      THR   8  -8.480  -3.635  14.201
   53    H    ARG   9           H        ARG   9  -8.486  -2.140  10.610
   54    HA   ARG   9           HA       ARG   9  -7.222  -4.737  10.579
   55    HB2  ARG   9           2HB      ARG   9  -8.345  -5.123   8.479
   56    HB3  ARG   9           3HB      ARG   9  -9.465  -4.365   9.597
   57    HG2  ARG   9           2HG      ARG   9  -8.863  -2.151   8.404
   58    HG3  ARG   9           3HG      ARG   9  -8.149  -3.181   7.160
   59    HD2  ARG   9           2HD      ARG   9 -11.056  -2.993   8.005
   60    HD3  ARG   9           3HD      ARG   9 -10.354  -2.706   6.416
   61    HE   ARG   9           HE       ARG   9 -10.024  -5.100   6.170
   62   HH11  ARG   9          1HH1      ARG   9 -12.151  -4.171   8.809
   63   HH12  ARG   9          2HH1      ARG   9 -12.896  -5.736   8.906
   64   HH21  ARG   9          1HH2      ARG   9 -11.024  -7.167   6.365
   65   HH22  ARG   9          2HH2      ARG   9 -12.276  -7.396   7.547
   66    H    TYR  10           H        TYR  10  -6.478  -1.580   9.257
   67    HA   TYR  10           HA       TYR  10  -4.422  -2.235   7.432
   68    HB2  TYR  10           2HB      TYR  10  -5.314   0.008   7.460
   69    HB3  TYR  10           3HB      TYR  10  -4.908   0.225   9.155
   70    HD1  TYR  10           HD1      TYR  10  -3.168  -0.495   5.883
   71    HD2  TYR  10           HD2      TYR  10  -3.016   1.540   9.639
   72    HE1  TYR  10           HE1      TYR  10  -1.052   0.573   5.227
   73    HE2  TYR  10           HE2      TYR  10  -0.906   2.611   8.973
   74    HH   TYR  10           HH       TYR  10   0.236   2.610   5.801
   75    H    ALA  11           H        ALA  11  -4.210  -1.326  10.866
   76    HA   ALA  11           HA       ALA  11  -1.424  -1.765  11.178
   77    HB1  ALA  11           3HB      ALA  11  -2.680  -0.264  12.670
   78    HB2  ALA  11           1HB      ALA  11  -1.861  -1.527  13.595
   79    HB3  ALA  11           2HB      ALA  11  -3.598  -1.634  13.294
   80    H    LEU  12           H        LEU  12  -4.291  -3.767  11.534
   81    HA   LEU  12           HA       LEU  12  -3.123  -6.035  12.802
   82    HB2  LEU  12           2HB      LEU  12  -5.562  -5.645  12.752
   83    HB3  LEU  12           3HB      LEU  12  -5.572  -5.817  11.009
   84    HG   LEU  12           HG       LEU  12  -4.896  -8.220  11.259
   85   HD11  LEU  12          1HD1      LEU  12  -5.041  -9.325  13.446
   86   HD12  LEU  12          2HD1      LEU  12  -5.290  -7.768  14.236
   87   HD13  LEU  12          3HD1      LEU  12  -3.759  -8.116  13.427
   88   HD21  LEU  12          3HD2      LEU  12  -7.461  -7.470  12.708
   89   HD22  LEU  12          1HD2      LEU  12  -7.086  -9.048  12.004
   90   HD23  LEU  12          2HD2      LEU  12  -7.264  -7.641  10.960
   91    H    ALA  13           H        ALA  13  -3.517  -5.013   9.445
   92    HA   ALA  13           HA       ALA  13  -2.587  -7.371   8.169
   93    HB1  ALA  13           3HB      ALA  13  -2.398  -5.980   6.156
   94    HB2  ALA  13           1HB      ALA  13  -2.586  -4.519   7.132
   95    HB3  ALA  13           2HB      ALA  13  -3.920  -5.664   6.993
   96    H    GLN  14           H        GLN  14  -0.975  -4.359   9.195
   97    HA   GLN  14           HA       GLN  14   1.657  -4.988   8.413
   98    HB2  GLN  14           2HB      GLN  14   0.764  -3.335  10.814
   99    HB3  GLN  14           3HB      GLN  14   2.371  -3.312  10.083
  100    HG2  GLN  14           2HG      GLN  14   1.308  -2.481   7.961
  101    HG3  GLN  14           3HG      GLN  14  -0.218  -2.349   8.836
  102   HE21  GLN  14          1HE2      GLN  14   1.356  -0.279   7.559
  103   HE22  GLN  14          2HE2      GLN  14   1.710   0.893   8.773
  104    H    GLU  15           H        GLU  15  -0.172  -5.822  11.347
  105    HA   GLU  15           HA       GLU  15   1.936  -7.116  12.744
  106    HB2  GLU  15           2HB      GLU  15  -1.079  -7.460  12.960
  107    HB3  GLU  15           3HB      GLU  15   0.077  -8.236  14.046
  108    HG2  GLU  15           2HG      GLU  15   0.883  -6.032  14.784
  109    HG3  GLU  15           3HG      GLU  15  -0.237  -5.239  13.681
  110    H    HIS  16           H        HIS  16  -0.479  -8.264  10.395
  111    HA   HIS  16           HA       HIS  16   0.216 -10.988  10.415
  112    HB2  HIS  16           2HB      HIS  16  -1.025  -9.285   8.229
  113    HB3  HIS  16           3HB      HIS  16  -0.770 -11.017   8.047
  114    HD1  HIS  16           HD1      HIS  16  -1.792 -12.261  10.493
  115    HD2  HIS  16           HD2      HIS  16  -3.635  -8.913   8.867
  116    HE1  HIS  16           HE1      HIS  16  -4.121 -12.270  11.399
  117    HE2  HIS  16           HE2      HIS  16  -5.275 -10.377  10.225
  118    H    LEU  17           H        LEU  17   1.571  -8.279   8.499
  119    HA   LEU  17           HA       LEU  17   3.252  -9.712   6.804
  120    HB2  LEU  17           2HB      LEU  17   3.474  -6.921   7.962
  121    HB3  LEU  17           3HB      LEU  17   4.672  -7.540   6.836
  122    HG   LEU  17           HG       LEU  17   1.709  -7.188   6.235
  123   HD11  LEU  17          1HD1      LEU  17   2.835  -5.030   6.361
  124   HD12  LEU  17          2HD1      LEU  17   2.424  -5.411   4.691
  125   HD13  LEU  17          3HD1      LEU  17   4.091  -5.589   5.251
  126   HD21  LEU  17          3HD2      LEU  17   3.965  -8.131   4.434
  127   HD22  LEU  17          1HD2      LEU  17   2.318  -7.763   3.912
  128   HD23  LEU  17          2HD2      LEU  17   2.608  -9.099   5.018
  129    H    LYS  18           H        LYS  18   3.981  -8.377  10.028
  130    HA   LYS  18           HA       LYS  18   6.666  -9.415  10.089
  131    HB2  LYS  18           2HB      LYS  18   6.677  -8.573  12.456
  132    HB3  LYS  18           3HB      LYS  18   6.238  -7.361  11.260
  133    HG2  LYS  18           2HG      LYS  18   3.822  -7.768  11.841
  134    HG3  LYS  18           3HG      LYS  18   4.368  -8.806  13.157
  135    HD2  LYS  18           2HD      LYS  18   5.183  -5.882  12.895
  136    HD3  LYS  18           3HD      LYS  18   3.742  -6.396  13.768
  137    HE2  LYS  18           2HE      LYS  18   5.485  -6.048  15.379
  138    HE3  LYS  18           3HE      LYS  18   5.222  -7.785  15.263
  139    HZ1  LYS  18           3HZ      LYS  18   7.566  -7.132  15.352
  140    HZ2  LYS  18           1HZ      LYS  18   7.393  -6.315  13.883
  141    HZ3  LYS  18           2HZ      LYS  18   7.191  -7.992  13.948
  142    H    HIS  19           H        HIS  19   3.544 -10.655  11.067
  143    HA   HIS  19           HA       HIS  19   4.666 -12.959  12.490
  144    HB2  HIS  19           2HB      HIS  19   1.827 -12.169  11.757
  145    HB3  HIS  19           3HB      HIS  19   2.204 -13.730  12.475
  146    HD1  HIS  19           HD1      HIS  19   0.968 -13.357  14.649
  147    HD2  HIS  19           HD2      HIS  19   3.757 -10.372  13.875
  148    HE1  HIS  19           HE1      HIS  19   1.081 -11.978  16.735
  149    HE2  HIS  19           HE2      HIS  19   2.605 -10.067  16.164
  150    H    ASP  20           H        ASP  20   4.834 -12.231   9.381
  151    HA   ASP  20           HA       ASP  20   5.451 -13.398   7.557
  152    HB2  ASP  20           2HB      ASP  20   6.534 -14.989   9.104
  153    HB3  ASP  20           3HB      ASP  20   5.034 -15.889   9.256
  154    H    ASN  21           H        ASN  21   2.422 -13.342   8.749
  155    HA   ASN  21           HA       ASN  21   0.998 -14.938   6.786
  156    HB2  ASN  21           2HB      ASN  21  -0.005 -12.916   8.847
  157    HB3  ASN  21           3HB      ASN  21  -1.035 -13.982   7.899
  158   HD21  ASN  21          1HD2      ASN  21   0.575 -16.351   8.145
  159   HD22  ASN  21          2HD2      ASN  21   0.473 -16.862   9.790
  160    H    ALA  22           H        ALA  22   2.505 -13.484   5.247
  161    HA   ALA  22           HA       ALA  22   1.896 -10.814   4.631
  162    HB1  ALA  22           3HB      ALA  22   3.156 -11.221   2.559
  163    HB2  ALA  22           1HB      ALA  22   3.059 -12.962   2.824
  164    HB3  ALA  22           2HB      ALA  22   3.975 -11.948   3.941
  165    H    SER  23           H        SER  23   0.658 -13.856   3.334
  166    HA   SER  23           HA       SER  23  -1.004 -12.963   1.292
  167    HB2  SER  23           2HB      SER  23  -2.219 -15.155   1.702
  168    HB3  SER  23           3HB      SER  23  -0.468 -15.313   1.559
  169    HG   SER  23           HG       SER  23  -2.051 -15.969   3.621
  170    H    ARG  24           H        ARG  24  -1.786 -13.417   4.782
  171    HA   ARG  24           HA       ARG  24  -4.526 -12.699   4.617
  172    HB2  ARG  24           2HB      ARG  24  -2.549 -12.752   6.933
  173    HB3  ARG  24           3HB      ARG  24  -4.269 -12.442   7.143
  174    HG2  ARG  24           2HG      ARG  24  -3.100 -14.993   5.975
  175    HG3  ARG  24           3HG      ARG  24  -3.633 -14.786   7.651
  176    HD2  ARG  24           2HD      ARG  24  -5.924 -14.274   6.827
  177    HD3  ARG  24           3HD      ARG  24  -5.379 -14.568   5.170
  178    HE   ARG  24           HE       ARG  24  -4.738 -16.891   6.205
  179   HH11  ARG  24          1HH1      ARG  24  -7.697 -15.085   6.802
  180   HH12  ARG  24          2HH1      ARG  24  -8.617 -16.501   7.196
  181   HH21  ARG  24          1HH2      ARG  24  -5.965 -18.732   6.704
  182   HH22  ARG  24          2HH2      ARG  24  -7.640 -18.564   7.134
  183    H    ALA  25           H        ALA  25  -1.580 -10.904   5.313
  184    HA   ALA  25           HA       ALA  25  -2.652  -8.369   5.927
  185    HB1  ALA  25           3HB      ALA  25  -0.318  -8.990   6.365
  186    HB2  ALA  25           1HB      ALA  25  -0.399  -7.533   5.373
  187    HB3  ALA  25           2HB      ALA  25  -0.001  -9.088   4.634
  188    H    LEU  26           H        LEU  26  -1.873  -9.992   2.921
  189    HA   LEU  26           HA       LEU  26  -1.844  -7.822   1.124
  190    HB2  LEU  26           2HB      LEU  26  -0.885 -10.087   0.661
  191    HB3  LEU  26           3HB      LEU  26  -2.509 -10.743   0.576
  192    HG   LEU  26           HG       LEU  26  -2.956  -9.288  -1.425
  193   HD11  LEU  26          1HD1      LEU  26  -1.093  -8.216  -2.605
  194   HD12  LEU  26          2HD1      LEU  26   0.007  -8.635  -1.289
  195   HD13  LEU  26          3HD1      LEU  26  -1.320  -7.504  -1.009
  196   HD21  LEU  26          3HD2      LEU  26  -1.636 -10.628  -3.010
  197   HD22  LEU  26          1HD2      LEU  26  -2.297 -11.634  -1.723
  198   HD23  LEU  26          2HD2      LEU  26  -0.591 -11.174  -1.699
  199    H    ALA  27           H        ALA  27  -4.329 -10.260   1.779
  200    HA   ALA  27           HA       ALA  27  -6.429  -9.257   0.261
  201    HB1  ALA  27           3HB      ALA  27  -7.883 -10.660   1.656
  202    HB2  ALA  27           1HB      ALA  27  -6.605 -10.814   2.862
  203    HB3  ALA  27           2HB      ALA  27  -6.390 -11.510   1.253
  204    H    LEU  28           H        LEU  28  -5.570  -8.465   3.671
  205    HA   LEU  28           HA       LEU  28  -7.774  -6.762   4.189
  206    HB2  LEU  28           2HB      LEU  28  -5.030  -6.930   5.459
  207    HB3  LEU  28           3HB      LEU  28  -6.214  -5.742   5.990
  208    HG   LEU  28           HG       LEU  28  -6.552  -8.771   6.125
  209   HD11  LEU  28          1HD1      LEU  28  -6.468  -8.465   8.565
  210   HD12  LEU  28          2HD1      LEU  28  -6.179  -6.737   8.349
  211   HD13  LEU  28          3HD1      LEU  28  -4.976  -7.908   7.805
  212   HD21  LEU  28          3HD2      LEU  28  -8.661  -8.323   7.326
  213   HD22  LEU  28          1HD2      LEU  28  -8.720  -7.689   5.681
  214   HD23  LEU  28          2HD2      LEU  28  -8.468  -6.591   7.041
  215    H    PHE  29           H        PHE  29  -4.528  -6.003   2.884
  216    HA   PHE  29           HA       PHE  29  -4.848  -3.186   2.833
  217    HB2  PHE  29           2HB      PHE  29  -2.968  -5.019   1.314
  218    HB3  PHE  29           3HB      PHE  29  -2.930  -3.274   1.127
  219    HD1  PHE  29           HD2      PHE  29  -3.146  -2.236   3.850
  220    HD2  PHE  29           HD1      PHE  29  -1.000  -5.654   2.428
  221    HE1  PHE  29           HE2      PHE  29  -1.564  -2.041   5.727
  222    HE2  PHE  29           HE1      PHE  29   0.579  -5.438   4.300
  223    HZ   PHE  29           HZ       PHE  29   0.297  -3.634   5.956
  224    H    GLU  30           H        GLU  30  -5.278  -5.687   0.324
  225    HA   GLU  30           HA       GLU  30  -6.105  -4.054  -1.812
  226    HB2  GLU  30           2HB      GLU  30  -6.802  -6.953  -1.177
  227    HB3  GLU  30           3HB      GLU  30  -7.094  -6.182  -2.732
  228    HG2  GLU  30           2HG      GLU  30  -4.678  -5.854  -3.045
  229    HG3  GLU  30           3HG      GLU  30  -4.364  -6.565  -1.465
  230    H    GLU  31           H        GLU  31  -7.815  -5.323   0.955
  231    HA   GLU  31           HA       GLU  31 -10.473  -4.713   0.049
  232    HB2  GLU  31           2HB      GLU  31  -9.996  -6.539   1.626
  233    HB3  GLU  31           3HB      GLU  31  -9.424  -5.382   2.820
  234    HG2  GLU  31           2HG      GLU  31 -11.634  -4.498   3.140
  235    HG3  GLU  31           3HG      GLU  31 -12.260  -5.392   1.750
  236    H    LEU  32           H        LEU  32  -8.039  -3.115   2.064
  237    HA   LEU  32           HA       LEU  32  -9.538  -0.946   3.025
  238    HB2  LEU  32           2HB      LEU  32  -6.603  -1.265   2.360
  239    HB3  LEU  32           3HB      LEU  32  -7.229   0.232   3.030
  240    HG   LEU  32           HG       LEU  32  -7.554  -2.437   4.446
  241   HD11  LEU  32          1HD1      LEU  32  -5.650  -1.847   5.861
  242   HD12  LEU  32          2HD1      LEU  32  -5.355  -0.406   4.889
  243   HD13  LEU  32          3HD1      LEU  32  -5.150  -2.005   4.175
  244   HD21  LEU  32          3HD2      LEU  32  -7.964  -1.030   6.418
  245   HD22  LEU  32          1HD2      LEU  32  -9.124  -0.690   5.136
  246   HD23  LEU  32          2HD2      LEU  32  -7.786   0.424   5.432
  247    H    VAL  33           H        VAL  33  -7.775  -1.415   0.000
  248    HA   VAL  33           HA       VAL  33  -8.097   1.167  -1.113
  249    HB   VAL  33           HB       VAL  33  -7.622  -1.524  -2.475
  250   HG11  VAL  33          1HG1      VAL  33  -8.563   0.032  -4.128
  251   HG12  VAL  33          2HG1      VAL  33  -6.858  -0.259  -4.470
  252   HG13  VAL  33          3HG1      VAL  33  -7.360   1.250  -3.700
  253   HG21  VAL  33          3HG2      VAL  33  -5.669   0.701  -1.759
  254   HG22  VAL  33          1HG2      VAL  33  -5.255  -0.802  -2.590
  255   HG23  VAL  33          2HG2      VAL  33  -5.825  -0.842  -0.921
  256    H    GLU  34           H        GLU  34  -9.920  -1.880  -1.741
  257    HA   GLU  34           HA       GLU  34 -11.637  -0.826  -3.694
  258    HB2  GLU  34           2HB      GLU  34 -12.927  -2.889  -3.503
  259    HB3  GLU  34           3HB      GLU  34 -11.209  -3.259  -3.372
  260    HG2  GLU  34           2HG      GLU  34 -11.470  -3.349  -0.886
  261    HG3  GLU  34           3HG      GLU  34 -13.202  -3.114  -1.083
  262    H    THR  35           H        THR  35 -12.031  -0.938  -0.140
  263    HA   THR  35           HA       THR  35 -14.761   0.042  -0.225
  264    HB   THR  35           HB       THR  35 -14.592   0.047   2.269
  265    HG1  THR  35           HG1      THR  35 -12.083  -1.186   2.197
  266   HG21  THR  35          3HG2      THR  35 -15.242  -2.068   1.165
  267   HG22  THR  35          1HG2      THR  35 -14.294  -2.388   2.617
  268   HG23  THR  35          2HG2      THR  35 -13.545  -2.531   1.025
  269    H    ASP  36           H        ASP  36 -11.526   1.342   0.395
  270    HA   ASP  36           HA       ASP  36 -12.587   4.082   0.631
  271    HB2  ASP  36           2HB      ASP  36 -12.189   3.006   2.951
  272    HB3  ASP  36           3HB      ASP  36 -10.478   3.015   2.554
  273    HA   PRO  37           HA       PRO  37  -9.018   4.024  -2.297
  274    HB2  PRO  37           2HB      PRO  37 -10.317   6.381  -3.519
  275    HB3  PRO  37           3HB      PRO  37  -9.953   4.812  -4.243
  276    HG2  PRO  37           2HG      PRO  37 -12.497   5.596  -3.694
  277    HG3  PRO  37           3HG      PRO  37 -11.987   3.896  -3.603
  278    HD2  PRO  37           2HD      PRO  37 -12.310   5.898  -1.362
  279    HD3  PRO  37           3HD      PRO  37 -12.861   4.206  -1.443
  280    H    ASP  38           H        ASP  38 -10.091   6.300  -0.006
  281    HA   ASP  38           HA       ASP  38  -8.244   8.469  -0.640
  282    HB2  ASP  38           2HB      ASP  38  -9.979   8.106   1.841
  283    HB3  ASP  38           3HB      ASP  38  -9.214   9.600   1.306
  284    H    TYR  39           H        TYR  39  -8.360   5.651   1.404
  285    HA   TYR  39           HA       TYR  39  -6.520   6.391   3.415
  286    HB2  TYR  39           2HB      TYR  39  -8.203   4.318   3.240
  287    HB3  TYR  39           3HB      TYR  39  -6.802   3.486   2.577
  288    HD1  TYR  39           HD2      TYR  39  -4.747   3.192   4.015
  289    HD2  TYR  39           HD1      TYR  39  -8.358   4.820   5.611
  290    HE1  TYR  39           HE2      TYR  39  -3.926   2.786   6.281
  291    HE2  TYR  39           HE1      TYR  39  -7.517   4.431   7.886
  292    HH   TYR  39           HH       TYR  39  -4.299   3.689   8.543
  293    H    VAL  40           H        VAL  40  -4.665   7.310   2.610
  294    HA   VAL  40           HA       VAL  40  -3.248   6.472   0.298
  295    HB   VAL  40           HB       VAL  40  -2.309   8.276   2.588
  296   HG11  VAL  40          1HG1      VAL  40  -0.736   9.237   0.930
  297   HG12  VAL  40          2HG1      VAL  40  -1.244   8.035  -0.256
  298   HG13  VAL  40          3HG1      VAL  40  -0.412   7.527   1.217
  299   HG21  VAL  40          3HG2      VAL  40  -3.674   9.039  -0.028
  300   HG22  VAL  40          1HG2      VAL  40  -3.057  10.172   1.182
  301   HG23  VAL  40          2HG2      VAL  40  -4.403   9.104   1.576
  302    H    GLY  41           H        GLY  41  -2.770   5.874   3.756
  303    HA2  GLY  41           2HA      GLY  41  -0.108   4.974   3.782
  304    HA3  GLY  41           3HA      GLY  41  -1.325   4.605   4.992
  305    H    THR  42           H        THR  42  -3.087   3.272   3.037
  306    HA   THR  42           HA       THR  42  -2.189   0.611   3.155
  307    HB   THR  42           HB       THR  42  -4.293   1.886   1.348
  308    HG1  THR  42           HG1      THR  42  -5.655   1.400   2.964
  309   HG21  THR  42          3HG2      THR  42  -3.796  -1.058   1.957
  310   HG22  THR  42          1HG2      THR  42  -3.599  -0.272   0.387
  311   HG23  THR  42          2HG2      THR  42  -5.202  -0.418   1.105
  312    H    TYR  43           H        TYR  43  -2.167   2.978   0.461
  313    HA   TYR  43           HA       TYR  43  -1.577   1.186  -1.598
  314    HB2  TYR  43           2HB      TYR  43  -1.131   4.184  -1.398
  315    HB3  TYR  43           3HB      TYR  43  -0.860   3.270  -2.881
  316    HD1  TYR  43           HD1      TYR  43  -2.822   1.976  -3.905
  317    HD2  TYR  43           HD2      TYR  43  -3.373   4.893  -0.821
  318    HE1  TYR  43           HE1      TYR  43  -5.196   2.163  -4.493
  319    HE2  TYR  43           HE2      TYR  43  -5.747   5.067  -1.431
  320    HH   TYR  43           HH       TYR  43  -7.178   4.650  -3.327
  321    H    TYR  44           H        TYR  44   0.658   3.261   0.282
  322    HA   TYR  44           HA       TYR  44   3.044   2.505  -0.833
  323    HB2  TYR  44           2HB      TYR  44   2.625   4.264   0.972
  324    HB3  TYR  44           3HB      TYR  44   2.645   2.959   2.157
  325    HD1  TYR  44           HD2      TYR  44   4.715   4.612  -0.497
  326    HD2  TYR  44           HD1      TYR  44   4.769   2.169   3.016
  327    HE1  TYR  44           HE2      TYR  44   7.166   4.788  -0.403
  328    HE2  TYR  44           HE1      TYR  44   7.221   2.347   3.092
  329    HH   TYR  44           HH       TYR  44   8.960   4.591   1.226
  330    H    HIS  45           H        HIS  45   1.624   1.029   2.100
  331    HA   HIS  45           HA       HIS  45   3.571  -1.014   2.357
  332    HB2  HIS  45           2HB      HIS  45   0.836  -0.708   3.646
  333    HB3  HIS  45           3HB      HIS  45   1.973  -1.982   4.087
  334    HD1  HIS  45           HD1      HIS  45   3.567  -1.410   5.891
  335    HD2  HIS  45           HD2      HIS  45   2.063   1.996   4.063
  336    HE1  HIS  45           HE1      HIS  45   4.472   0.516   7.210
  337    HE2  HIS  45           HE2      HIS  45   3.674   2.562   5.995
  338    H    LEU  46           H        LEU  46   0.544  -0.995   0.651
  339    HA   LEU  46           HA       LEU  46   0.299  -3.823   0.237
  340    HB2  LEU  46           2HB      LEU  46  -1.688  -2.423   0.139
  341    HB3  LEU  46           3HB      LEU  46  -0.994  -1.439  -1.139
  342    HG   LEU  46           HG       LEU  46  -1.192  -3.301  -2.734
  343   HD11  LEU  46          1HD1      LEU  46  -2.393  -4.954  -0.491
  344   HD12  LEU  46          2HD1      LEU  46  -0.818  -5.219  -1.239
  345   HD13  LEU  46          3HD1      LEU  46  -2.286  -5.420  -2.190
  346   HD21  LEU  46          3HD2      LEU  46  -3.780  -2.799  -1.230
  347   HD22  LEU  46          1HD2      LEU  46  -3.652  -3.445  -2.870
  348   HD23  LEU  46          2HD2      LEU  46  -3.106  -1.807  -2.527
  349    H    GLY  47           H        GLY  47   1.641  -1.067  -1.556
  350    HA2  GLY  47           2HA      GLY  47   2.391  -2.491  -3.916
  351    HA3  GLY  47           3HA      GLY  47   2.989  -0.922  -3.393
  352    H    LYS  48           H        LYS  48   4.021  -1.634  -0.894
  353    HA   LYS  48           HA       LYS  48   6.611  -2.551  -1.410
  354    HB2  LYS  48           2HB      LYS  48   5.081  -2.414   1.223
  355    HB3  LYS  48           3HB      LYS  48   6.801  -2.775   1.114
  356    HG2  LYS  48           2HG      LYS  48   5.481  -0.179   0.260
  357    HG3  LYS  48           3HG      LYS  48   6.369  -0.435   1.758
  358    HD2  LYS  48           2HD      LYS  48   7.560  -0.604  -1.043
  359    HD3  LYS  48           3HD      LYS  48   7.683   0.785   0.037
  360    HE2  LYS  48           2HE      LYS  48   9.757  -0.366   0.226
  361    HE3  LYS  48           3HE      LYS  48   8.866  -0.772   1.689
  362    HZ1  LYS  48           3HZ      LYS  48  10.055  -2.629   0.534
  363    HZ2  LYS  48           1HZ      LYS  48   8.903  -2.519  -0.697
  364    HZ3  LYS  48           2HZ      LYS  48   8.428  -2.909   0.875
  365    H    LEU  49           H        LEU  49   3.734  -4.159  -0.212
  366    HA   LEU  49           HA       LEU  49   4.905  -6.697   0.327
  367    HB2  LEU  49           2HB      LEU  49   2.887  -5.953   1.447
  368    HB3  LEU  49           3HB      LEU  49   2.031  -5.825  -0.080
  369    HG   LEU  49           HG       LEU  49   1.911  -8.229  -0.319
  370   HD11  LEU  49          1HD1      LEU  49   3.695  -8.475   2.128
  371   HD12  LEU  49          2HD1      LEU  49   4.114  -8.908   0.470
  372   HD13  LEU  49          3HD1      LEU  49   2.868  -9.812   1.322
  373   HD21  LEU  49          3HD2      LEU  49   1.261  -7.435   2.541
  374   HD22  LEU  49          1HD2      LEU  49   0.614  -8.841   1.691
  375   HD23  LEU  49          2HD2      LEU  49   0.221  -7.219   1.130
  376    H    TYR  50           H        TYR  50   3.139  -5.343  -2.465
  377    HA   TYR  50           HA       TYR  50   3.115  -7.599  -4.126
  378    HB2  TYR  50           2HB      TYR  50   3.171  -4.628  -4.755
  379    HB3  TYR  50           3HB      TYR  50   3.199  -5.817  -6.050
  380    HD1  TYR  50           HD2      TYR  50   1.292  -7.869  -4.937
  381    HD2  TYR  50           HD1      TYR  50   1.027  -3.602  -5.064
  382    HE1  TYR  50           HE2      TYR  50  -1.161  -8.013  -4.949
  383    HE2  TYR  50           HE1      TYR  50  -1.425  -3.764  -5.084
  384    HH   TYR  50           HH       TYR  50  -3.085  -6.632  -4.379
  385    H    GLU  51           H        GLU  51   5.655  -5.162  -3.625
  386    HA   GLU  51           HA       GLU  51   7.517  -6.004  -5.545
  387    HB2  GLU  51           2HB      GLU  51   8.036  -4.742  -2.818
  388    HB3  GLU  51           3HB      GLU  51   9.225  -4.862  -4.116
  389    HG2  GLU  51           2HG      GLU  51   7.874  -3.416  -5.537
  390    HG3  GLU  51           3HG      GLU  51   6.608  -3.353  -4.315
  391    H    ARG  52           H        ARG  52   6.914  -7.156  -2.243
  392    HA   ARG  52           HA       ARG  52   9.120  -8.929  -1.960
  393    HB2  ARG  52           2HB      ARG  52   6.380  -9.249  -0.649
  394    HB3  ARG  52           3HB      ARG  52   7.910  -9.915  -0.077
  395    HG2  ARG  52           2HG      ARG  52   8.718  -7.630   0.419
  396    HG3  ARG  52           3HG      ARG  52   7.199  -6.966  -0.184
  397    HD2  ARG  52           2HD      ARG  52   6.014  -8.328   1.600
  398    HD3  ARG  52           3HD      ARG  52   7.605  -8.699   2.271
  399    HE   ARG  52           HE       ARG  52   7.267  -5.894   1.993
  400   HH11  ARG  52          1HH1      ARG  52   6.200  -8.559   4.016
  401   HH12  ARG  52          2HH1      ARG  52   5.949  -7.556   5.407
  402   HH21  ARG  52          1HH2      ARG  52   6.893  -4.596   3.822
  403   HH22  ARG  52          2HH2      ARG  52   6.319  -5.317   5.291
  404    H    LEU  53           H        LEU  53   5.901  -9.263  -3.330
  405    HA   LEU  53           HA       LEU  53   6.060 -12.141  -3.745
  406    HB2  LEU  53           2HB      LEU  53   3.941 -10.157  -4.648
  407    HB3  LEU  53           3HB      LEU  53   3.767 -11.905  -4.576
  408    HG   LEU  53           HG       LEU  53   4.121 -10.092  -2.153
  409   HD11  LEU  53          1HD1      LEU  53   1.959  -9.681  -3.212
  410   HD12  LEU  53          2HD1      LEU  53   1.754 -10.504  -1.669
  411   HD13  LEU  53          3HD1      LEU  53   1.589 -11.409  -3.176
  412   HD21  LEU  53          3HD2      LEU  53   3.482 -13.062  -2.265
  413   HD22  LEU  53          1HD2      LEU  53   3.525 -12.068  -0.804
  414   HD23  LEU  53          2HD2      LEU  53   5.000 -12.343  -1.725
  415    H    ASP  54           H        ASP  54   7.763  -9.971  -5.345
  416    HA   ASP  54           HA       ASP  54   8.521  -9.485  -7.412
  417    HB2  ASP  54           2HB      ASP  54   7.575 -12.322  -7.877
  418    HB3  ASP  54           3HB      ASP  54   8.222 -11.392  -9.223
  419    H    ARG  55           H        ARG  55   5.549  -9.084  -6.740
  420    HA   ARG  55           HA       ARG  55   4.341  -8.760  -9.383
  421    HB2  ARG  55           2HB      ARG  55   3.204  -8.116  -6.623
  422    HB3  ARG  55           3HB      ARG  55   2.310  -8.043  -8.138
  423    HG2  ARG  55           2HG      ARG  55   3.420 -10.527  -6.791
  424    HG3  ARG  55           3HG      ARG  55   1.721 -10.068  -6.949
  425    HD2  ARG  55           2HD      ARG  55   3.609 -10.859  -9.195
  426    HD3  ARG  55           3HD      ARG  55   2.262 -11.811  -8.569
  427    HE   ARG  55           HE       ARG  55   1.150  -9.426  -9.408
  428   HH11  ARG  55          1HH1      ARG  55   3.002 -11.961 -10.995
  429   HH12  ARG  55          2HH1      ARG  55   2.237 -11.701 -12.530
  430   HH21  ARG  55          1HH2      ARG  55   0.210  -9.086 -11.412
  431   HH22  ARG  55          2HH2      ARG  55   0.645 -10.083 -12.765
  432    H    THR  56           H        THR  56   6.408  -7.334  -9.599
  433    HA   THR  56           HA       THR  56   6.621  -4.815  -8.347
  434    HB   THR  56           HB       THR  56   7.783  -5.731 -11.019
  435    HG1  THR  56           HG1      THR  56   9.091  -6.895  -9.857
  436   HG21  THR  56          3HG2      THR  56   8.706  -3.491  -9.166
  437   HG22  THR  56          1HG2      THR  56   7.958  -3.278 -10.753
  438   HG23  THR  56          2HG2      THR  56   9.544  -4.035 -10.619
  439    H    ASP  57           H        ASP  57   5.082  -5.879 -11.371
  440    HA   ASP  57           HA       ASP  57   4.513  -3.331 -12.489
  441    HB2  ASP  57           2HB      ASP  57   3.010  -5.966 -12.859
  442    HB3  ASP  57           3HB      ASP  57   2.873  -4.556 -13.908
  443    H    ASP  58           H        ASP  58   2.679  -5.509 -10.380
  444    HA   ASP  58           HA       ASP  58   0.313  -4.010 -10.075
  445    HB2  ASP  58           2HB      ASP  58   1.641  -5.980  -8.158
  446    HB3  ASP  58           3HB      ASP  58   0.010  -5.343  -7.942
  447    H    ALA  59           H        ALA  59   3.377  -4.011  -8.289
  448    HA   ALA  59           HA       ALA  59   2.738  -2.293  -6.170
  449    HB1  ALA  59           3HB      ALA  59   5.441  -2.649  -7.516
  450    HB2  ALA  59           1HB      ALA  59   4.794  -3.657  -6.221
  451    HB3  ALA  59           2HB      ALA  59   5.163  -1.959  -5.913
  452    H    ILE  60           H        ILE  60   4.158  -1.571  -9.361
  453    HA   ILE  60           HA       ILE  60   4.515   1.199  -9.131
  454    HB   ILE  60           HB       ILE  60   3.857  -0.350 -11.687
  455   HG12  ILE  60          2HG1      ILE  60   5.811  -1.362 -10.611
  456   HG13  ILE  60          3HG1      ILE  60   6.341  -0.478 -12.031
  457   HG21  ILE  60          1HG2      ILE  60   5.227   2.351 -11.369
  458   HG22  ILE  60          2HG2      ILE  60   3.623   2.060 -12.043
  459   HG23  ILE  60          3HG2      ILE  60   5.052   1.468 -12.889
  460   HD11  ILE  60          3HD1      ILE  60   6.578   0.435  -9.169
  461   HD12  ILE  60          1HD1      ILE  60   7.106   1.341 -10.589
  462   HD13  ILE  60          2HD1      ILE  60   7.871  -0.194 -10.190
  463    H    ASP  61           H        ASP  61   1.727  -0.691 -10.202
  464    HA   ASP  61           HA       ASP  61   0.035   1.446 -11.020
  465    HB2  ASP  61           2HB      ASP  61  -0.284  -0.881 -11.806
  466    HB3  ASP  61           3HB      ASP  61  -0.646  -1.408 -10.168
  467    H    THR  62           H        THR  62   0.445  -0.289  -7.956
  468    HA   THR  62           HA       THR  62  -1.764   0.846  -6.550
  469    HB   THR  62           HB       THR  62   0.772  -0.311  -5.290
  470    HG1  THR  62           HG1      THR  62   0.171  -2.054  -6.313
  471   HG21  THR  62          3HG2      THR  62  -0.732  -0.969  -3.449
  472   HG22  THR  62          1HG2      THR  62  -2.106  -0.250  -4.289
  473   HG23  THR  62          2HG2      THR  62  -0.800   0.778  -3.692
  474    H    TYR  63           H        TYR  63   1.659   1.667  -6.790
  475    HA   TYR  63           HA       TYR  63   1.670   3.842  -4.958
  476    HB2  TYR  63           2HB      TYR  63   3.552   3.226  -7.271
  477    HB3  TYR  63           3HB      TYR  63   3.831   4.495  -6.078
  478    HD1  TYR  63           HD1      TYR  63   3.062   3.102  -3.540
  479    HD2  TYR  63           HD2      TYR  63   5.317   1.685  -6.877
  480    HE1  TYR  63           HE1      TYR  63   4.247   1.529  -2.080
  481    HE2  TYR  63           HE2      TYR  63   6.494   0.110  -5.412
  482    HH   TYR  63           HH       TYR  63   7.015  -0.202  -3.123
  483    H    ALA  64           H        ALA  64   1.210   3.606  -8.489
  484    HA   ALA  64           HA       ALA  64   0.947   6.308  -9.146
  485    HB1  ALA  64           3HB      ALA  64   1.142   4.509 -10.825
  486    HB2  ALA  64           1HB      ALA  64  -0.264   5.529 -11.149
  487    HB3  ALA  64           2HB      ALA  64  -0.474   3.940 -10.408
  488    H    GLN  65           H        GLN  65  -1.506   3.976  -8.074
  489    HA   GLN  65           HA       GLN  65  -3.785   5.640  -8.014
  490    HB2  GLN  65           2HB      GLN  65  -3.033   3.152  -6.432
  491    HB3  GLN  65           3HB      GLN  65  -4.594   3.936  -6.239
  492    HG2  GLN  65           2HG      GLN  65  -3.741   3.147  -9.002
  493    HG3  GLN  65           3HG      GLN  65  -4.259   1.885  -7.891
  494   HE21  GLN  65          1HE2      GLN  65  -5.675   5.146  -7.911
  495   HE22  GLN  65          2HE2      GLN  65  -7.222   4.644  -8.465
  496    H    GLY  66           H        GLY  66  -1.382   4.833  -5.569
  497    HA2  GLY  66           2HA      GLY  66  -2.330   6.257  -3.373
  498    HA3  GLY  66           3HA      GLY  66  -0.654   5.821  -3.666
  499    H    ILE  67           H        ILE  67  -0.197   7.316  -5.995
  500    HA   ILE  67           HA       ILE  67   0.673   9.773  -5.020
  501    HB   ILE  67           HB       ILE  67   0.298   8.674  -7.825
  502   HG12  ILE  67          2HG1      ILE  67   2.858   9.362  -6.306
  503   HG13  ILE  67          3HG1      ILE  67   2.127   7.763  -6.328
  504   HG21  ILE  67          1HG2      ILE  67   1.525  11.391  -7.229
  505   HG22  ILE  67          2HG2      ILE  67   0.022  11.103  -8.103
  506   HG23  ILE  67          3HG2      ILE  67   1.555  10.572  -8.792
  507   HD11  ILE  67          3HD1      ILE  67   3.999   7.942  -7.854
  508   HD12  ILE  67          1HD1      ILE  67   3.190   9.241  -8.727
  509   HD13  ILE  67          2HD1      ILE  67   2.502   7.613  -8.724
  510    H    GLU  68           H        GLU  68  -2.222   8.950  -6.881
  511    HA   GLU  68           HA       GLU  68  -3.205  11.522  -7.466
  512    HB2  GLU  68           2HB      GLU  68  -4.837   8.995  -6.938
  513    HB3  GLU  68           3HB      GLU  68  -5.364  10.411  -7.849
  514    HG2  GLU  68           2HG      GLU  68  -3.636   9.943  -9.557
  515    HG3  GLU  68           3HG      GLU  68  -3.135   8.522  -8.642
  516    H    VAL  69           H        VAL  69  -3.829   9.347  -4.762
  517    HA   VAL  69           HA       VAL  69  -5.600  11.240  -3.421
  518    HB   VAL  69           HB       VAL  69  -5.984   9.466  -1.749
  519   HG11  VAL  69          1HG1      VAL  69  -6.255   8.482  -4.629
  520   HG12  VAL  69          2HG1      VAL  69  -7.384   9.546  -3.784
  521   HG13  VAL  69          3HG1      VAL  69  -7.172   7.885  -3.242
  522   HG21  VAL  69          3HG2      VAL  69  -4.035   7.781  -3.381
  523   HG22  VAL  69          1HG2      VAL  69  -5.046   7.185  -2.060
  524   HG23  VAL  69          2HG2      VAL  69  -3.774   8.365  -1.735
  525    H    ALA  70           H        ALA  70  -2.234  10.494  -3.340
  526    HA   ALA  70           HA       ALA  70  -1.722  11.217  -0.593
  527    HB1  ALA  70           3HB      ALA  70   0.195  10.992  -2.928
  528    HB2  ALA  70           1HB      ALA  70  -0.213   9.708  -1.788
  529    HB3  ALA  70           2HB      ALA  70   0.650  11.141  -1.227
  530    H    ARG  71           H        ARG  71  -1.316  12.787  -3.748
  531    HA   ARG  71           HA       ARG  71  -0.310  15.258  -2.809
  532    HB2  ARG  71           2HB      ARG  71  -0.749  16.099  -5.076
  533    HB3  ARG  71           3HB      ARG  71  -0.021  14.500  -5.143
  534    HG2  ARG  71           2HG      ARG  71  -2.247  13.510  -5.578
  535    HG3  ARG  71           3HG      ARG  71  -2.961  15.120  -5.521
  536    HD2  ARG  71           2HD      ARG  71  -1.474  15.750  -7.459
  537    HD3  ARG  71           3HD      ARG  71  -1.006  14.047  -7.570
  538    HE   ARG  71           HE       ARG  71  -3.726  13.964  -7.619
  539   HH11  ARG  71          1HH1      ARG  71  -1.377  15.722  -9.560
  540   HH12  ARG  71          2HH1      ARG  71  -2.383  15.746 -10.969
  541   HH21  ARG  71          1HH2      ARG  71  -5.017  13.983  -9.484
  542   HH22  ARG  71          2HH2      ARG  71  -4.438  14.756 -10.930
  543    H    GLU  72           H        GLU  72  -3.603  14.091  -3.368
  544    HA   GLU  72           HA       GLU  72  -4.759  16.731  -2.858
  545    HB2  GLU  72           2HB      GLU  72  -5.968  14.096  -3.773
  546    HB3  GLU  72           3HB      GLU  72  -6.911  15.560  -3.498
  547    HG2  GLU  72           2HG      GLU  72  -5.719  16.751  -5.243
  548    HG3  GLU  72           3HG      GLU  72  -4.572  15.431  -5.430
  549    H    GLU  73           H        GLU  73  -5.162  13.419  -1.482
  550    HA   GLU  73           HA       GLU  73  -6.774  14.463   0.724
  551    HB2  GLU  73           2HB      GLU  73  -5.987  11.553   0.306
  552    HB3  GLU  73           3HB      GLU  73  -7.338  12.182   1.245
  553    HG2  GLU  73           2HG      GLU  73  -7.046  12.114  -1.773
  554    HG3  GLU  73           3HG      GLU  73  -8.186  11.206  -0.786
  555    H    GLY  74           H        GLY  74  -3.603  12.867   0.302
  556    HA2  GLY  74           2HA      GLY  74  -3.001  12.946   3.178
  557    HA3  GLY  74           3HA      GLY  74  -2.011  12.233   1.913
  558    H    THR  75           H        THR  75  -0.252  13.416   3.138
  559    HA   THR  75           HA       THR  75  -0.067  16.281   2.375
  560    HB   THR  75           HB       THR  75   1.860  16.429   3.946
  561    HG1  THR  75           HG1      THR  75   1.383  13.672   4.160
  562   HG21  THR  75          3HG2      THR  75   0.614  16.213   6.064
  563   HG22  THR  75          1HG2      THR  75  -0.626  15.254   5.250
  564   HG23  THR  75          2HG2      THR  75  -0.394  16.950   4.818
  565    H    GLN  76           H        GLN  76   2.294  16.961   1.902
  566    HA   GLN  76           HA       GLN  76   3.156  15.912  -0.541
  567    HB2  GLN  76           2HB      GLN  76   3.653  18.197   0.050
  568    HB3  GLN  76           3HB      GLN  76   4.549  17.708   1.480
  569    HG2  GLN  76           2HG      GLN  76   6.111  18.468  -0.173
  570    HG3  GLN  76           3HG      GLN  76   6.303  16.729  -0.006
  571   HE21  GLN  76          1HE2      GLN  76   7.135  18.429  -2.195
  572   HE22  GLN  76          2HE2      GLN  76   6.352  17.842  -3.617
  573    H    LYS  77           H        LYS  77   4.136  15.062   2.743
  574    HA   LYS  77           HA       LYS  77   6.470  13.599   2.263
  575    HB2  LYS  77           2HB      LYS  77   5.723  14.084   4.548
  576    HB3  LYS  77           3HB      LYS  77   4.284  13.093   4.326
  577    HG2  LYS  77           2HG      LYS  77   5.688  11.071   4.129
  578    HG3  LYS  77           3HG      LYS  77   7.142  12.051   4.319
  579    HD2  LYS  77           2HD      LYS  77   4.968  11.898   6.447
  580    HD3  LYS  77           3HD      LYS  77   6.320  10.769   6.390
  581    HE2  LYS  77           2HE      LYS  77   6.853  12.494   7.989
  582    HE3  LYS  77           3HE      LYS  77   7.889  12.717   6.585
  583    HZ1  LYS  77           3HZ      LYS  77   5.422  14.266   7.136
  584    HZ2  LYS  77           1HZ      LYS  77   6.502  14.518   5.862
  585    HZ3  LYS  77           2HZ      LYS  77   6.992  14.794   7.451
  586    H    ASP  78           H        ASP  78   3.082  12.540   2.254
  587    HA   ASP  78           HA       ASP  78   3.492   9.779   1.757
  588    HB2  ASP  78           2HB      ASP  78   1.045  11.509   1.159
  589    HB3  ASP  78           3HB      ASP  78   1.064   9.747   1.120
  590    H    LEU  79           H        LEU  79   2.782  12.539  -0.354
  591    HA   LEU  79           HA       LEU  79   2.561  11.231  -2.812
  592    HB2  LEU  79           2HB      LEU  79   1.928  13.597  -2.444
  593    HB3  LEU  79           3HB      LEU  79   3.620  14.034  -2.244
  594    HG   LEU  79           HG       LEU  79   4.053  13.407  -4.623
  595   HD11  LEU  79          1HD1      LEU  79   2.335  11.699  -4.926
  596   HD12  LEU  79          2HD1      LEU  79   2.180  12.952  -6.154
  597   HD13  LEU  79          3HD1      LEU  79   1.063  12.918  -4.787
  598   HD21  LEU  79          3HD2      LEU  79   1.807  15.421  -4.278
  599   HD22  LEU  79          1HD2      LEU  79   2.884  15.304  -5.673
  600   HD23  LEU  79          2HD2      LEU  79   3.533  15.742  -4.097
  601    H    SER  80           H        SER  80   5.408  12.651  -1.249
  602    HA   SER  80           HA       SER  80   7.297  12.171  -3.274
  603    HB2  SER  80           2HB      SER  80   7.609  13.806  -1.407
  604    HB3  SER  80           3HB      SER  80   7.798  12.467  -0.276
  605    HG   SER  80           HG       SER  80   9.802  12.346  -0.869
  606    H    GLU  81           H        GLU  81   6.270  10.239  -0.485
  607    HA   GLU  81           HA       GLU  81   8.237   8.219  -0.584
  608    HB2  GLU  81           2HB      GLU  81   5.402   8.163   0.531
  609    HB3  GLU  81           3HB      GLU  81   6.578   6.877   0.791
  610    HG2  GLU  81           2HG      GLU  81   7.063   9.744   1.635
  611    HG3  GLU  81           3HG      GLU  81   6.265   8.566   2.671
  612    H    LEU  82           H        LEU  82   4.972   8.358  -1.963
  613    HA   LEU  82           HA       LEU  82   4.962   5.712  -3.030
  614    HB2  LEU  82           2HB      LEU  82   3.217   8.150  -3.487
  615    HB3  LEU  82           3HB      LEU  82   2.876   6.595  -4.236
  616    HG   LEU  82           HG       LEU  82   3.192   6.756  -1.217
  617   HD11  LEU  82          1HD1      LEU  82   0.607   7.335  -2.663
  618   HD12  LEU  82          2HD1      LEU  82   1.547   8.480  -1.709
  619   HD13  LEU  82          3HD1      LEU  82   0.795   7.092  -0.926
  620   HD21  LEU  82          3HD2      LEU  82   1.558   4.919  -2.997
  621   HD22  LEU  82          1HD2      LEU  82   1.710   4.811  -1.241
  622   HD23  LEU  82          2HD2      LEU  82   3.117   4.537  -2.261
  623    H    GLN  83           H        GLN  83   5.702   8.885  -4.426
  624    HA   GLN  83           HA       GLN  83   6.118   8.077  -7.122
  625    HB2  GLN  83           2HB      GLN  83   7.231  10.427  -5.532
  626    HB3  GLN  83           3HB      GLN  83   7.493  10.218  -7.260
  627    HG2  GLN  83           2HG      GLN  83   5.106  10.415  -7.691
  628    HG3  GLN  83           3HG      GLN  83   4.769  10.487  -5.964
  629   HE21  GLN  83          1HE2      GLN  83   6.975  12.274  -5.328
  630   HE22  GLN  83          2HE2      GLN  83   6.551  13.824  -5.951
  631    H    ASP  84           H        ASP  84   8.263   8.327  -4.312
  632    HA   ASP  84           HA       ASP  84  10.697   7.784  -5.707
  633    HB2  ASP  84           2HB      ASP  84  10.615   9.042  -3.564
  634    HB3  ASP  84           3HB      ASP  84  10.083   7.588  -2.729
  635    H    ALA  85           H        ALA  85   8.362   5.830  -3.948
  636    HA   ALA  85           HA       ALA  85   9.873   3.456  -3.736
  637    HB1  ALA  85           3HB      ALA  85   6.860   3.789  -3.665
  638    HB2  ALA  85           1HB      ALA  85   7.944   3.947  -2.283
  639    HB3  ALA  85           2HB      ALA  85   7.767   2.386  -3.091
  640    H    LYS  86           H        LYS  86   7.424   4.524  -6.135
  641    HA   LYS  86           HA       LYS  86   7.524   2.110  -7.634
  642    HB2  LYS  86           2HB      LYS  86   6.301   3.280  -9.405
  643    HB3  LYS  86           3HB      LYS  86   5.583   3.550  -7.824
  644    HG2  LYS  86           2HG      LYS  86   6.543   5.793  -7.724
  645    HG3  LYS  86           3HG      LYS  86   7.358   5.539  -9.270
  646    HD2  LYS  86           2HD      LYS  86   4.348   5.603  -8.819
  647    HD3  LYS  86           3HD      LYS  86   5.320   6.892  -9.536
  648    HE2  LYS  86           2HE      LYS  86   5.962   5.283 -11.369
  649    HE3  LYS  86           3HE      LYS  86   4.807   4.131 -10.692
  650    HZ1  LYS  86           3HZ      LYS  86   3.815   5.340 -12.475
  651    HZ2  LYS  86           1HZ      LYS  86   4.200   6.825 -11.768
  652    HZ3  LYS  86           2HZ      LYS  86   3.069   5.805 -11.036
  653    H    LEU  87           H        LEU  87   9.413   5.161  -7.950
  654    HA   LEU  87           HA       LEU  87  10.487   4.437 -10.503
  655    HB2  LEU  87           2HB      LEU  87  12.024   6.319 -10.295
  656    HB3  LEU  87           3HB      LEU  87  10.384   6.767  -9.887
  657    HG   LEU  87           HG       LEU  87  11.166   6.562  -7.399
  658   HD11  LEU  87          1HD1      LEU  87  13.335   5.494  -7.703
  659   HD12  LEU  87          2HD1      LEU  87  13.542   7.088  -6.981
  660   HD13  LEU  87          3HD1      LEU  87  13.888   6.844  -8.696
  661   HD21  LEU  87          3HD2      LEU  87  11.959   8.889  -7.386
  662   HD22  LEU  87          1HD2      LEU  87  10.558   8.680  -8.436
  663   HD23  LEU  87          2HD2      LEU  87  12.172   8.829  -9.138
  664    H    LYS  88           H        LYS  88  11.641   3.886  -7.166
  665    HA   LYS  88           HA       LYS  88  14.073   2.645  -8.049
  666    HB2  LYS  88           2HB      LYS  88  14.414   1.946  -5.710
  667    HB3  LYS  88           3HB      LYS  88  14.048   3.651  -5.861
  668    HG2  LYS  88           2HG      LYS  88  12.889   3.047  -3.950
  669    HG3  LYS  88           3HG      LYS  88  11.632   3.004  -5.186
  670    HD2  LYS  88           2HD      LYS  88  11.813   0.556  -5.306
  671    HD3  LYS  88           3HD      LYS  88  13.129   0.575  -4.128
  672    HE2  LYS  88           2HE      LYS  88  11.603   1.446  -2.417
  673    HE3  LYS  88           3HE      LYS  88  10.294   1.527  -3.595
  674    HZ1  LYS  88           3HZ      LYS  88  10.066  -0.417  -2.267
  675    HZ2  LYS  88           1HZ      LYS  88  11.637  -0.924  -2.624
  676    HZ3  LYS  88           2HZ      LYS  88  10.459  -0.885  -3.838
  677    H    ALA  89           H        ALA  89  10.818   1.412  -7.311
  678    HA   ALA  89           HA       ALA  89  11.349  -1.328  -7.366
  679    HB1  ALA  89           3HB      ALA  89   8.948  -1.603  -7.830
  680    HB2  ALA  89           1HB      ALA  89   8.829   0.112  -8.241
  681    HB3  ALA  89           2HB      ALA  89   9.222  -0.375  -6.594
  682    H    GLU  90           H        GLU  90  10.934   0.938 -10.045
  683    HA   GLU  90           HA       GLU  90  10.866  -0.727 -12.255
  684    HB2  GLU  90           2HB      GLU  90  12.381   1.884 -11.863
  685    HB3  GLU  90           3HB      GLU  90  12.161   1.126 -13.437
  686    HG2  GLU  90           2HG      GLU  90   9.870   2.015 -11.648
  687    HG3  GLU  90           3HG      GLU  90  10.565   3.007 -12.930
  688    H    GLY  91           H        GLY  91  13.514  -0.303 -10.025
  689    HA2  GLY  91           2HA      GLY  91  15.536  -1.545 -11.708
  690    HA3  GLY  91           3HA      GLY  91  15.731  -0.986 -10.059
  691    H    LEU  92           H        LEU  92  13.080  -2.779  -9.649
  692    HA   LEU  92           HA       LEU  92  14.388  -5.025  -8.477
  693    HB2  LEU  92           2HB      LEU  92  11.466  -4.525  -9.161
  694    HB3  LEU  92           3HB      LEU  92  12.006  -5.976  -8.328
  695    HG   LEU  92           HG       LEU  92  12.352  -3.149  -7.252
  696   HD11  LEU  92          1HD1      LEU  92   9.984  -3.750  -7.328
  697   HD12  LEU  92          2HD1      LEU  92  10.558  -3.717  -5.661
  698   HD13  LEU  92          3HD1      LEU  92  10.318  -5.264  -6.480
  699   HD21  LEU  92          3HD2      LEU  92  12.960  -4.274  -5.134
  700   HD22  LEU  92          1HD2      LEU  92  14.084  -4.690  -6.426
  701   HD23  LEU  92          2HD2      LEU  92  12.846  -5.845  -5.927
  702    H    GLU  93           H        GLU  93  12.322  -4.714 -11.323
  703    HA   GLU  93           HA       GLU  93  13.942  -6.592 -12.811
  704    HB2  GLU  93           2HB      GLU  93  12.082  -7.999 -13.524
  705    HB3  GLU  93           3HB      GLU  93  12.157  -8.020 -11.774
  706    HG2  GLU  93           2HG      GLU  93   9.939  -7.642 -11.818
  707    HG3  GLU  93           3HG      GLU  93  10.341  -5.983 -12.223
  708    H    HIS  94           H        HIS  94  13.998  -6.067 -14.918
  709    HA   HIS  94           HA       HIS  94  12.383  -4.848 -16.688
  710    HB2  HIS  94           2HB      HIS  94  13.572  -2.745 -14.883
  711    HB3  HIS  94           3HB      HIS  94  13.695  -2.406 -16.602
  712    HD1  HIS  94           HD1      HIS  94  10.574  -4.133 -15.433
  713    HD2  HIS  94           HD2      HIS  94  11.886  -0.261 -16.177
  714    HE1  HIS  94           HE1      HIS  94   8.501  -2.726 -15.554
  715    HE2  HIS  94           HE2      HIS  94   9.359  -0.366 -15.704
  716    H    HIS  95           H        HIS  95  13.972  -3.401 -18.327
  717    HA   HIS  95           HA       HIS  95  16.084  -5.276 -19.028
  718    HB2  HIS  95           2HB      HIS  95  15.306  -2.679 -20.420
  719    HB3  HIS  95           3HB      HIS  95  16.327  -3.955 -21.083
  720    HD1  HIS  95           HD1      HIS  95  12.984  -2.756 -21.254
  721    HD2  HIS  95           HD2      HIS  95  14.699  -6.542 -21.184
  722    HE1  HIS  95           HE1      HIS  95  11.246  -4.301 -22.193
  723    HE2  HIS  95           HE2      HIS  95  12.272  -6.593 -22.078
  724    H    HIS  96           H        HIS  96  17.278  -4.868 -17.033
  725    HA   HIS  96           HA       HIS  96  18.578  -2.322 -16.559
  726    HB2  HIS  96           2HB      HIS  96  19.805  -3.614 -14.730
  727    HB3  HIS  96           3HB      HIS  96  18.054  -3.598 -14.598
  728    HD1  HIS  96           HD1      HIS  96  16.815  -5.830 -14.827
  729    HD2  HIS  96           HD2      HIS  96  20.929  -6.197 -15.306
  730    HE1  HIS  96           HE1      HIS  96  17.294  -8.292 -14.731
  731    HE2  HIS  96           HE2      HIS  96  19.753  -8.492 -15.162
  732    H    HIS  97           H        HIS  97  19.263  -5.050 -18.491
  733    HA   HIS  97           HA       HIS  97  22.093  -4.281 -18.888
  734    HB2  HIS  97           2HB      HIS  97  21.621  -6.666 -18.272
  735    HB3  HIS  97           3HB      HIS  97  20.604  -6.829 -19.694
  736    HD1  HIS  97           HD1      HIS  97  21.803  -8.242 -21.314
  737    HD2  HIS  97           HD2      HIS  97  24.405  -5.622 -19.414
  738    HE1  HIS  97           HE1      HIS  97  24.036  -8.623 -22.382
  739    HE2  HIS  97           HE2      HIS  97  25.524  -6.870 -21.379
  740    H    HIS  98           H        HIS  98  20.027  -2.596 -19.822
  741    HA   HIS  98           HA       HIS  98  19.381  -3.025 -22.570
  742    HB2  HIS  98           2HB      HIS  98  18.537  -0.689 -22.522
  743    HB3  HIS  98           3HB      HIS  98  17.950  -1.633 -21.164
  744    HD1  HIS  98           HD1      HIS  98  18.127  -0.495 -18.955
  745    HD2  HIS  98           HD2      HIS  98  20.771   1.122 -21.715
  746    HE1  HIS  98           HE1      HIS  98  19.180   1.465 -17.806
  747    HE2  HIS  98           HE2      HIS  98  20.591   2.551 -19.579
  748    H    HIS  99           H        HIS  99  19.904  -0.722 -23.958
  749    HA   HIS  99           HA       HIS  99  22.428  -1.080 -25.067
  750    HB2  HIS  99           2HB      HIS  99  20.576   0.067 -26.235
  751    HB3  HIS  99           3HB      HIS  99  20.695   1.429 -25.131
  752    HD1  HIS  99           HD1      HIS  99  22.845   2.964 -25.376
  753    HD2  HIS  99           HD2      HIS  99  22.362   0.123 -28.368
  754    HE1  HIS  99           HE1      HIS  99  24.376   3.677 -27.231
  755    HE2  HIS  99           HE2      HIS  99  23.955   2.031 -29.082