*HEADER    TRANSCRIPTION                           22-FEB-11   2L9R              
*TITLE     SOLUTION NMR STRUCTURE OF HOMEOBOX DOMAIN OF HOMEOBOX PROTEIN NKX-3.1 
*TITLE    2 FROM HOMO SAPIENS, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET   
*TITLE    3 HR6470A                                                              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: HOMEOBOX PROTEIN NKX-3.1;                                  
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: DNA BINDING HOMEOBOX RESIDUES 132-189;                     
*COMPND   5 SYNONYM: HOMEOBOX PROTEIN NK-3 HOMOLOG A;                            
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 GENE: NKX3-1, NKX3.1, NKX3A;                                         
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR: PET 14-15C                                 
*KEYWDS    STRUCTURAL GENOMICS, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM, NESG,  
*KEYWDS   2 PSI-BIOLOGY, TRANSCRIPTION FACTOR, TRANSCRIPTION, METHODS            
*KEYWDS   3 DEVELOPMENT                                                          
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    G.LIU, R.XIAO, H.-W.LEE, K.HAMILTON, C.CICCOSANTI, H.B.WANG,          
*AUTHOR   2 T.B.ACTON, J.K.EVERETT, Y.J.HUANG, G.T.MONTELIONE, NORTHEAST         
*AUTHOR   3 STRUCTURAL GENOMICS CONSORTIUM (NESG)                                
*REVDAT   1   20-APR-11 2L9R    0                                                


!
! ACO file produced by PDBStat
! Version:  5.1-Exp Compiled 2008-08-11 on (europa)
!
 dihedral
   assign (resid  12 and name C   )   (resid  13 and name N   )
          (resid  13 and name CA  )   (resid  13 and name C   )   1.0    -60.00    20.00   2 
   assign (resid  13 and name N   )   (resid  13 and name CA  )
          (resid  13 and name C   )   (resid  14 and name N   )   1.0    -40.80    20.00   2 
   assign (resid  13 and name C   )   (resid  14 and name N   )
          (resid  14 and name CA  )   (resid  14 and name C   )   1.0    -66.20    20.00   2 
   assign (resid  14 and name N   )   (resid  14 and name CA  )
          (resid  14 and name C   )   (resid  15 and name N   )   1.0    -39.80    20.00   2 
   assign (resid  14 and name C   )   (resid  15 and name N   )
          (resid  15 and name CA  )   (resid  15 and name C   )   1.0    -63.50    20.00   2 
   assign (resid  15 and name N   )   (resid  15 and name CA  )
          (resid  15 and name C   )   (resid  16 and name N   )   1.0    -42.40    20.00   2 
   assign (resid  15 and name C   )   (resid  16 and name N   )
          (resid  16 and name CA  )   (resid  16 and name C   )   1.0    -64.40    20.00   2 
   assign (resid  16 and name N   )   (resid  16 and name CA  )
          (resid  16 and name C   )   (resid  17 and name N   )   1.0    -44.00    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    -61.00    20.00   2 
   assign (resid  17 and name N   )   (resid  17 and name CA  )
          (resid  17 and name C   )   (resid  18 and name N   )   1.0    -42.00    20.00   2 
   assign (resid  17 and name C   )   (resid  18 and name N   )
          (resid  18 and name CA  )   (resid  18 and name C   )   1.0    -63.90    20.00   2 
   assign (resid  18 and name N   )   (resid  18 and name CA  )
          (resid  18 and name C   )   (resid  19 and name N   )   1.0    -42.10    20.00   2 
   assign (resid  18 and name C   )   (resid  19 and name N   )
          (resid  19 and name CA  )   (resid  19 and name C   )   1.0    -65.50    20.00   2 
   assign (resid  19 and name N   )   (resid  19 and name CA  )
          (resid  19 and name C   )   (resid  20 and name N   )   1.0    -39.80    20.00   2 
   assign (resid  19 and name C   )   (resid  20 and name N   )
          (resid  20 and name CA  )   (resid  20 and name C   )   1.0    -61.20    20.00   2 
   assign (resid  20 and name N   )   (resid  20 and name CA  )
          (resid  20 and name C   )   (resid  21 and name N   )   1.0    -42.80    20.00   2 
   assign (resid  20 and name C   )   (resid  21 and name N   )
          (resid  21 and name CA  )   (resid  21 and name C   )   1.0    -62.60    20.00   2 
   assign (resid  21 and name N   )   (resid  21 and name CA  )
          (resid  21 and name C   )   (resid  22 and name N   )   1.0    -43.70    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    -66.60    20.00   2 
   assign (resid  22 and name N   )   (resid  22 and name CA  )
          (resid  22 and name C   )   (resid  23 and name N   )   1.0    -34.90    20.00   2 
   assign (resid  22 and name C   )   (resid  23 and name N   )
          (resid  23 and name CA  )   (resid  23 and name C   )   1.0    -62.00    20.00   2 
   assign (resid  23 and name N   )   (resid  23 and name CA  )
          (resid  23 and name C   )   (resid  24 and name N   )   1.0    -38.40    22.60   2 
   assign (resid  23 and name C   )   (resid  24 and name N   )
          (resid  24 and name CA  )   (resid  24 and name C   )   1.0    -67.10    20.70   2 
   assign (resid  24 and name N   )   (resid  24 and name CA  )
          (resid  24 and name C   )   (resid  25 and name N   )   1.0    -28.55    41.25   2 
   assign (resid  32 and name C   )   (resid  33 and name N   )
          (resid  33 and name CA  )   (resid  33 and name C   )   1.0    -72.65    26.45   2 
   assign (resid  33 and name N   )   (resid  33 and name CA  )
          (resid  33 and name C   )   (resid  34 and name N   )   1.0    -30.20    38.50   2 
   assign (resid  33 and name C   )   (resid  34 and name N   )
          (resid  34 and name CA  )   (resid  34 and name C   )   1.0    -60.60    20.00   2 
   assign (resid  34 and name N   )   (resid  34 and name CA  )
          (resid  34 and name C   )   (resid  35 and name N   )   1.0    -45.60    20.00   2 
   assign (resid  34 and name C   )   (resid  35 and name N   )
          (resid  35 and name CA  )   (resid  35 and name C   )   1.0    -63.50    20.00   2 
   assign (resid  35 and name N   )   (resid  35 and name CA  )
          (resid  35 and name C   )   (resid  36 and name N   )   1.0    -41.50    20.00   2 
   assign (resid  35 and name C   )   (resid  36 and name N   )
          (resid  36 and name CA  )   (resid  36 and name C   )   1.0    -66.90    20.00   2 
   assign (resid  36 and name N   )   (resid  36 and name CA  )
          (resid  36 and name C   )   (resid  37 and name N   )   1.0    -41.20    20.00   2 
   assign (resid  36 and name C   )   (resid  37 and name N   )
          (resid  37 and name CA  )   (resid  37 and name C   )   1.0    -61.50    20.00   2 
   assign (resid  37 and name N   )   (resid  37 and name CA  )
          (resid  37 and name C   )   (resid  38 and name N   )   1.0    -43.30    20.00   2 
   assign (resid  37 and name C   )   (resid  38 and name N   )
          (resid  38 and name CA  )   (resid  38 and name C   )   1.0    -61.80    20.00   2 
   assign (resid  38 and name N   )   (resid  38 and name CA  )
          (resid  38 and name C   )   (resid  39 and name N   )   1.0    -39.95    21.75   2 
   assign (resid  38 and name C   )   (resid  39 and name N   )
          (resid  39 and name CA  )   (resid  39 and name C   )   1.0    -61.30    20.00   2 
   assign (resid  39 and name N   )   (resid  39 and name CA  )
          (resid  39 and name C   )   (resid  40 and name N   )   1.0    -45.30    20.00   2 
   assign (resid  39 and name C   )   (resid  40 and name N   )
          (resid  40 and name CA  )   (resid  40 and name C   )   1.0    -65.20    20.00   2 
   assign (resid  40 and name N   )   (resid  40 and name CA  )
          (resid  40 and name C   )   (resid  41 and name N   )   1.0    -37.60    20.00   2 
   assign (resid  40 and name C   )   (resid  41 and name N   )
          (resid  41 and name CA  )   (resid  41 and name C   )   1.0    -93.40    20.00   2 
   assign (resid  41 and name N   )   (resid  41 and name CA  )
          (resid  41 and name C   )   (resid  42 and name N   )   1.0      5.40    20.10   2 
   assign (resid  44 and name C   )   (resid  45 and name N   )
          (resid  45 and name CA  )   (resid  45 and name C   )   1.0    -62.70    20.00   2 
   assign (resid  45 and name N   )   (resid  45 and name CA  )
          (resid  45 and name C   )   (resid  46 and name N   )   1.0    -36.60    20.00   2 
   assign (resid  45 and name C   )   (resid  46 and name N   )
          (resid  46 and name CA  )   (resid  46 and name C   )   1.0    -64.60    20.00   2 
   assign (resid  46 and name N   )   (resid  46 and name CA  )
          (resid  46 and name C   )   (resid  47 and name N   )   1.0    -43.50    20.00   2 
   assign (resid  46 and name C   )   (resid  47 and name N   )
          (resid  47 and name CA  )   (resid  47 and name C   )   1.0    -58.90    20.00   2 
   assign (resid  47 and name N   )   (resid  47 and name CA  )
          (resid  47 and name C   )   (resid  48 and name N   )   1.0    -43.80    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    -64.80    20.00   2 
   assign (resid  48 and name N   )   (resid  48 and name CA  )
          (resid  48 and name C   )   (resid  49 and name N   )   1.0    -45.20    20.00   2 
   assign (resid  48 and name C   )   (resid  49 and name N   )
          (resid  49 and name CA  )   (resid  49 and name C   )   1.0    -61.60    20.00   2 
   assign (resid  49 and name N   )   (resid  49 and name CA  )
          (resid  49 and name C   )   (resid  50 and name N   )   1.0    -45.70    20.00   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    20.00   2 
   assign (resid  50 and name N   )   (resid  50 and name CA  )
          (resid  50 and name C   )   (resid  51 and name N   )   1.0    -42.70    20.00   2 
   assign (resid  50 and name C   )   (resid  51 and name N   )
          (resid  51 and name CA  )   (resid  51 and name C   )   1.0    -61.00    20.00   2 
   assign (resid  51 and name N   )   (resid  51 and name CA  )
          (resid  51 and name C   )   (resid  52 and name N   )   1.0    -40.50    20.00   2 
   assign (resid  51 and name C   )   (resid  52 and name N   )
          (resid  52 and name CA  )   (resid  52 and name C   )   1.0    -60.50    20.00   2 
   assign (resid  52 and name N   )   (resid  52 and name CA  )
          (resid  52 and name C   )   (resid  53 and name N   )   1.0    -47.00    20.00   2 
   assign (resid  52 and name C   )   (resid  53 and name N   )
          (resid  53 and name CA  )   (resid  53 and name C   )   1.0    -59.90    20.00   2 
   assign (resid  53 and name N   )   (resid  53 and name CA  )
          (resid  53 and name C   )   (resid  54 and name N   )   1.0    -42.45    21.45   2 
   assign (resid  53 and name C   )   (resid  54 and name N   )
          (resid  54 and name CA  )   (resid  54 and name C   )   1.0    -64.90    20.00   2 
   assign (resid  54 and name N   )   (resid  54 and name CA  )
          (resid  54 and name C   )   (resid  55 and name N   )   1.0    -39.35    24.65   2 
   assign (resid  54 and name C   )   (resid  55 and name N   )
          (resid  55 and name CA  )   (resid  55 and name C   )   1.0    -64.70    20.00   2 
   assign (resid  55 and name N   )   (resid  55 and name CA  )
          (resid  55 and name C   )   (resid  56 and name N   )   1.0    -37.80    20.00   2 
   assign (resid  55 and name C   )   (resid  56 and name N   )
          (resid  56 and name CA  )   (resid  56 and name C   )   1.0    -60.80    20.00   2 
   assign (resid  56 and name N   )   (resid  56 and name CA  )
          (resid  56 and name C   )   (resid  57 and name N   )   1.0    -40.40    20.00   2 
   assign (resid  56 and name C   )   (resid  57 and name N   )
          (resid  57 and name CA  )   (resid  57 and name C   )   1.0    -67.30    20.00   2 
   assign (resid  57 and name N   )   (resid  57 and name CA  )
          (resid  57 and name C   )   (resid  58 and name N   )   1.0    -36.00    31.30   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    20.00   2 
   assign (resid  58 and name N   )   (resid  58 and name CA  )
          (resid  58 and name C   )   (resid  59 and name N   )   1.0    -36.45    27.55   2 
 end

 assign ((resid  10 and name HB1  ))   ( (resid  11 and name HN   ))     5.23  3.43  0.52
 assign ((resid  11 and name HN   ))   ( (resid  11 and name HG1  ))     4.84  3.04  0.48
 assign ((resid  11 and name HB1  ))   ( (resid  12 and name HN   ))     4.09  2.29  0.41
 assign ((resid  13 and name HB2  ))   ( (resid  14 and name HN   ))     3.95  2.15  0.40
 assign ((resid  13 and name HB1  ))   ( (resid  14 and name HN   ))     3.95  2.15  0.40
 assign ((resid  14 and name HG2* ))   ( (resid  15 and name HN   ))     4.47  2.67  0.45
 assign ((resid  15 and name HN   ))   ( (resid  16 and name HN   ))     3.44  1.64  0.34
 assign ((resid  15 and name HB1  ))   ( (resid  16 and name HN   ))     4.05  2.25  0.41
 assign ((resid  15 and name HB2  ))   ( (resid  16 and name HN   ))     4.28  2.48  0.43
 assign ((resid  16 and name HB   ))   ( (resid  17 and name HN   ))     3.31  1.51  0.33
 assign ((resid  16 and name HG1* ))   ( (resid  17 and name HN   ))     3.62  1.82  0.36
 assign ((resid  17 and name HB   ))   ( (resid  18 and name HN   ))     3.72  1.92  0.37
 assign ((resid  17 and name HG2* ))   ( (resid  18 and name HN   ))     4.03  2.23  0.40
 assign ((resid  17 and name HD1* ))   ( (resid  18 and name HN   ))     4.83  3.03  0.48
 assign ((resid  18 and name HN   ))   ( (resid  19 and name HN   ))     3.45  1.65  0.34
 assign ((resid  18 and name HB2  ))   ( (resid  19 and name HN   ))     3.64  1.84  0.36
 assign ((resid  18 and name HG2  ))   ( (resid  19 and name HN   ))     5.19  3.39  0.52
 assign ((resid  19 and name HN   ))   ( (resid  20 and name HN   ))     3.45  1.65  0.34
 assign ((resid  19 and name HB2  ))   ( (resid  20 and name HN   ))     3.73  1.93  0.37
 assign ((resid  19 and name HB1  ))   ( (resid  20 and name HN   ))     4.41  2.61  0.44
 assign ((resid  19 and name HG   ))   ( (resid  20 and name HN   ))     4.89  3.09  0.49
 assign ((resid  19 and name HD1* ))   ( (resid  20 and name HN   ))     4.77  2.97  0.48
 assign ((resid  20 and name HN   ))   ( (resid  21 and name HN   ))     3.37  1.57  0.34
 assign ((resid  20 and name HB2  ))   ( (resid  21 and name HN   ))     3.77  1.97  0.38
 assign ((resid  20 and name HB1  ))   ( (resid  21 and name HN   ))     3.77  1.97  0.38
 assign ((resid  20 and name HG2  ))   ( (resid  21 and name HN   ))     5.00  3.20  0.50
 assign ((resid  20 and name HG1  ))   ( (resid  21 and name HN   ))     5.00  3.20  0.50
 assign ((resid  21 and name HG2  ))   ( (resid  22 and name HN   ))     5.13  3.33  0.51
 assign ((resid  21 and name HG1  ))   ( (resid  22 and name HN   ))     5.13  3.33  0.51
 assign ((resid  22 and name HB2  ))   ( (resid  23 and name HN   ))     4.46  2.66  0.45
 assign ((resid  22 and name HB1  ))   ( (resid  23 and name HN   ))     4.46  2.66  0.45
 assign ((resid  23 and name HN   ))   ( (resid  24 and name HN   ))     3.94  2.14  0.39
 assign ((resid  23 and name HB2  ))   ( (resid  24 and name HN   ))     4.40  2.60  0.44
 assign ((resid  23 and name HB1  ))   ( (resid  24 and name HN   ))     4.40  2.60  0.44
 assign ((resid  25 and name HN   ))   ( (resid  26 and name HN   ))     3.28  1.48  0.33
 assign ((resid  25 and name HB2  ))   ( (resid  26 and name HN   ))     4.08  2.28  0.41
 assign ((resid  25 and name HB1  ))   ( (resid  26 and name HN   ))     4.08  2.28  0.41
 assign ((resid  26 and name HN   ))   ( (resid  27 and name HN   ))     4.64  2.84  0.46
 assign ((resid  26 and name HA   ))   ( (resid  27 and name HN   ))     2.84  1.04  0.28
 assign ((resid  26 and name HB2  ))   ( (resid  27 and name HN   ))     3.77  1.97  0.38
 assign ((resid  26 and name HG1  ))   ( (resid  27 and name HN   ))     4.17  2.37  0.42
 assign ((resid  28 and name HN   ))   ( (resid  29 and name HN   ))     5.19  3.39  0.52
 assign ((resid  29 and name HN   ))   ( (resid  52 and name HE*  ))     5.89  4.09  0.59
 assign ((resid  28 and name HA   ))   ( (resid  29 and name HN   ))     3.27  1.47  0.33
 assign ((resid  28 and name HB2  ))   ( (resid  29 and name HN   ))     4.38  2.58  0.44
 assign ((resid  28 and name HB1  ))   ( (resid  29 and name HN   ))     4.38  2.58  0.44
 assign ((resid  28 and name HD*  ))   ( (resid  29 and name HN   ))     4.85  3.05  0.48
 assign ((resid  29 and name HA   ))   ( (resid  30 and name HN   ))     3.04  1.24  0.30
 assign ((resid  29 and name HB1  ))   ( (resid  30 and name HN   ))     3.92  2.12  0.39
 assign ((resid  29 and name HB2  ))   ( (resid  30 and name HN   ))     4.32  2.52  0.43
 assign ((resid  29 and name HD2* ))   ( (resid  30 and name HN   ))     4.05  2.25  0.41
 assign ((resid  30 and name HB2  ))   ( (resid  31 and name HN   ))     4.39  2.59  0.44
 assign ((resid  30 and name HB1  ))   ( (resid  31 and name HN   ))     4.39  2.59  0.44
 assign ((resid  32 and name HG2  ))   ( (resid  33 and name HN   ))     4.84  3.04  0.48
 assign ((resid  32 and name HG1  ))   ( (resid  33 and name HN   ))     4.84  3.04  0.48
 assign ((resid  32 and name HD1  ))   ( (resid  33 and name HN   ))     4.30  2.50  0.43
 assign ((resid  33 and name HN   ))   ( (resid  34 and name HN   ))     3.33  1.53  0.33
 assign ((resid  34 and name HN   ))   ( (resid  34 and name HB2  ))     3.06  1.26  0.31
 assign ((resid  33 and name HB2  ))   ( (resid  34 and name HN   ))     3.46  1.66  0.35
 assign ((resid  34 and name HN   ))   ( (resid  35 and name HN   ))     3.18  1.38  0.32
 assign ((resid  34 and name HB1  ))   ( (resid  35 and name HN   ))     3.37  1.57  0.34
 assign ((resid  34 and name HB2  ))   ( (resid  35 and name HN   ))     4.05  2.25  0.41
 assign ((resid  34 and name HG2  ))   ( (resid  35 and name HN   ))     4.17  2.37  0.42
 assign ((resid  34 and name HG1  ))   ( (resid  35 and name HN   ))     4.64  2.84  0.46
 assign ((resid  35 and name HN   ))   ( (resid  36 and name HN   ))     3.26  1.46  0.33
 assign ((resid  35 and name HB*  ))   ( (resid  36 and name HN   ))     3.03  1.23  0.30
 assign ((resid  37 and name HB2  ))   ( (resid  38 and name HN   ))     3.93  2.13  0.39
 assign ((resid  37 and name HB1  ))   ( (resid  38 and name HN   ))     3.29  1.49  0.33
 assign ((resid  37 and name HG   ))   ( (resid  38 and name HN   ))     4.23  2.43  0.42
 assign ((resid  38 and name HN   ))   ( (resid  39 and name HG2  ))     4.75  2.95  0.47
 assign ((resid  37 and name HD2* ))   ( (resid  38 and name HN   ))     4.48  2.68  0.45
 assign ((resid  38 and name HN   ))   ( (resid  48 and name HG2* ))     3.59  1.79  0.36
 assign ((resid  38 and name HB*  ))   ( (resid  39 and name HN   ))     3.00  1.20  0.30
 assign ((resid  39 and name HG1  ))   ( (resid  40 and name HN   ))     4.36  2.56  0.44
 assign ((resid  39 and name HG2  ))   ( (resid  40 and name HN   ))     4.46  2.66  0.45
 assign ((resid  40 and name HN   ))   ( (resid  41 and name HN   ))     2.62  0.82  0.26
 assign ((resid  41 and name HN   ))   ( (resid  42 and name HN   ))     3.15  1.35  0.32
 assign ((resid  41 and name HB2  ))   ( (resid  42 and name HN   ))     4.21  2.41  0.42
 assign ((resid  41 and name HB1  ))   ( (resid  42 and name HN   ))     4.56  2.76  0.46
 assign ((resid  41 and name HD2* ))   ( (resid  42 and name HN   ))     4.59  2.79  0.46
 assign ((resid  41 and name HD1* ))   ( (resid  42 and name HN   ))     5.53  3.73  0.55
 assign ((resid  42 and name HA   ))   ( (resid  43 and name HN   ))     3.06  1.26  0.31
 assign ((resid  42 and name HB1  ))   ( (resid  43 and name HN   ))     4.74  2.94  0.47
 assign ((resid  38 and name HB*  ))   ( (resid  43 and name HN   ))     3.77  1.97  0.38
 assign ((resid  43 and name HA   ))   ( (resid  44 and name HN   ))     3.46  1.66  0.35
 assign ((resid  43 and name HB2  ))   ( (resid  44 and name HN   ))     4.18  2.38  0.42
 assign ((resid  43 and name HB1  ))   ( (resid  44 and name HN   ))     3.46  1.66  0.35
 assign ((resid  43 and name HG   ))   ( (resid  44 and name HN   ))     4.89  3.09  0.49
 assign ((resid  43 and name HD1* ))   ( (resid  44 and name HN   ))     4.56  2.76  0.46
 assign ((resid  44 and name HA   ))   ( (resid  45 and name HN   ))     3.23  1.43  0.32
 assign ((resid  44 and name HB   ))   ( (resid  45 and name HN   ))     3.34  1.54  0.33
 assign ((resid  44 and name HG2* ))   ( (resid  45 and name HN   ))     4.17  2.37  0.42
 assign ((resid  45 and name HN   ))   ( (resid  46 and name HN   ))     3.77  1.97  0.38
 assign ((resid  45 and name HB1  ))   ( (resid  46 and name HN   ))     3.99  2.19  0.40
 assign ((resid  45 and name HB2  ))   ( (resid  46 and name HN   ))     4.11  2.31  0.41
 assign ((resid  45 and name HG1  ))   ( (resid  46 and name HN   ))     5.00  3.20  0.50
 assign ((resid  46 and name HB   ))   ( (resid  47 and name HN   ))     3.48  1.68  0.35
 assign ((resid  46 and name HG2* ))   ( (resid  47 and name HN   ))     3.69  1.89  0.37
 assign ((resid  47 and name HB2  ))   ( (resid  48 and name HN   ))     3.96  2.16  0.40
 assign ((resid  47 and name HB1  ))   ( (resid  48 and name HN   ))     4.24  2.44  0.42
 assign ((resid  47 and name HG2  ))   ( (resid  48 and name HN   ))     5.22  3.42  0.52
 assign ((resid  47 and name HG1  ))   ( (resid  48 and name HN   ))     5.22  3.42  0.52
 assign ((resid  45 and name HA   ))   ( (resid  49 and name HN   ))     4.64  2.84  0.46
 assign ((resid  48 and name HB   ))   ( (resid  49 and name HN   ))     3.21  1.41  0.32
 assign ((resid  48 and name HG1* ))   ( (resid  49 and name HN   ))     3.95  2.15  0.40
 assign ((resid  48 and name HG2* ))   ( (resid  49 and name HN   ))     4.06  2.26  0.41
 assign ((resid  49 and name HN   ))   ( (resid  50 and name HN   ))     3.74  1.94  0.37
 assign ((resid  49 and name HB1  ))   ( (resid  50 and name HN   ))     3.58  1.78  0.36
 assign ((resid  49 and name HB2  ))   ( (resid  50 and name HN   ))     3.96  2.16  0.40
 assign ((resid  49 and name HG2  ))   ( (resid  50 and name HN   ))     4.99  3.19  0.50
 assign ((resid  49 and name HG1  ))   ( (resid  50 and name HN   ))     4.99  3.19  0.50
 assign ((resid  50 and name HN   ))   ( (resid  51 and name HN   ))     3.50  1.70  0.35
 assign ((resid  50 and name HB   ))   ( (resid  51 and name HN   ))     3.35  1.55  0.34
 assign ((resid  50 and name HG2* ))   ( (resid  51 and name HN   ))     3.69  1.89  0.37
 assign ((resid  50 and name HG12 ))   ( (resid  51 and name HN   ))     5.17  3.37  0.52
 assign ((resid  50 and name HG11 ))   ( (resid  51 and name HN   ))     4.67  2.87  0.47
 assign ((resid  50 and name HD1* ))   ( (resid  51 and name HN   ))     4.64  2.84  0.46
 assign ((resid  51 and name HN   ))   ( (resid  52 and name HN   ))     3.69  1.89  0.37
 assign ((resid  52 and name HN   ))   ( (resid  52 and name HB2  ))     3.89  2.09  0.39
 assign ((resid  51 and name HE3  ))   ( (resid  52 and name HN   ))     4.33  2.53  0.43
 assign ((resid  52 and name HN   ))   ( (resid  53 and name HN   ))     3.64  1.84  0.36
 assign ((resid  52 and name HB2  ))   ( (resid  53 and name HN   ))     4.17  2.37  0.42
 assign ((resid  52 and name HB1  ))   ( (resid  53 and name HN   ))     4.17  2.37  0.42
 assign ((resid  53 and name HB2  ))   ( (resid  54 and name HN   ))     3.85  2.05  0.38
 assign ((resid  53 and name HB1  ))   ( (resid  54 and name HN   ))     3.85  2.05  0.38
 assign ((resid  54 and name HB1  ))   ( (resid  55 and name HN   ))     4.19  2.39  0.42
 assign ((resid  54 and name HB2  ))   ( (resid  55 and name HN   ))     3.87  2.07  0.39
 assign ((resid  55 and name HN   ))   ( (resid  56 and name HN   ))     3.59  1.79  0.36
 assign ((resid  55 and name HB2  ))   ( (resid  56 and name HN   ))     4.69  2.89  0.47
 assign ((resid  55 and name HB1  ))   ( (resid  56 and name HN   ))     4.69  2.89  0.47
 assign ((resid  56 and name HN   ))   ( (resid  57 and name HN   ))     3.51  1.71  0.35
 assign ((resid  56 and name HB2  ))   ( (resid  57 and name HN   ))     4.23  2.43  0.42
 assign ((resid  56 and name HB1  ))   ( (resid  57 and name HN   ))     4.23  2.43  0.42
 assign ((resid  57 and name HB2  ))   ( (resid  58 and name HN   ))     4.33  2.53  0.43
 assign ((resid  57 and name HB1  ))   ( (resid  58 and name HN   ))     4.33  2.53  0.43
 assign ((resid  57 and name HD*  ))   ( (resid  58 and name HN   ))     4.95  3.15  0.49
 assign ((resid  56 and name HA   ))   ( (resid  59 and name HN   ))     3.80  2.00  0.38
 assign ((resid  58 and name HB2  ))   ( (resid  59 and name HN   ))     4.19  2.39  0.42
 assign ((resid  58 and name HB1  ))   ( (resid  59 and name HN   ))     4.19  2.39  0.42
 assign ((resid  59 and name HB   ))   ( (resid  60 and name HN   ))     4.17  2.37  0.42
 assign ((resid  59 and name HG2* ))   ( (resid  60 and name HN   ))     4.73  2.93  0.47
 assign ((resid  60 and name HB1  ))   ( (resid  61 and name HN   ))     4.31  2.51  0.43
 assign ((resid  61 and name HB1  ))   ( (resid  62 and name HN   ))     4.19  2.39  0.42
 assign ((resid  61 and name HG2  ))   ( (resid  62 and name HN   ))     5.59  3.79  0.56
 assign ((resid  61 and name HG1  ))   ( (resid  62 and name HN   ))     5.59  3.79  0.56
 assign ((resid  62 and name HN   ))   ( (resid  63 and name HN   ))     5.01  3.21  0.50
 assign ((resid  62 and name HA   ))   ( (resid  63 and name HN   ))     3.28  1.48  0.33
 assign ((resid  62 and name HB2  ))   ( (resid  63 and name HN   ))     4.40  2.60  0.44
 assign ((resid  62 and name HB1  ))   ( (resid  63 and name HN   ))     4.40  2.60  0.44
 assign ((resid  63 and name HA   ))   ( (resid  64 and name HN   ))     3.28  1.48  0.33
 assign ((resid  63 and name HB1  ))   ( (resid  64 and name HN   ))     4.65  2.85  0.47
 assign ((resid  64 and name HB2  ))   ( (resid  65 and name HN   ))     5.12  3.32  0.51
 assign ((resid  64 and name HB1  ))   ( (resid  65 and name HN   ))     5.12  3.32  0.51
 assign ((resid  65 and name HN   ))   ( (resid  66 and name HN   ))     5.38  3.58  0.54
 assign ((resid  66 and name HB2  ))   ( (resid  67 and name HN   ))     5.14  3.34  0.51
 assign ((resid  66 and name HB1  ))   ( (resid  67 and name HN   ))     5.14  3.34  0.51
 assign ((resid  67 and name HN   ))   ( (resid  68 and name HN   ))     4.24  2.44  0.42
 assign ((resid  67 and name HA   ))   ( (resid  68 and name HN   ))     3.34  1.54  0.33
 assign ((resid  67 and name HB2  ))   ( (resid  68 and name HN   ))     4.65  2.85  0.47
 assign ((resid  40 and name HN   ))   ( (resid  40 and name HD21 ))     4.93  3.13  0.49
 assign ((resid  40 and name HA   ))   ( (resid  40 and name HD21 ))     5.00  3.20  0.50
 assign ((resid  40 and name HN   ))   ( (resid  40 and name HD22 ))     4.93  3.13  0.49
 assign ((resid  40 and name HA   ))   ( (resid  40 and name HD22 ))     5.00  3.20  0.50
 assign ((resid  54 and name HA   ))   ( (resid  54 and name HD21 ))     5.19  3.39  0.52
 assign ((resid  54 and name HB1  ))   ( (resid  54 and name HD21 ))     4.01  2.21  0.40
 assign ((resid  54 and name HB2  ))   ( (resid  54 and name HD21 ))     3.85  2.05  0.38
 assign ((resid  54 and name HN   ))   ( (resid  54 and name HD22 ))     4.93  3.13  0.49
 assign ((resid  54 and name HA   ))   ( (resid  54 and name HD22 ))     5.19  3.39  0.52
 assign ((resid  54 and name HB1  ))   ( (resid  54 and name HD22 ))     4.01  2.21  0.40
 assign ((resid  54 and name HB2  ))   ( (resid  54 and name HD22 ))     3.85  2.05  0.38
 assign ((resid  15 and name HE21 ))   ( (resid  41 and name HB2  ))     4.32  2.52  0.43
 assign ((resid  15 and name HG1  ))   ( (resid  15 and name HE21 ))     3.55  1.75  0.35
 assign ((resid  15 and name HB2  ))   ( (resid  15 and name HE21 ))     4.01  2.21  0.40
 assign ((resid  15 and name HB2  ))   ( (resid  15 and name HE22 ))     4.52  2.72  0.45
 assign ((resid  15 and name HE22 ))   ( (resid  41 and name HB2  ))     4.44  2.64  0.44
 assign ((resid  15 and name HG1  ))   ( (resid  15 and name HE22 ))     3.73  1.93  0.37
 assign ((resid  26 and name HG1  ))   ( (resid  26 and name HE21 ))     3.64  1.84  0.36
 assign ((resid  26 and name HG1  ))   ( (resid  26 and name HE22 ))     3.64  1.84  0.36
 assign ((resid  47 and name HB2  ))   ( (resid  47 and name HE21 ))     4.43  2.63  0.44
 assign ((resid  47 and name HB1  ))   ( (resid  47 and name HE21 ))     4.76  2.96  0.48
 assign ((resid  47 and name HB2  ))   ( (resid  47 and name HE22 ))     4.43  2.63  0.44
 assign ((resid  14 and name HN   ))   ( (resid  14 and name HB   ))     3.40  1.60  0.34
 assign ((resid  14 and name HN   ))   ( (resid  14 and name HG2* ))     3.94  2.14  0.39
 assign ((resid  15 and name HN   ))   ( (resid  15 and name HB2  ))     3.21  1.41  0.32
 assign ((resid  15 and name HN   ))   ( (resid  15 and name HB1  ))     4.01  2.21  0.40
 assign ((resid  15 and name HN   ))   ( (resid  15 and name HG1  ))     4.47  2.67  0.45
 assign ((resid  16 and name HN   ))   ( (resid  16 and name HB   ))     3.08  1.28  0.31
 assign ((resid  16 and name HN   ))   ( (resid  16 and name HG2* ))     2.91  1.11  0.29
 assign ((resid  17 and name HN   ))   ( (resid  17 and name HB   ))     2.92  1.12  0.29
 assign ((resid  17 and name HN   ))   ( (resid  17 and name HG2* ))     3.80  2.00  0.38
 assign ((resid  17 and name HN   ))   ( (resid  17 and name HG12 ))     3.43  1.63  0.34
 assign ((resid  17 and name HN   ))   ( (resid  17 and name HG11 ))     3.43  1.63  0.34
 assign ((resid  17 and name HN   ))   ( (resid  17 and name HD1* ))     3.80  2.00  0.38
 assign ((resid  18 and name HN   ))   ( (resid  18 and name HB2  ))     3.25  1.45  0.33
 assign ((resid  18 and name HN   ))   ( (resid  18 and name HG1  ))     4.05  2.25  0.41
 assign ((resid  18 and name HN   ))   ( (resid  18 and name HG2  ))     3.55  1.75  0.35
 assign ((resid  19 and name HN   ))   ( (resid  19 and name HB2  ))     3.40  1.60  0.34
 assign ((resid  19 and name HN   ))   ( (resid  19 and name HB1  ))     4.17  2.37  0.42
 assign ((resid  19 and name HN   ))   ( (resid  19 and name HG   ))     3.33  1.53  0.33
 assign ((resid  19 and name HN   ))   ( (resid  19 and name HD2* ))     4.02  2.22  0.40
 assign ((resid  19 and name HN   ))   ( (resid  19 and name HD1* ))     4.08  2.28  0.41
 assign ((resid  20 and name HN   ))   ( (resid  20 and name HB2  ))     3.59  1.79  0.36
 assign ((resid  20 and name HN   ))   ( (resid  20 and name HB1  ))     3.59  1.79  0.36
 assign ((resid  20 and name HN   ))   ( (resid  20 and name HG2  ))     3.64  1.84  0.36
 assign ((resid  20 and name HN   ))   ( (resid  20 and name HG1  ))     3.64  1.84  0.36
 assign ((resid  21 and name HN   ))   ( (resid  21 and name HB2  ))     2.84  1.04  0.28
 assign ((resid  21 and name HN   ))   ( (resid  21 and name HG2  ))     4.35  2.55  0.44
 assign ((resid  21 and name HN   ))   ( (resid  21 and name HG1  ))     4.35  2.55  0.44
 assign ((resid  21 and name HN   ))   ( (resid  21 and name HD2  ))     4.95  3.15  0.49
 assign ((resid  21 and name HN   ))   ( (resid  21 and name HD1  ))     4.95  3.15  0.49
 assign ((resid  22 and name HN   ))   ( (resid  22 and name HB2  ))     3.47  1.67  0.35
 assign ((resid  22 and name HN   ))   ( (resid  22 and name HB1  ))     3.47  1.67  0.35
 assign ((resid  22 and name HN   ))   ( (resid  22 and name HG2  ))     4.69  2.89  0.47
 assign ((resid  22 and name HN   ))   ( (resid  22 and name HG1  ))     4.65  2.85  0.47
 assign ((resid  21 and name HB2  ))   ( (resid  22 and name HN   ))     3.26  1.46  0.33
 assign ((resid  23 and name HN   ))   ( (resid  23 and name HB2  ))     3.84  2.04  0.38
 assign ((resid  23 and name HN   ))   ( (resid  23 and name HB1  ))     3.84  2.04  0.38
 assign ((resid  23 and name HN   ))   ( (resid  52 and name HZ   ))     4.70  2.90  0.47
 assign ((resid  24 and name HN   ))   ( (resid  24 and name HB2  ))     3.64  1.84  0.36
 assign ((resid  24 and name HN   ))   ( (resid  24 and name HB1  ))     3.64  1.84  0.36
 assign ((resid  25 and name HN   ))   ( (resid  25 and name HB1  ))     3.99  2.19  0.40
 assign ((resid  26 and name HN   ))   ( (resid  26 and name HB1  ))     3.60  1.80  0.36
 assign ((resid  26 and name HN   ))   ( (resid  26 and name HG2  ))     3.80  2.00  0.38
 assign ((resid  27 and name HN   ))   ( (resid  27 and name HB1  ))     3.75  1.95  0.38
 assign ((resid  27 and name HN   ))   ( (resid  27 and name HB2  ))     3.32  1.52  0.33
 assign ((resid  27 and name HN   ))   ( (resid  27 and name HG2  ))     3.80  2.00  0.38
 assign ((resid  27 and name HN   ))   ( (resid  27 and name HG1  ))     3.80  2.00  0.38
 assign ((resid  27 and name HN   ))   ( (resid  27 and name HD2  ))     4.87  3.07  0.49
 assign ((resid  27 and name HN   ))   ( (resid  27 and name HD1  ))     4.87  3.07  0.49
 assign ((resid  29 and name HN   ))   ( (resid  29 and name HB1  ))     4.19  2.39  0.42
 assign ((resid  29 and name HN   ))   ( (resid  29 and name HB2  ))     3.56  1.76  0.36
 assign ((resid  29 and name HN   ))   ( (resid  29 and name HG   ))     4.14  2.34  0.41
 assign ((resid  29 and name HN   ))   ( (resid  29 and name HD1* ))     4.65  2.85  0.47
 assign ((resid  29 and name HN   ))   ( (resid  29 and name HD2* ))     4.46  2.66  0.45
 assign ((resid  31 and name HN   ))   ( (resid  31 and name HB*  ))     3.40  1.60  0.34
 assign ((resid  33 and name HN   ))   ( (resid  33 and name HB1  ))     3.89  2.09  0.39
 assign ((resid  33 and name HN   ))   ( (resid  33 and name HB2  ))     3.18  1.38  0.32
 assign ((resid  33 and name HN   ))   ( (resid  33 and name HG1  ))     4.01  2.21  0.40
 assign ((resid  34 and name HN   ))   ( (resid  34 and name HB1  ))     3.17  1.37  0.32
 assign ((resid  34 and name HN   ))   ( (resid  34 and name HG2  ))     4.46  2.66  0.45
 assign ((resid  34 and name HN   ))   ( (resid  34 and name HG1  ))     4.62  2.82  0.46
 assign ((resid  35 and name HN   ))   ( (resid  35 and name HB*  ))     2.63  0.83  0.26
 assign ((resid  37 and name HN   ))   ( (resid  37 and name HB2  ))     3.02  1.22  0.30
 assign ((resid  37 and name HN   ))   ( (resid  37 and name HB1  ))     3.03  1.23  0.30
 assign ((resid  37 and name HN   ))   ( (resid  39 and name HG2  ))     5.11  3.31  0.51
 assign ((resid  38 and name HN   ))   ( (resid  38 and name HB*  ))     2.78  0.98  0.28
 assign ((resid  39 and name HN   ))   ( (resid  39 and name HB1  ))     2.63  0.83  0.26
 assign ((resid  39 and name HN   ))   ( (resid  39 and name HG1  ))     4.11  2.31  0.41
 assign ((resid  39 and name HN   ))   ( (resid  39 and name HG2  ))     3.82  2.02  0.38
 assign ((resid  40 and name HN   ))   ( (resid  40 and name HB2  ))     2.93  1.13  0.29
 assign ((resid  41 and name HN   ))   ( (resid  41 and name HB2  ))     3.35  1.55  0.34
 assign ((resid  41 and name HN   ))   ( (resid  41 and name HG   ))     3.45  1.65  0.34
 assign ((resid  41 and name HN   ))   ( (resid  41 and name HD2* ))     3.80  2.00  0.38
 assign ((resid  41 and name HN   ))   ( (resid  41 and name HD1* ))     3.97  2.17  0.40
 assign ((resid  42 and name HN   ))   ( (resid  42 and name HA   ))     2.78  0.98  0.28
 assign ((resid  42 and name HN   ))   ( (resid  42 and name HB1  ))     4.19  2.39  0.42
 assign ((resid  42 and name HN   ))   ( (resid  42 and name HG2  ))     3.93  2.13  0.39
 assign ((resid  42 and name HN   ))   ( (resid  42 and name HG1  ))     3.93  2.13  0.39
 assign ((resid  42 and name HN   ))   ( (resid  42 and name HD2  ))     4.58  2.78  0.46
 assign ((resid  42 and name HN   ))   ( (resid  42 and name HD1  ))     4.58  2.78  0.46
 assign ((resid  43 and name HN   ))   ( (resid  43 and name HB2  ))     3.35  1.55  0.34
 assign ((resid  41 and name HB2  ))   ( (resid  43 and name HN   ))     3.52  1.72  0.35
 assign ((resid  43 and name HN   ))   ( (resid  43 and name HG   ))     3.64  1.84  0.36
 assign ((resid  43 and name HN   ))   ( (resid  43 and name HD2* ))     4.15  2.35  0.42
 assign ((resid  43 and name HN   ))   ( (resid  43 and name HD1* ))     4.21  2.41  0.42
 assign ((resid  45 and name HN   ))   ( (resid  45 and name HB2  ))     3.31  1.51  0.33
 assign ((resid  45 and name HN   ))   ( (resid  45 and name HG1  ))     3.57  1.77  0.36
 assign ((resid  46 and name HN   ))   ( (resid  46 and name HB   ))     3.18  1.38  0.32
 assign ((resid  46 and name HN   ))   ( (resid  46 and name HG2* ))     3.97  2.17  0.40
 assign ((resid  47 and name HN   ))   ( (resid  47 and name HB2  ))     3.06  1.26  0.31
 assign ((resid  47 and name HN   ))   ( (resid  47 and name HB1  ))     3.59  1.79  0.36
 assign ((resid  47 and name HN   ))   ( (resid  47 and name HG2  ))     3.65  1.85  0.37
 assign ((resid  47 and name HN   ))   ( (resid  47 and name HG1  ))     3.65  1.85  0.37
 assign ((resid  48 and name HN   ))   ( (resid  48 and name HB   ))     3.24  1.44  0.32
 assign ((resid  48 and name HN   ))   ( (resid  48 and name HG1* ))     4.00  2.20  0.40
 assign ((resid  48 and name HN   ))   ( (resid  48 and name HG2* ))     3.11  1.31  0.31
 assign ((resid  49 and name HN   ))   ( (resid  49 and name HB1  ))     3.22  1.42  0.32
 assign ((resid  49 and name HN   ))   ( (resid  49 and name HB2  ))     3.26  1.46  0.33
 assign ((resid  34 and name HG1  ))   ( (resid  49 and name HN   ))     5.11  3.31  0.51
 assign ((resid  50 and name HN   ))   ( (resid  50 and name HB   ))     3.16  1.36  0.32
 assign ((resid  50 and name HN   ))   ( (resid  50 and name HG2* ))     3.88  2.08  0.39
 assign ((resid  50 and name HN   ))   ( (resid  50 and name HG12 ))     3.76  1.96  0.38
 assign ((resid  50 and name HN   ))   ( (resid  50 and name HG11 ))     3.43  1.63  0.34
 assign ((resid  51 and name HN   ))   ( (resid  51 and name HB1  ))     3.30  1.50  0.33
 assign ((resid  51 and name HN   ))   ( (resid  51 and name HB2  ))     3.17  1.37  0.32
 assign ((resid  51 and name HN   ))   ( (resid  51 and name HD1  ))     5.18  3.38  0.52
 assign ((resid  51 and name HN   ))   ( (resid  51 and name HE3  ))     4.98  3.18  0.50
 assign ((resid  51 and name HB1  ))   ( (resid  52 and name HN   ))     3.42  1.62  0.34
 assign ((resid  52 and name HN   ))   ( (resid  52 and name HD*  ))     3.75  1.95  0.38
 assign ((resid  53 and name HN   ))   ( (resid  53 and name HB2  ))     3.18  1.38  0.32
 assign ((resid  53 and name HN   ))   ( (resid  53 and name HB1  ))     3.18  1.38  0.32
 assign ((resid  53 and name HN   ))   ( (resid  53 and name HG2  ))     4.68  2.88  0.47
 assign ((resid  54 and name HN   ))   ( (resid  54 and name HB1  ))     3.69  1.89  0.37
 assign ((resid  54 and name HN   ))   ( (resid  54 and name HB2  ))     3.16  1.36  0.32
 assign ((resid  54 and name HN   ))   ( (resid  54 and name HD21 ))     4.93  3.13  0.49
 assign ((resid  55 and name HN   ))   ( (resid  55 and name HB2  ))     3.75  1.95  0.38
 assign ((resid  55 and name HN   ))   ( (resid  55 and name HB1  ))     3.75  1.95  0.38
 assign ((resid  56 and name HN   ))   ( (resid  56 and name HB2  ))     4.01  2.21  0.40
 assign ((resid  56 and name HN   ))   ( (resid  56 and name HB1  ))     4.01  2.21  0.40
 assign ((resid  56 and name HN   ))   ( (resid  56 and name HG2  ))     4.26  2.46  0.43
 assign ((resid  56 and name HN   ))   ( (resid  56 and name HG1  ))     4.26  2.46  0.43
 assign ((resid  57 and name HN   ))   ( (resid  57 and name HB2  ))     3.30  1.50  0.33
 assign ((resid  57 and name HN   ))   ( (resid  57 and name HB1  ))     3.30  1.50  0.33
 assign ((resid  57 and name HN   ))   ( (resid  57 and name HD*  ))     4.30  2.50  0.43
 assign ((resid  58 and name HN   ))   ( (resid  58 and name HB2  ))     3.78  1.98  0.38
 assign ((resid  58 and name HN   ))   ( (resid  58 and name HB1  ))     3.78  1.98  0.38
 assign ((resid  58 and name HN   ))   ( (resid  58 and name HG2  ))     4.25  2.45  0.43
 assign ((resid  58 and name HN   ))   ( (resid  58 and name HG1  ))     4.25  2.45  0.43
 assign ((resid  58 and name HN   ))   ( (resid  58 and name HD2  ))     5.65  3.85  0.56
 assign ((resid  58 and name HN   ))   ( (resid  58 and name HD1  ))     5.65  3.85  0.56
 assign ((resid  59 and name HN   ))   ( (resid  59 and name HB   ))     4.08  2.28  0.41
 assign ((resid  59 and name HN   ))   ( (resid  59 and name HG2* ))     3.65  1.85  0.37
 assign ((resid  60 and name HN   ))   ( (resid  60 and name HB2  ))     4.11  2.31  0.41
 assign ((resid  60 and name HN   ))   ( (resid  60 and name HB1  ))     4.11  2.31  0.41
 assign ((resid  60 and name HN   ))   ( (resid  60 and name HG2  ))     5.50  3.70  0.55
 assign ((resid  60 and name HN   ))   ( (resid  60 and name HG1  ))     5.50  3.70  0.55
 assign ((resid  60 and name HA   ))   ( (resid  61 and name HN   ))     3.50  1.70  0.35
 assign ((resid  60 and name HB2  ))   ( (resid  61 and name HN   ))     4.31  2.51  0.43
 assign ((resid  61 and name HN   ))   ( (resid  61 and name HG2  ))     5.19  3.39  0.52
 assign ((resid  61 and name HN   ))   ( (resid  61 and name HG1  ))     5.19  3.39  0.52
 assign ((resid  61 and name HA   ))   ( (resid  62 and name HN   ))     3.28  1.48  0.33
 assign ((resid  61 and name HB2  ))   ( (resid  62 and name HN   ))     4.19  2.39  0.42
 assign ((resid  62 and name HN   ))   ( (resid  62 and name HG2  ))     5.50  3.70  0.55
 assign ((resid  62 and name HN   ))   ( (resid  62 and name HG1  ))     5.50  3.70  0.55
 assign ((resid  63 and name HN   ))   ( (resid  63 and name HG2  ))     5.08  3.28  0.51
 assign ((resid  63 and name HN   ))   ( (resid  63 and name HG1  ))     5.08  3.28  0.51
 assign ((resid  64 and name HN   ))   ( (resid  64 and name HB2  ))     3.52  1.72  0.35
 assign ((resid  64 and name HN   ))   ( (resid  64 and name HB1  ))     3.52  1.72  0.35
 assign ((resid  67 and name HN   ))   ( (resid  67 and name HG2  ))     4.85  3.05  0.48
 assign ((resid  67 and name HN   ))   ( (resid  67 and name HG1  ))     4.85  3.05  0.48
 assign ((resid  14 and name HN   ))   ( (resid  15 and name HN   ))     3.59  1.79  0.36
 assign ((resid  16 and name HN   ))   ( (resid  17 and name HN   ))     3.40  1.60  0.34
 assign ((resid  17 and name HN   ))   ( (resid  18 and name HN   ))     3.37  1.57  0.34
 assign ((resid  21 and name HN   ))   ( (resid  22 and name HN   ))     3.39  1.59  0.34
 assign ((resid  22 and name HN   ))   ( (resid  23 and name HN   ))     3.68  1.88  0.37
 assign ((resid  24 and name HN   ))   ( (resid  25 and name HN   ))     3.92  2.12  0.39
 assign ((resid  24 and name HN   ))   ( (resid  26 and name HN   ))     4.84  3.04  0.48
 assign ((resid  27 and name HN   ))   ( (resid  28 and name HN   ))     3.30  1.50  0.33
 assign ((resid  36 and name HN   ))   ( (resid  37 and name HN   ))     2.92  1.12  0.29
 assign ((resid  37 and name HN   ))   ( (resid  38 and name HN   ))     3.16  1.36  0.32
 assign ((resid  38 and name HN   ))   ( (resid  39 and name HN   ))     3.19  1.39  0.32
 assign ((resid  39 and name HN   ))   ( (resid  40 and name HN   ))     3.15  1.35  0.32
 assign ((resid  42 and name HN   ))   ( (resid  43 and name HN   ))     3.21  1.41  0.32
 assign ((resid  43 and name HN   ))   ( (resid  44 and name HN   ))     4.82  3.02  0.48
 assign ((resid  46 and name HN   ))   ( (resid  47 and name HN   ))     3.51  1.71  0.35
 assign ((resid  47 and name HN   ))   ( (resid  48 and name HN   ))     3.34  1.54  0.33
 assign ((resid  48 and name HN   ))   ( (resid  49 and name HN   ))     3.49  1.69  0.35
 assign ((resid  53 and name HN   ))   ( (resid  54 and name HN   ))     3.29  1.49  0.33
 assign ((resid  54 and name HN   ))   ( (resid  55 and name HN   ))     3.33  1.53  0.33
 assign ((resid  57 and name HN   ))   ( (resid  58 and name HN   ))     3.64  1.84  0.36
 assign ((resid  58 and name HN   ))   ( (resid  59 and name HN   ))     2.95  1.15  0.30
 assign ((resid  59 and name HN   ))   ( (resid  60 and name HN   ))     4.88  3.08  0.49
 assign ((resid  60 and name HN   ))   ( (resid  61 and name HN   ))     4.74  2.94  0.47
 assign ((resid  64 and name HN   ))   ( (resid  65 and name HN   ))     3.08  1.28  0.31
 assign ((resid  68 and name HN   ))   ( (resid  69 and name HN   ))     4.81  3.01  0.48
 assign ((resid  14 and name HN   ))   ( (resid  16 and name HN   ))     4.57  2.77  0.46
 assign ((resid  16 and name HN   ))   ( (resid  18 and name HN   ))     4.62  2.82  0.46
 assign ((resid  15 and name HN   ))   ( (resid  17 and name HN   ))     4.25  2.45  0.43
 assign ((resid  14 and name HA   ))   ( (resid  17 and name HN   ))     3.69  1.89  0.37
 assign ((resid  32 and name HA   ))   ( (resid  36 and name HN   ))     4.27  2.47  0.43
 assign ((resid  16 and name HA   ))   ( (resid  18 and name HN   ))     5.02  3.22  0.50
 assign ((resid  17 and name HA   ))   ( (resid  19 and name HN   ))     4.37  2.57  0.44
 assign ((resid  16 and name HA   ))   ( (resid  19 and name HN   ))     4.03  2.23  0.40
 assign ((resid  15 and name HA   ))   ( (resid  19 and name HN   ))     5.05  3.25  0.51
 assign ((resid  19 and name HN   ))   ( (resid  21 and name HN   ))     4.76  2.96  0.48
 assign ((resid  18 and name HN   ))   ( (resid  20 and name HN   ))     4.99  3.19  0.50
 assign ((resid  17 and name HA   ))   ( (resid  20 and name HN   ))     4.04  2.24  0.40
 assign ((resid  16 and name HA   ))   ( (resid  20 and name HN   ))     4.61  2.81  0.46
 assign ((resid  20 and name HN   ))   ( (resid  22 and name HN   ))     4.38  2.58  0.44
 assign ((resid  19 and name HA   ))   ( (resid  21 and name HN   ))     5.13  3.33  0.51
 assign ((resid  18 and name HA   ))   ( (resid  21 and name HN   ))     3.87  2.07  0.39
 assign ((resid  17 and name HA   ))   ( (resid  21 and name HN   ))     4.42  2.62  0.44
 assign ((resid  20 and name HA   ))   ( (resid  22 and name HN   ))     4.37  2.57  0.44
 assign ((resid  22 and name HN   ))   ( (resid  24 and name HN   ))     4.41  2.61  0.44
 assign ((resid  22 and name HA   ))   ( (resid  24 and name HN   ))     5.89  4.09  0.59
 assign ((resid  20 and name HA   ))   ( (resid  24 and name HN   ))     5.11  3.31  0.51
 assign ((resid  33 and name HN   ))   ( (resid  35 and name HN   ))     4.61  2.81  0.46
 assign ((resid  32 and name HA   ))   ( (resid  35 and name HN   ))     3.82  2.02  0.38
 assign ((resid  31 and name HA   ))   ( (resid  35 and name HN   ))     4.67  2.87  0.47
 assign ((resid  34 and name HN   ))   ( (resid  36 and name HN   ))     4.44  2.64  0.44
 assign ((resid  33 and name HA   ))   ( (resid  36 and name HN   ))     3.82  2.02  0.38
 assign ((resid  36 and name HN   ))   ( (resid  38 and name HN   ))     4.49  2.69  0.45
 assign ((resid  35 and name HA   ))   ( (resid  37 and name HN   ))     5.31  3.51  0.53
 assign ((resid  35 and name HN   ))   ( (resid  37 and name HN   ))     3.87  2.07  0.39
 assign ((resid  34 and name HA   ))   ( (resid  37 and name HN   ))     4.03  2.23  0.40
 assign ((resid  36 and name HA   ))   ( (resid  38 and name HN   ))     4.71  2.91  0.47
 assign ((resid  35 and name HA   ))   ( (resid  38 and name HN   ))     4.01  2.21  0.40
 assign ((resid  34 and name HA   ))   ( (resid  38 and name HN   ))     4.35  2.55  0.44
 assign ((resid  38 and name HN   ))   ( (resid  40 and name HN   ))     4.10  2.30  0.41
 assign ((resid  36 and name HA   ))   ( (resid  39 and name HN   ))     4.00  2.20  0.40
 assign ((resid  35 and name HA   ))   ( (resid  39 and name HN   ))     4.41  2.61  0.44
 assign ((resid  37 and name HN   ))   ( (resid  39 and name HN   ))     4.54  2.74  0.45
 assign ((resid  39 and name HN   ))   ( (resid  41 and name HN   ))     4.86  3.06  0.49
 assign ((resid  36 and name HA   ))   ( (resid  40 and name HN   ))     4.68  2.88  0.47
 assign ((resid  46 and name HN   ))   ( (resid  48 and name HN   ))     5.20  3.40  0.52
 assign ((resid  45 and name HA   ))   ( (resid  47 and name HN   ))     4.90  3.10  0.49
 assign ((resid  45 and name HN   ))   ( (resid  47 and name HN   ))     4.97  3.17  0.50
 assign ((resid  47 and name HN   ))   ( (resid  49 and name HN   ))     4.56  2.76  0.46
 assign ((resid  46 and name HA   ))   ( (resid  48 and name HN   ))     5.53  3.73  0.55
 assign ((resid  47 and name HA   ))   ( (resid  49 and name HN   ))     4.96  3.16  0.50
 assign ((resid  46 and name HA   ))   ( (resid  49 and name HN   ))     3.98  2.18  0.40
 assign ((resid  47 and name HA   ))   ( (resid  50 and name HN   ))     4.52  2.72  0.45
 assign ((resid  49 and name HN   ))   ( (resid  51 and name HN   ))     4.67  2.87  0.47
 assign ((resid  48 and name HA   ))   ( (resid  51 and name HN   ))     3.86  2.06  0.39
 assign ((resid  51 and name HN   ))   ( (resid  53 and name HN   ))     5.27  3.47  0.53
 assign ((resid  50 and name HN   ))   ( (resid  52 and name HN   ))     5.03  3.23  0.50
 assign ((resid  49 and name HA   ))   ( (resid  52 and name HN   ))     4.65  2.85  0.47
 assign ((resid  48 and name HA   ))   ( (resid  52 and name HN   ))     4.57  2.77  0.46
 assign ((resid  51 and name HA   ))   ( (resid  53 and name HN   ))     5.51  3.71  0.55
 assign ((resid  50 and name HA   ))   ( (resid  53 and name HN   ))     3.88  2.08  0.39
 assign ((resid  49 and name HA   ))   ( (resid  53 and name HN   ))     4.74  2.94  0.47
 assign ((resid  52 and name HN   ))   ( (resid  54 and name HN   ))     5.31  3.51  0.53
 assign ((resid  51 and name HA   ))   ( (resid  54 and name HN   ))     4.46  2.66  0.45
 assign ((resid  50 and name HA   ))   ( (resid  54 and name HN   ))     4.33  2.53  0.43
 assign ((resid  54 and name HN   ))   ( (resid  56 and name HN   ))     4.99  3.19  0.50
 assign ((resid  56 and name HN   ))   ( (resid  58 and name HN   ))     4.80  3.00  0.48
 assign ((resid  54 and name HA   ))   ( (resid  57 and name HN   ))     4.09  2.29  0.41
 assign ((resid  55 and name HA   ))   ( (resid  58 and name HN   ))     4.74  2.94  0.47
 assign ((resid  14 and name HN   ))   ( (resid  15 and name HB2  ))     5.01  3.21  0.50
 assign ((resid  12 and name HN   ))   ( (resid  15 and name HN   ))     4.88  3.08  0.49
 assign ((resid  15 and name HN   ))   ( (resid  16 and name HG2* ))     4.65  2.85  0.47
 assign ((resid  11 and name HB1  ))   ( (resid  15 and name HN   ))     5.26  3.46  0.53
 assign ((resid  15 and name HN   ))   ( (resid  16 and name HB   ))     5.17  3.37  0.52
 assign ((resid  15 and name HE21 ))   ( (resid  41 and name HG   ))     5.23  3.43  0.52
 assign ((resid  15 and name HE21 ))   ( (resid  42 and name HB2  ))     4.35  2.55  0.44
 assign ((resid  15 and name HE21 ))   ( (resid  43 and name HG   ))     3.76  1.96  0.38
 assign ((resid  15 and name HE21 ))   ( (resid  43 and name HD2* ))     3.67  1.87  0.37
 assign ((resid  15 and name HE21 ))   ( (resid  41 and name HD2* ))     4.77  2.97  0.48
 assign ((resid  15 and name HE21 ))   ( (resid  43 and name HD1* ))     4.62  2.82  0.46
 assign ((resid  15 and name HE22 ))   ( (resid  43 and name HG   ))     3.84  2.04  0.38
 assign ((resid  15 and name HE22 ))   ( (resid  42 and name HB1  ))     5.56  3.76  0.56
 assign ((resid  15 and name HE22 ))   ( (resid  42 and name HB2  ))     4.23  2.43  0.42
 assign ((resid  15 and name HE22 ))   ( (resid  43 and name HD1* ))     4.46  2.66  0.45
 assign ((resid  15 and name HE22 ))   ( (resid  43 and name HD2* ))     3.43  1.63  0.34
 assign ((resid  11 and name HB2  ))   ( (resid  16 and name HN   ))     5.39  3.59  0.54
 assign ((resid  16 and name HN   ))   ( (resid  17 and name HB   ))     5.87  4.07  0.59
 assign ((resid  11 and name HB1  ))   ( (resid  16 and name HN   ))     4.50  2.70  0.45
 assign ((resid  16 and name HG1* ))   ( (resid  19 and name HN   ))     4.94  3.14  0.49
 assign ((resid  16 and name HG1* ))   ( (resid  20 and name HN   ))     4.37  2.57  0.44
 assign ((resid  20 and name HN   ))   ( (resid  51 and name HZ2  ))     4.94  3.14  0.49
 assign ((resid  18 and name HN   ))   ( (resid  21 and name HN   ))     5.16  3.36  0.52
 assign ((resid  17 and name HG2* ))   ( (resid  21 and name HN   ))     4.72  2.92  0.47
 assign ((resid  22 and name HN   ))   ( (resid  37 and name HD1* ))     5.25  3.45  0.53
 assign ((resid  22 and name HN   ))   ( (resid  37 and name HD2* ))     5.67  3.87  0.57
 assign ((resid  22 and name HA   ))   ( (resid  25 and name HN   ))     4.64  2.84  0.46
 assign ((resid  23 and name HA   ))   ( (resid  26 and name HN   ))     3.89  2.09  0.39
 assign ((resid  26 and name HE21 ))   ( (resid  29 and name HA   ))     4.32  2.52  0.43
 assign ((resid  26 and name HE22 ))   ( (resid  29 and name HA   ))     4.32  2.52  0.43
 assign ((resid  26 and name HE21 ))   ( (resid  29 and name HD2* ))     3.91  2.11  0.39
 assign ((resid  26 and name HE22 ))   ( (resid  29 and name HD2* ))     3.91  2.11  0.39
 assign ((resid  26 and name HA   ))   ( (resid  28 and name HN   ))     4.54  2.74  0.45
 assign ((resid  30 and name HN   ))   ( (resid  34 and name HN   ))     4.51  2.71  0.45
 assign ((resid  30 and name HN   ))   ( (resid  33 and name HB1  ))     3.91  2.11  0.39
 assign ((resid  30 and name HN   ))   ( (resid  33 and name HB2  ))     3.36  1.56  0.34
 assign ((resid  31 and name HN   ))   ( (resid  32 and name HD1  ))     4.18  2.38  0.42
 assign ((resid  31 and name HN   ))   ( (resid  32 and name HD2  ))     4.23  2.43  0.42
 assign ((resid  30 and name HN   ))   ( (resid  33 and name HN   ))     4.65  2.85  0.47
 assign ((resid  29 and name HB1  ))   ( (resid  34 and name HN   ))     3.91  2.11  0.39
 assign ((resid  29 and name HD2* ))   ( (resid  34 and name HN   ))     4.74  2.94  0.47
 assign ((resid  29 and name HD1* ))   ( (resid  34 and name HN   ))     4.41  2.61  0.44
 assign ((resid  35 and name HN   ))   ( (resid  45 and name HG2  ))     4.47  2.67  0.45
 assign ((resid  33 and name HB2  ))   ( (resid  35 and name HN   ))     5.08  3.28  0.51
 assign ((resid  36 and name HN   ))   ( (resid  37 and name HB1  ))     5.39  3.59  0.54
 assign ((resid  36 and name HN   ))   ( (resid  39 and name HD2  ))     6.00  4.20  0.60
 assign ((resid  36 and name HN   ))   ( (resid  39 and name HD1  ))     6.00  4.20  0.60
 assign ((resid  37 and name HN   ))   ( (resid  38 and name HB*  ))     4.45  2.65  0.44
 assign ((resid  39 and name HN   ))   ( (resid  48 and name HG2* ))     4.73  2.93  0.47
 assign ((resid  39 and name HN   ))   ( (resid  40 and name HB2  ))     4.97  3.17  0.50
 assign ((resid  38 and name HB*  ))   ( (resid  40 and name HN   ))     4.46  2.66  0.45
 assign ((resid  37 and name HD1* ))   ( (resid  40 and name HN   ))     4.86  3.06  0.49
 assign ((resid  40 and name HN   ))   ( (resid  41 and name HD2* ))     5.03  3.23  0.50
 assign ((resid  37 and name HA   ))   ( (resid  40 and name HD21 ))     4.96  3.16  0.50
 assign ((resid  37 and name HA   ))   ( (resid  40 and name HD22 ))     4.96  3.16  0.50
 assign ((resid  41 and name HN   ))   ( (resid  42 and name HA   ))     4.51  2.71  0.45
 assign ((resid  37 and name HD1* ))   ( (resid  41 and name HN   ))     5.25  3.45  0.53
 assign ((resid  41 and name HN   ))   ( (resid  48 and name HG2* ))     5.72  3.92  0.57
 assign ((resid  39 and name HA   ))   ( (resid  42 and name HN   ))     4.08  2.28  0.41
 assign ((resid  43 and name HN   ))   ( (resid  48 and name HG2* ))     4.62  2.82  0.46
 assign ((resid  41 and name HD1* ))   ( (resid  43 and name HN   ))     5.22  3.42  0.52
 assign ((resid  38 and name HA   ))   ( (resid  43 and name HN   ))     3.75  1.95  0.38
 assign ((resid  39 and name HA   ))   ( (resid  43 and name HN   ))     4.48  2.68  0.45
 assign ((resid  41 and name HN   ))   ( (resid  43 and name HN   ))     4.38  2.58  0.44
 assign ((resid  44 and name HN   ))   ( (resid  48 and name HN   ))     5.05  3.25  0.51
 assign ((resid  44 and name HN   ))   ( (resid  48 and name HG2* ))     4.71  2.91  0.47
 assign ((resid  44 and name HN   ))   ( (resid  47 and name HG1  ))     4.80  3.00  0.48
 assign ((resid  44 and name HN   ))   ( (resid  47 and name HB2  ))     3.75  1.95  0.38
 assign ((resid  38 and name HB*  ))   ( (resid  45 and name HN   ))     4.03  2.23  0.40
 assign ((resid  44 and name HA   ))   ( (resid  46 and name HN   ))     4.18  2.38  0.42
 assign ((resid  47 and name HN   ))   ( (resid  48 and name HG2* ))     4.28  2.48  0.43
 assign ((resid  47 and name HN   ))   ( (resid  48 and name HB   ))     5.10  3.30  0.51
 assign ((resid  43 and name HD2* ))   ( (resid  47 and name HE21 ))     4.12  2.32  0.41
 assign ((resid  43 and name HD2* ))   ( (resid  47 and name HE22 ))     4.12  2.32  0.41
 assign ((resid  44 and name HN   ))   ( (resid  47 and name HN   ))     4.12  2.32  0.41
 assign ((resid  38 and name HB*  ))   ( (resid  48 and name HN   ))     4.83  3.03  0.48
 assign ((resid  49 and name HN   ))   ( (resid  51 and name HB1  ))     5.92  4.12  0.59
 assign ((resid  16 and name HA   ))   ( (resid  51 and name HE1  ))     4.84  3.04  0.48
 assign ((resid  16 and name HB   ))   ( (resid  51 and name HE1  ))     4.95  3.15  0.49
 assign ((resid  16 and name HG1* ))   ( (resid  51 and name HE1  ))     3.22  1.42  0.32
 assign ((resid  49 and name HB1  ))   ( (resid  51 and name HN   ))     5.57  3.77  0.56
 assign ((resid  48 and name HG1* ))   ( (resid  52 and name HN   ))     4.71  2.91  0.47
 assign ((resid  50 and name HG2* ))   ( (resid  54 and name HN   ))     4.39  2.59  0.44
 assign ((resid  50 and name HG2* ))   ( (resid  54 and name HD21 ))     3.57  1.77  0.36
 assign ((resid  50 and name HG2* ))   ( (resid  54 and name HD22 ))     3.57  1.77  0.36
 assign ((resid  23 and name HE*  ))   ( (resid  56 and name HN   ))     4.61  2.81  0.46
 assign ((resid  11 and name HG2  ))   ( (resid  12 and name HN   ))     5.32  3.52  0.53
 assign ((resid  12 and name HN   ))   ( (resid  15 and name HB2  ))     4.03  2.23  0.40
 assign ((resid  19 and name HD1* ))   ( (resid  51 and name HE1  ))     4.31  2.51  0.43
 assign ((resid  52 and name HN   ))   ( (resid  52 and name HE*  ))     4.89  3.09  0.49
 assign ((resid  44 and name HB   ))   ( (resid  46 and name HN   ))     3.19  1.39  0.32
 assign ((resid  11 and name HA   ))   ( (resid  11 and name HG2  ))     3.76  1.96  0.38
 assign ((resid  14 and name HA   ))   ( (resid  14 and name HG2* ))     3.14  1.34  0.31
 assign ((resid  15 and name HA   ))   ( (resid  15 and name HG1  ))     3.68  1.88  0.37
 assign ((resid  15 and name HN   ))   ( (resid  15 and name HG2  ))     4.74  2.94  0.47
 assign ((resid  15 and name HA   ))   ( (resid  15 and name HG2  ))     3.80  2.00  0.38
 assign ((resid  16 and name HA   ))   ( (resid  16 and name HG1* ))     3.28  1.48  0.33
 assign ((resid  16 and name HA   ))   ( (resid  16 and name HG2* ))     3.26  1.46  0.33
 assign ((resid  16 and name HN   ))   ( (resid  16 and name HG1* ))     3.96  2.16  0.40
 assign ((resid  17 and name HA   ))   ( (resid  17 and name HG2* ))     3.26  1.46  0.33
 assign ((resid  17 and name HA   ))   ( (resid  17 and name HG12 ))     3.76  1.96  0.38
 assign ((resid  17 and name HA   ))   ( (resid  17 and name HD1* ))     4.02  2.22  0.40
 assign ((resid  17 and name HB   ))   ( (resid  17 and name HD1* ))     3.44  1.64  0.34
 assign ((resid  17 and name HG2* ))   ( (resid  17 and name HG12 ))     3.48  1.68  0.35
 assign ((resid  17 and name HG2* ))   ( (resid  17 and name HD1* ))     2.97  1.17  0.30
 assign ((resid  17 and name HA   ))   ( (resid  17 and name HG11 ))     3.76  1.96  0.38
 assign ((resid  17 and name HG2* ))   ( (resid  17 and name HG11 ))     3.48  1.68  0.35
 assign ((resid  18 and name HA   ))   ( (resid  18 and name HB1  ))     2.83  1.03  0.28
 assign ((resid  18 and name HA   ))   ( (resid  18 and name HG1  ))     4.00  2.20  0.40
 assign ((resid  18 and name HA   ))   ( (resid  18 and name HG2  ))     3.72  1.92  0.37
 assign ((resid  19 and name HA   ))   ( (resid  41 and name HD1* ))     4.45  2.65  0.44
 assign ((resid  19 and name HA   ))   ( (resid  19 and name HG   ))     3.89  2.09  0.39
 assign ((resid  19 and name HA   ))   ( (resid  19 and name HD2* ))     3.08  1.28  0.31
 assign ((resid  19 and name HA   ))   ( (resid  19 and name HD1* ))     4.49  2.69  0.45
 assign ((resid  19 and name HG   ))   ( (resid  41 and name HD1* ))     3.55  1.75  0.35
 assign ((resid  19 and name HD2* ))   ( (resid  41 and name HD1* ))     3.19  1.39  0.32
 assign ((resid  19 and name HB1  ))   ( (resid  19 and name HD2* ))     3.95  2.15  0.40
 assign ((resid  19 and name HB2  ))   ( (resid  19 and name HD1* ))     3.93  2.13  0.39
 assign ((resid  20 and name HA   ))   ( (resid  20 and name HG2  ))     3.84  2.04  0.38
 assign ((resid  20 and name HA   ))   ( (resid  20 and name HG1  ))     3.84  2.04  0.38
 assign ((resid  21 and name HA   ))   ( (resid  21 and name HB1  ))     2.88  1.08  0.29
 assign ((resid  21 and name HA   ))   ( (resid  21 and name HG2  ))     3.59  1.79  0.36
 assign ((resid  21 and name HA   ))   ( (resid  21 and name HG1  ))     3.59  1.79  0.36
 assign ((resid  21 and name HA   ))   ( (resid  21 and name HD2  ))     4.90  3.10  0.49
 assign ((resid  21 and name HA   ))   ( (resid  21 and name HD1  ))     4.90  3.10  0.49
 assign ((resid  21 and name HB2  ))   ( (resid  21 and name HD1  ))     4.03  2.23  0.40
 assign ((resid  21 and name HB2  ))   ( (resid  21 and name HD2  ))     4.03  2.23  0.40
 assign ((resid  22 and name HA   ))   ( (resid  22 and name HG2  ))     3.77  1.97  0.38
 assign ((resid  22 and name HA   ))   ( (resid  22 and name HG1  ))     3.84  2.04  0.38
 assign ((resid  22 and name HA   ))   ( (resid  22 and name HD2  ))     3.47  1.67  0.35
 assign ((resid  22 and name HA   ))   ( (resid  22 and name HD1  ))     3.47  1.67  0.35
 assign ((resid  22 and name HA   ))   ( (resid  22 and name HE2  ))     5.09  3.29  0.51
 assign ((resid  22 and name HG2  ))   ( (resid  22 and name HE2  ))     3.83  2.03  0.38
 assign ((resid  22 and name HG1  ))   ( (resid  22 and name HE2  ))     4.03  2.23  0.40
 assign ((resid  22 and name HA   ))   ( (resid  22 and name HE1  ))     5.09  3.29  0.51
 assign ((resid  22 and name HG2  ))   ( (resid  22 and name HE1  ))     3.83  2.03  0.38
 assign ((resid  22 and name HG1  ))   ( (resid  22 and name HE1  ))     4.03  2.23  0.40
 assign ((resid  25 and name HN   ))   ( (resid  25 and name HB2  ))     3.99  2.19  0.40
 assign ((resid  26 and name HA   ))   ( (resid  26 and name HG2  ))     4.06  2.26  0.41
 assign ((resid  27 and name HA   ))   ( (resid  27 and name HG2  ))     3.94  2.14  0.39
 assign ((resid  27 and name HA   ))   ( (resid  27 and name HG1  ))     3.94  2.14  0.39
 assign ((resid  27 and name HB2  ))   ( (resid  56 and name HD1  ))     6.00  4.20  0.60
 assign ((resid  28 and name HA   ))   ( (resid  28 and name HD*  ))     3.65  1.85  0.37
 assign ((resid  29 and name HA   ))   ( (resid  29 and name HG   ))     4.11  2.31  0.41
 assign ((resid  29 and name HA   ))   ( (resid  29 and name HD1* ))     4.23  2.43  0.42
 assign ((resid  29 and name HA   ))   ( (resid  29 and name HD2* ))     3.31  1.51  0.33
 assign ((resid  29 and name HB1  ))   ( (resid  29 and name HD1* ))     3.65  1.85  0.37
 assign ((resid  29 and name HB1  ))   ( (resid  29 and name HD2* ))     3.76  1.96  0.38
 assign ((resid  29 and name HB2  ))   ( (resid  29 and name HD1* ))     3.58  1.78  0.36
 assign ((resid  29 and name HB2  ))   ( (resid  29 and name HD2* ))     3.93  2.13  0.39
 assign ((resid  32 and name HD2  ))   ( (resid  33 and name HB2  ))     4.77  2.97  0.48
 assign ((resid  33 and name HA   ))   ( (resid  33 and name HB1  ))     2.99  1.19  0.30
 assign ((resid  33 and name HA   ))   ( (resid  33 and name HG2  ))     3.76  1.96  0.38
 assign ((resid  33 and name HA   ))   ( (resid  33 and name HG1  ))     3.76  1.96  0.38
 assign ((resid  33 and name HN   ))   ( (resid  33 and name HG2  ))     4.01  2.21  0.40
 assign ((resid  34 and name HA   ))   ( (resid  34 and name HG2  ))     4.10  2.30  0.41
 assign ((resid  34 and name HA   ))   ( (resid  34 and name HG1  ))     3.73  1.93  0.37
 assign ((resid  34 and name HA   ))   ( (resid  34 and name HD2  ))     5.08  3.28  0.51
 assign ((resid  34 and name HA   ))   ( (resid  34 and name HD1  ))     5.08  3.28  0.51
 assign ((resid  34 and name HD1  ))   ( (resid  49 and name HB2  ))     4.33  2.53  0.43
 assign ((resid  36 and name HA   ))   ( (resid  36 and name HD2  ))     4.96  3.16  0.50
 assign ((resid  37 and name HA   ))   ( (resid  37 and name HG   ))     3.83  2.03  0.38
 assign ((resid  37 and name HA   ))   ( (resid  37 and name HD2* ))     3.93  2.13  0.39
 assign ((resid  37 and name HB1  ))   ( (resid  37 and name HD2* ))     3.33  1.53  0.33
 assign ((resid  37 and name HB1  ))   ( (resid  37 and name HD1* ))     3.48  1.68  0.35
 assign ((resid  37 and name HN   ))   ( (resid  37 and name HG   ))     4.47  2.67  0.45
 assign ((resid  37 and name HN   ))   ( (resid  37 and name HD2* ))     4.35  2.55  0.44
 assign ((resid  37 and name HB2  ))   ( (resid  37 and name HD2* ))     2.80  1.00  0.28
 assign ((resid  22 and name HG2  ))   ( (resid  37 and name HD2* ))     3.48  1.68  0.35
 assign ((resid  37 and name HN   ))   ( (resid  37 and name HD1* ))     4.25  2.45  0.43
 assign ((resid  37 and name HA   ))   ( (resid  37 and name HD1* ))     2.97  1.17  0.30
 assign ((resid  37 and name HB2  ))   ( (resid  37 and name HD1* ))     3.19  1.39  0.32
 assign ((resid  22 and name HG2  ))   ( (resid  37 and name HD1* ))     3.67  1.87  0.37
 assign ((resid  39 and name HA   ))   ( (resid  39 and name HB2  ))     2.95  1.15  0.30
 assign ((resid  39 and name HA   ))   ( (resid  39 and name HG2  ))     3.95  2.15  0.40
 assign ((resid  39 and name HA   ))   ( (resid  39 and name HG1  ))     3.89  2.09  0.39
 assign ((resid  39 and name HN   ))   ( (resid  39 and name HD2  ))     5.52  3.72  0.55
 assign ((resid  39 and name HN   ))   ( (resid  39 and name HD1  ))     5.52  3.72  0.55
 assign ((resid  39 and name HA   ))   ( (resid  39 and name HE2  ))     6.00  4.20  0.60
 assign ((resid  39 and name HA   ))   ( (resid  39 and name HE1  ))     6.00  4.20  0.60
 assign ((resid  40 and name HN   ))   ( (resid  40 and name HB1  ))     3.68  1.88  0.37
 assign ((resid  41 and name HA   ))   ( (resid  41 and name HG   ))     3.97  2.17  0.40
 assign ((resid  41 and name HA   ))   ( (resid  41 and name HD2* ))     2.84  1.04  0.28
 assign ((resid  41 and name HB2  ))   ( (resid  41 and name HD2* ))     3.44  1.64  0.34
 assign ((resid  41 and name HB2  ))   ( (resid  41 and name HD1* ))     3.27  1.47  0.33
 assign ((resid  41 and name HN   ))   ( (resid  41 and name HB1  ))     3.80  2.00  0.38
 assign ((resid  41 and name HB1  ))   ( (resid  41 and name HD2* ))     3.30  1.50  0.33
 assign ((resid  41 and name HB1  ))   ( (resid  41 and name HD1* ))     3.20  1.40  0.32
 assign ((resid  41 and name HA   ))   ( (resid  41 and name HD1* ))     4.39  2.59  0.44
 assign ((resid  42 and name HA   ))   ( (resid  42 and name HD2  ))     4.40  2.60  0.44
 assign ((resid  42 and name HB1  ))   ( (resid  42 and name HD2  ))     3.95  2.15  0.40
 assign ((resid  42 and name HB2  ))   ( (resid  42 and name HD2  ))     3.82  2.02  0.38
 assign ((resid  42 and name HA   ))   ( (resid  42 and name HD1  ))     4.40  2.60  0.44
 assign ((resid  42 and name HB1  ))   ( (resid  42 and name HD1  ))     3.95  2.15  0.40
 assign ((resid  42 and name HB2  ))   ( (resid  42 and name HD1  ))     3.82  2.02  0.38
 assign ((resid  42 and name HA   ))   ( (resid  42 and name HE2  ))     6.00  4.20  0.60
 assign ((resid  42 and name HA   ))   ( (resid  42 and name HE1  ))     6.00  4.20  0.60
 assign ((resid  42 and name HB1  ))   ( (resid  42 and name HE2  ))     5.60  3.80  0.56
 assign ((resid  42 and name HB1  ))   ( (resid  42 and name HE1  ))     5.60  3.80  0.56
 assign ((resid  43 and name HA   ))   ( (resid  43 and name HG   ))     3.47  1.67  0.35
 assign ((resid  43 and name HA   ))   ( (resid  43 and name HD2* ))     2.93  1.13  0.29
 assign ((resid  43 and name HA   ))   ( (resid  43 and name HD1* ))     4.21  2.41  0.42
 assign ((resid  43 and name HB2  ))   ( (resid  43 and name HD1* ))     3.50  1.70  0.35
 assign ((resid  43 and name HB1  ))   ( (resid  43 and name HD1* ))     3.55  1.75  0.35
 assign ((resid  41 and name HB2  ))   ( (resid  43 and name HG   ))     3.56  1.76  0.36
 assign ((resid  43 and name HB2  ))   ( (resid  43 and name HD2* ))     3.83  2.03  0.38
 assign ((resid  43 and name HB1  ))   ( (resid  43 and name HD2* ))     3.29  1.49  0.33
 assign ((resid  44 and name HN   ))   ( (resid  44 and name HG2* ))     3.20  1.40  0.32
 assign ((resid  44 and name HA   ))   ( (resid  44 and name HG2* ))     3.23  1.43  0.32
 assign ((resid  45 and name HA   ))   ( (resid  45 and name HG2  ))     3.75  1.95  0.38
 assign ((resid  45 and name HA   ))   ( (resid  45 and name HG1  ))     3.82  2.02  0.38
 assign ((resid  45 and name HN   ))   ( (resid  45 and name HG2  ))     4.33  2.53  0.43
 assign ((resid  46 and name HA   ))   ( (resid  46 and name HG2* ))     3.15  1.35  0.32
 assign ((resid  47 and name HA   ))   ( (resid  47 and name HG2  ))     3.39  1.59  0.34
 assign ((resid  47 and name HA   ))   ( (resid  47 and name HG1  ))     3.39  1.59  0.34
 assign ((resid  48 and name HA   ))   ( (resid  48 and name HG2* ))     3.15  1.35  0.32
 assign ((resid  48 and name HA   ))   ( (resid  48 and name HG1* ))     3.18  1.38  0.32
 assign ((resid  38 and name HA   ))   ( (resid  48 and name HG2* ))     3.06  1.26  0.31
 assign ((resid  49 and name HA   ))   ( (resid  49 and name HG2  ))     3.89  2.09  0.39
 assign ((resid  49 and name HA   ))   ( (resid  49 and name HG1  ))     3.89  2.09  0.39
 assign ((resid  49 and name HA   ))   ( (resid  49 and name HD2  ))     5.23  3.43  0.52
 assign ((resid  49 and name HA   ))   ( (resid  49 and name HD1  ))     5.23  3.43  0.52
 assign ((resid  50 and name HA   ))   ( (resid  50 and name HG2* ))     3.14  1.34  0.31
 assign ((resid  50 and name HA   ))   ( (resid  50 and name HG12 ))     3.44  1.64  0.34
 assign ((resid  50 and name HA   ))   ( (resid  50 and name HG11 ))     3.63  1.83  0.36
 assign ((resid  50 and name HG2* ))   ( (resid  50 and name HD1* ))     2.98  1.18  0.30
 assign ((resid  50 and name HG2* ))   ( (resid  50 and name HG12 ))     3.38  1.58  0.34
 assign ((resid  50 and name HG2* ))   ( (resid  50 and name HG11 ))     3.46  1.66  0.35
 assign ((resid  50 and name HN   ))   ( (resid  50 and name HD1* ))     4.18  2.38  0.42
 assign ((resid  50 and name HA   ))   ( (resid  50 and name HD1* ))     4.05  2.25  0.41
 assign ((resid  50 and name HB   ))   ( (resid  50 and name HD1* ))     3.40  1.60  0.34
 assign ((resid  52 and name HN   ))   ( (resid  52 and name HB1  ))     3.89  2.09  0.39
 assign ((resid  53 and name HA   ))   ( (resid  53 and name HG2  ))     3.91  2.11  0.39
 assign ((resid  53 and name HA   ))   ( (resid  53 and name HG1  ))     3.91  2.11  0.39
 assign ((resid  53 and name HN   ))   ( (resid  53 and name HG1  ))     4.68  2.88  0.47
 assign ((resid  55 and name HA   ))   ( (resid  55 and name HD1  ))     4.32  2.52  0.43
 assign ((resid  56 and name HA   ))   ( (resid  56 and name HG2  ))     3.87  2.07  0.39
 assign ((resid  56 and name HA   ))   ( (resid  56 and name HG1  ))     3.87  2.07  0.39
 assign ((resid  56 and name HA   ))   ( (resid  56 and name HD2  ))     5.34  3.54  0.53
 assign ((resid  56 and name HA   ))   ( (resid  56 and name HD1  ))     5.34  3.54  0.53
 assign ((resid  58 and name HA   ))   ( (resid  58 and name HG2  ))     3.98  2.18  0.40
 assign ((resid  58 and name HA   ))   ( (resid  58 and name HG1  ))     3.98  2.18  0.40
 assign ((resid  58 and name HA   ))   ( (resid  58 and name HD2  ))     5.20  3.40  0.52
 assign ((resid  58 and name HA   ))   ( (resid  58 and name HD1  ))     5.20  3.40  0.52
 assign ((resid  59 and name HA   ))   ( (resid  59 and name HG2* ))     3.11  1.31  0.31
 assign ((resid  61 and name HA   ))   ( (resid  61 and name HD2  ))     5.35  3.55  0.54
 assign ((resid  61 and name HA   ))   ( (resid  61 and name HD1  ))     5.35  3.55  0.54
 assign ((resid  62 and name HA   ))   ( (resid  62 and name HG2  ))     4.24  2.44  0.42
 assign ((resid  62 and name HA   ))   ( (resid  62 and name HG1  ))     4.24  2.44  0.42
 assign ((resid  64 and name HA   ))   ( (resid  64 and name HG   ))     4.03  2.23  0.40
 assign ((resid  64 and name HA   ))   ( (resid  64 and name HD1* ))     4.62  2.82  0.46
 assign ((resid  64 and name HN   ))   ( (resid  64 and name HG   ))     4.71  2.91  0.47
 assign ((resid  64 and name HN   ))   ( (resid  64 and name HD1* ))     5.02  3.22  0.50
 assign ((resid  64 and name HN   ))   ( (resid  64 and name HD2* ))     5.02  3.22  0.50
 assign ((resid  64 and name HA   ))   ( (resid  64 and name HD2* ))     4.62  2.82  0.46
 assign ((resid  68 and name HA   ))   ( (resid  68 and name HD1* ))     4.89  3.09  0.49
 assign ((resid  68 and name HA   ))   ( (resid  68 and name HD2* ))     4.89  3.09  0.49
 assign ((resid  11 and name HA   ))   ( (resid  12 and name HN   ))     3.40  1.60  0.34
 assign ((resid  11 and name HB2  ))   ( (resid  12 and name HN   ))     4.56  2.76  0.46
 assign ((resid  14 and name HB   ))   ( (resid  15 and name HN   ))     3.90  2.10  0.39
 assign ((resid  15 and name HG1  ))   ( (resid  16 and name HN   ))     4.57  2.77  0.46
 assign ((resid  15 and name HG2  ))   ( (resid  16 and name HN   ))     4.22  2.42  0.42
 assign ((resid  16 and name HG2* ))   ( (resid  17 and name HN   ))     4.42  2.62  0.44
 assign ((resid  17 and name HG12 ))   ( (resid  18 and name HN   ))     5.06  3.26  0.51
 assign ((resid  17 and name HG11 ))   ( (resid  18 and name HN   ))     5.06  3.26  0.51
 assign ((resid  18 and name HG1  ))   ( (resid  19 and name HN   ))     5.25  3.45  0.53
 assign ((resid  19 and name HD2* ))   ( (resid  20 and name HN   ))     4.97  3.17  0.50
 assign ((resid  24 and name HB2  ))   ( (resid  25 and name HN   ))     5.12  3.32  0.51
 assign ((resid  24 and name HB1  ))   ( (resid  25 and name HN   ))     5.12  3.32  0.51
 assign ((resid  26 and name HG2  ))   ( (resid  27 and name HN   ))     5.45  3.65  0.55
 assign ((resid  27 and name HB1  ))   ( (resid  28 and name HN   ))     4.89  3.09  0.49
 assign ((resid  27 and name HB2  ))   ( (resid  28 and name HN   ))     4.65  2.85  0.47
 assign ((resid  32 and name HD2  ))   ( (resid  33 and name HN   ))     4.65  2.85  0.47
 assign ((resid  33 and name HB1  ))   ( (resid  34 and name HN   ))     4.02  2.22  0.40
 assign ((resid  37 and name HD1* ))   ( (resid  38 and name HN   ))     4.54  2.74  0.45
 assign ((resid  39 and name HB2  ))   ( (resid  40 and name HN   ))     4.48  2.68  0.45
 assign ((resid  39 and name HB1  ))   ( (resid  40 and name HN   ))     4.80  3.00  0.48
 assign ((resid  39 and name HD2  ))   ( (resid  40 and name HN   ))     5.43  3.63  0.54
 assign ((resid  39 and name HD1  ))   ( (resid  40 and name HN   ))     5.43  3.63  0.54
 assign ((resid  40 and name HA   ))   ( (resid  41 and name HN   ))     3.54  1.74  0.35
 assign ((resid  40 and name HB2  ))   ( (resid  41 and name HN   ))     3.69  1.89  0.37
 assign ((resid  40 and name HB1  ))   ( (resid  41 and name HN   ))     3.68  1.88  0.37
 assign ((resid  68 and name HB2  ))   ( (resid  69 and name HN   ))     4.99  3.19  0.50
 assign ((resid  68 and name HB1  ))   ( (resid  69 and name HN   ))     4.99  3.19  0.50
 assign ((resid  42 and name HB2  ))   ( (resid  43 and name HN   ))     4.24  2.44  0.42
 assign ((resid  42 and name HG2  ))   ( (resid  43 and name HN   ))     6.00  4.20  0.60
 assign ((resid  42 and name HG1  ))   ( (resid  43 and name HN   ))     6.00  4.20  0.60
 assign ((resid  43 and name HD2* ))   ( (resid  44 and name HN   ))     3.96  2.16  0.40
 assign ((resid  35 and name HN   ))   ( (resid  45 and name HG1  ))     5.50  3.70  0.55
 assign ((resid  47 and name HB1  ))   ( (resid  47 and name HE22 ))     4.76  2.96  0.48
 assign ((resid  51 and name HB2  ))   ( (resid  52 and name HN   ))     4.78  2.98  0.48
 assign ((resid  58 and name HG2  ))   ( (resid  59 and name HN   ))     5.35  3.55  0.54
 assign ((resid  58 and name HG1  ))   ( (resid  59 and name HN   ))     5.35  3.55  0.54
 assign ((resid  63 and name HB2  ))   ( (resid  64 and name HN   ))     4.65  2.85  0.47
 assign ((resid  64 and name HD1* ))   ( (resid  65 and name HN   ))     5.16  3.36  0.52
 assign ((resid  64 and name HD2* ))   ( (resid  65 and name HN   ))     5.16  3.36  0.52
 assign ((resid  67 and name HB1  ))   ( (resid  68 and name HN   ))     4.65  2.85  0.47
 assign ((resid  68 and name HD1* ))   ( (resid  69 and name HN   ))     5.53  3.73  0.55
 assign ((resid  68 and name HD2* ))   ( (resid  69 and name HN   ))     5.53  3.73  0.55
 assign ((resid  12 and name HA   ))   ( (resid  15 and name HB1  ))     4.59  2.79  0.46
 assign ((resid  13 and name HA   ))   ( (resid  16 and name HN   ))     4.35  2.55  0.44
 assign ((resid  13 and name HA   ))   ( (resid  16 and name HB   ))     3.82  2.02  0.38
 assign ((resid  13 and name HA   ))   ( (resid  17 and name HN   ))     5.36  3.56  0.54
 assign ((resid  14 and name HA   ))   ( (resid  17 and name HB   ))     3.50  1.70  0.35
 assign ((resid  14 and name HA   ))   ( (resid  18 and name HN   ))     4.68  2.88  0.47
 assign ((resid  15 and name HA   ))   ( (resid  18 and name HN   ))     4.35  2.55  0.44
 assign ((resid  15 and name HA   ))   ( (resid  18 and name HB2  ))     3.84  2.04  0.38
 assign ((resid  15 and name HA   ))   ( (resid  17 and name HN   ))     5.28  3.48  0.53
 assign ((resid  16 and name HA   ))   ( (resid  19 and name HB2  ))     3.96  2.16  0.40
 assign ((resid  16 and name HA   ))   ( (resid  19 and name HB1  ))     5.24  3.44  0.52
 assign ((resid  17 and name HA   ))   ( (resid  20 and name HB2  ))     4.36  2.56  0.44
 assign ((resid  17 and name HA   ))   ( (resid  20 and name HB1  ))     4.36  2.56  0.44
 assign ((resid  18 and name HA   ))   ( (resid  20 and name HN   ))     5.06  3.26  0.51
 assign ((resid  18 and name HA   ))   ( (resid  21 and name HB2  ))     3.34  1.54  0.33
 assign ((resid  18 and name HA   ))   ( (resid  22 and name HN   ))     5.08  3.28  0.51
 assign ((resid  19 and name HA   ))   ( (resid  22 and name HN   ))     3.96  2.16  0.40
 assign ((resid  19 and name HA   ))   ( (resid  22 and name HB2  ))     4.63  2.83  0.46
 assign ((resid  19 and name HA   ))   ( (resid  22 and name HB1  ))     4.63  2.83  0.46
 assign ((resid  20 and name HA   ))   ( (resid  23 and name HN   ))     4.48  2.68  0.45
 assign ((resid  20 and name HA   ))   ( (resid  23 and name HB2  ))     3.99  2.19  0.40
 assign ((resid  20 and name HA   ))   ( (resid  23 and name HB1  ))     3.99  2.19  0.40
 assign ((resid  21 and name HA   ))   ( (resid  24 and name HN   ))     4.31  2.51  0.43
 assign ((resid  31 and name HA   ))   ( (resid  33 and name HN   ))     6.00  4.20  0.60
 assign ((resid  31 and name HA   ))   ( (resid  34 and name HN   ))     4.53  2.73  0.45
 assign ((resid  31 and name HA   ))   ( (resid  34 and name HB1  ))     3.62  1.82  0.36
 assign ((resid  31 and name HA   ))   ( (resid  34 and name HB2  ))     4.61  2.81  0.46
 assign ((resid  32 and name HA   ))   ( (resid  34 and name HN   ))     5.24  3.44  0.52
 assign ((resid  32 and name HA   ))   ( (resid  35 and name HB*  ))     3.19  1.39  0.32
 assign ((resid  33 and name HA   ))   ( (resid  35 and name HN   ))     4.73  2.93  0.47
 assign ((resid  34 and name HA   ))   ( (resid  37 and name HB2  ))     3.83  2.03  0.38
 assign ((resid  34 and name HA   ))   ( (resid  37 and name HB1  ))     4.04  2.24  0.40
 assign ((resid  35 and name HA   ))   ( (resid  38 and name HB*  ))     3.27  1.47  0.33
 assign ((resid  36 and name HA   ))   ( (resid  39 and name HB1  ))     4.11  2.31  0.41
 assign ((resid  37 and name HA   ))   ( (resid  39 and name HN   ))     5.21  3.41  0.52
 assign ((resid  37 and name HA   ))   ( (resid  40 and name HN   ))     3.68  1.88  0.37
 assign ((resid  37 and name HA   ))   ( (resid  40 and name HB2  ))     3.59  1.79  0.36
 assign ((resid  37 and name HA   ))   ( (resid  40 and name HB1  ))     4.21  2.41  0.42
 assign ((resid  38 and name HA   ))   ( (resid  40 and name HN   ))     4.67  2.87  0.47
 assign ((resid  38 and name HA   ))   ( (resid  41 and name HN   ))     4.35  2.55  0.44
 assign ((resid  38 and name HA   ))   ( (resid  41 and name HB2  ))     4.03  2.23  0.40
 assign ((resid  38 and name HA   ))   ( (resid  41 and name HB1  ))     5.20  3.40  0.52
 assign ((resid  39 and name HA   ))   ( (resid  41 and name HN   ))     4.01  2.21  0.40
 assign ((resid  45 and name HA   ))   ( (resid  48 and name HN   ))     4.24  2.44  0.42
 assign ((resid  45 and name HA   ))   ( (resid  48 and name HB   ))     3.71  1.91  0.37
 assign ((resid  46 and name HA   ))   ( (resid  49 and name HB1  ))     3.44  1.64  0.34
 assign ((resid  46 and name HA   ))   ( (resid  49 and name HB2  ))     3.87  2.07  0.39
 assign ((resid  46 and name HA   ))   ( (resid  50 and name HN   ))     4.49  2.69  0.45
 assign ((resid  47 and name HA   ))   ( (resid  50 and name HB   ))     3.60  1.80  0.36
 assign ((resid  47 and name HA   ))   ( (resid  51 and name HN   ))     4.73  2.93  0.47
 assign ((resid  48 and name HA   ))   ( (resid  51 and name HB1  ))     4.02  2.22  0.40
 assign ((resid  48 and name HA   ))   ( (resid  51 and name HB2  ))     4.10  2.30  0.41
 assign ((resid  34 and name HD1  ))   ( (resid  49 and name HA   ))     4.58  2.78  0.46
 assign ((resid  49 and name HA   ))   ( (resid  52 and name HB2  ))     4.85  3.05  0.48
 assign ((resid  34 and name HD2  ))   ( (resid  49 and name HA   ))     4.58  2.78  0.46
 assign ((resid  49 and name HA   ))   ( (resid  52 and name HB1  ))     4.85  3.05  0.48
 assign ((resid  50 and name HA   ))   ( (resid  52 and name HN   ))     5.15  3.35  0.52
 assign ((resid  50 and name HA   ))   ( (resid  53 and name HB2  ))     3.65  1.85  0.37
 assign ((resid  50 and name HA   ))   ( (resid  53 and name HB1  ))     3.65  1.85  0.37
 assign ((resid  51 and name HA   ))   ( (resid  54 and name HB1  ))     4.84  3.04  0.48
 assign ((resid  51 and name HA   ))   ( (resid  54 and name HB2  ))     4.22  2.42  0.42
 assign ((resid  51 and name HA   ))   ( (resid  55 and name HN   ))     4.93  3.13  0.49
 assign ((resid  52 and name HA   ))   ( (resid  55 and name HN   ))     4.27  2.47  0.43
 assign ((resid  52 and name HA   ))   ( (resid  55 and name HB2  ))     4.55  2.75  0.46
 assign ((resid  52 and name HA   ))   ( (resid  55 and name HB1  ))     4.55  2.75  0.46
 assign ((resid  52 and name HA   ))   ( (resid  52 and name HD*  ))     4.03  2.23  0.40
 assign ((resid  53 and name HA   ))   ( (resid  55 and name HN   ))     4.82  3.02  0.48
 assign ((resid  53 and name HA   ))   ( (resid  56 and name HN   ))     4.62  2.82  0.46
 assign ((resid  53 and name HA   ))   ( (resid  56 and name HB2  ))     4.78  2.98  0.48
 assign ((resid  53 and name HA   ))   ( (resid  56 and name HB1  ))     4.78  2.98  0.48
 assign ((resid  53 and name HA   ))   ( (resid  57 and name HN   ))     5.18  3.38  0.52
 assign ((resid  54 and name HA   ))   ( (resid  57 and name HB2  ))     4.05  2.25  0.41
 assign ((resid  54 and name HA   ))   ( (resid  57 and name HB1  ))     4.05  2.25  0.41
 assign ((resid  54 and name HA   ))   ( (resid  58 and name HN   ))     5.06  3.26  0.51
 assign ((resid  55 and name HA   ))   ( (resid  58 and name HB2  ))     4.83  3.03  0.48
 assign ((resid  55 and name HA   ))   ( (resid  58 and name HB1  ))     4.83  3.03  0.48
 assign ((resid  56 and name HA   ))   ( (resid  58 and name HN   ))     4.32  2.52  0.43
 assign ((resid  14 and name HA   ))   ( (resid  17 and name HG12 ))     4.37  2.57  0.44
 assign ((resid  14 and name HA   ))   ( (resid  17 and name HD1* ))     3.73  1.93  0.37
 assign ((resid  14 and name HB   ))   ( (resid  15 and name HB2  ))     4.61  2.81  0.46
 assign ((resid  46 and name HB   ))   ( (resid  50 and name HD1* ))     5.19  3.39  0.52
 assign ((resid  14 and name HG2* ))   ( (resid  18 and name HG1  ))     4.23  2.43  0.42
 assign ((resid  14 and name HG2* ))   ( (resid  18 and name HG2  ))     4.20  2.40  0.42
 assign ((resid  14 and name HG2* ))   ( (resid  17 and name HD1* ))     3.89  2.09  0.39
 assign ((resid  12 and name HN   ))   ( (resid  15 and name HB1  ))     4.61  2.81  0.46
 assign ((resid  12 and name HN   ))   ( (resid  15 and name HG2  ))     4.89  3.09  0.49
 assign ((resid  15 and name HA   ))   ( (resid  41 and name HD1* ))     4.13  2.33  0.41
 assign ((resid  15 and name HB2  ))   ( (resid  16 and name HG2* ))     5.13  3.33  0.51
 assign ((resid  15 and name HB2  ))   ( (resid  43 and name HD1* ))     5.04  3.24  0.50
 assign ((resid  11 and name HB1  ))   ( (resid  15 and name HB2  ))     4.53  2.73  0.45
 assign ((resid  15 and name HB1  ))   ( (resid  43 and name HD1* ))     5.05  3.25  0.51
 assign ((resid  15 and name HG1  ))   ( (resid  41 and name HB1  ))     4.17  2.37  0.42
 assign ((resid  15 and name HG1  ))   ( (resid  41 and name HD1* ))     3.86  2.06  0.39
 assign ((resid  15 and name HG1  ))   ( (resid  43 and name HD1* ))     4.64  2.84  0.46
 assign ((resid  15 and name HB1  ))   ( (resid  41 and name HD1* ))     5.48  3.68  0.55
 assign ((resid  15 and name HG2  ))   ( (resid  41 and name HB1  ))     4.38  2.58  0.44
 assign ((resid  15 and name HG2  ))   ( (resid  41 and name HD1* ))     4.56  2.76  0.46
 assign ((resid  16 and name HG2* ))   ( (resid  51 and name HZ2  ))     4.94  3.14  0.49
 assign ((resid  16 and name HG2* ))   ( (resid  51 and name HD1  ))     4.74  2.94  0.47
 assign ((resid  16 and name HG2* ))   ( (resid  51 and name HE1  ))     4.41  2.61  0.44
 assign ((resid  16 and name HG1* ))   ( (resid  17 and name HA   ))     4.37  2.57  0.44
 assign ((resid  13 and name HA   ))   ( (resid  16 and name HG1* ))     4.99  3.19  0.50
 assign ((resid  16 and name HG1* ))   ( (resid  20 and name HG1  ))     4.39  2.59  0.44
 assign ((resid  11 and name HB2  ))   ( (resid  16 and name HG1* ))     5.08  3.28  0.51
 assign ((resid  16 and name HG1* ))   ( (resid  19 and name HB2  ))     4.35  2.55  0.44
 assign ((resid  11 and name HB2  ))   ( (resid  16 and name HG2* ))     3.55  1.75  0.35
 assign ((resid  11 and name HG2  ))   ( (resid  16 and name HG2* ))     5.01  3.21  0.50
 assign ((resid  15 and name HG2  ))   ( (resid  16 and name HG2* ))     4.17  2.37  0.42
 assign ((resid  17 and name HA   ))   ( (resid  20 and name HG1  ))     4.91  3.11  0.49
 assign ((resid  17 and name HB   ))   ( (resid  18 and name HG2  ))     4.98  3.18  0.50
 assign ((resid  14 and name HG2* ))   ( (resid  17 and name HB   ))     5.29  3.49  0.53
 assign ((resid  14 and name HG2* ))   ( (resid  17 and name HG2* ))     4.03  2.23  0.40
 assign ((resid  17 and name HG2* ))   ( (resid  18 and name HB2  ))     5.55  3.75  0.56
 assign ((resid  17 and name HG2* ))   ( (resid  18 and name HG2  ))     4.38  2.58  0.44
 assign ((resid  17 and name HG2* ))   ( (resid  21 and name HD1  ))     4.62  2.82  0.46
 assign ((resid  14 and name HA   ))   ( (resid  17 and name HG2* ))     4.37  2.57  0.44
 assign ((resid  14 and name HA   ))   ( (resid  17 and name HG11 ))     4.37  2.57  0.44
 assign ((resid  16 and name HN   ))   ( (resid  17 and name HD1* ))     5.21  3.41  0.52
 assign ((resid  17 and name HG2* ))   ( (resid  18 and name HA   ))     4.03  2.23  0.40
 assign ((resid  18 and name HA   ))   ( (resid  41 and name HD1* ))     5.17  3.37  0.52
 assign ((resid  18 and name HA   ))   ( (resid  41 and name HD2* ))     5.43  3.63  0.54
 assign ((resid  18 and name HB1  ))   ( (resid  41 and name HD2* ))     3.53  1.73  0.35
 assign ((resid  18 and name HG2  ))   ( (resid  41 and name HD2* ))     3.89  2.09  0.39
 assign ((resid  14 and name HG2* ))   ( (resid  18 and name HB2  ))     5.35  3.55  0.54
 assign ((resid  15 and name HA   ))   ( (resid  18 and name HG2  ))     5.34  3.54  0.53
 assign ((resid  15 and name HA   ))   ( (resid  18 and name HG1  ))     4.19  2.39  0.42
 assign ((resid  18 and name HA   ))   ( (resid  21 and name HD2  ))     4.71  2.91  0.47
 assign ((resid  19 and name HD2* ))   ( (resid  52 and name HD*  ))     4.28  2.48  0.43
 assign ((resid  19 and name HD2* ))   ( (resid  52 and name HE*  ))     3.40  1.60  0.34
 assign ((resid  19 and name HD2* ))   ( (resid  51 and name HD1  ))     5.32  3.52  0.53
 assign ((resid  19 and name HD2* ))   ( (resid  52 and name HZ   ))     5.48  3.68  0.55
 assign ((resid  19 and name HD2* ))   ( (resid  51 and name HE3  ))     4.44  2.64  0.44
 assign ((resid  19 and name HA   ))   ( (resid  52 and name HE*  ))     4.82  3.02  0.48
 assign ((resid  19 and name HA   ))   ( (resid  52 and name HZ   ))     4.99  3.19  0.50
 assign ((resid  19 and name HA   ))   ( (resid  23 and name HN   ))     5.99  4.19  0.60
 assign ((resid  19 and name HA   ))   ( (resid  37 and name HD2* ))     4.22  2.42  0.42
 assign ((resid  19 and name HA   ))   ( (resid  22 and name HG2  ))     5.18  3.38  0.52
 assign ((resid  19 and name HG   ))   ( (resid  43 and name HD1* ))     4.40  2.60  0.44
 assign ((resid  16 and name HA   ))   ( (resid  19 and name HG   ))     5.06  3.26  0.51
 assign ((resid  19 and name HD2* ))   ( (resid  52 and name HA   ))     5.85  4.05  0.58
 assign ((resid  19 and name HD2* ))   ( (resid  51 and name HB1  ))     4.84  3.04  0.48
 assign ((resid  19 and name HD2* ))   ( (resid  51 and name HB2  ))     4.83  3.03  0.48
 assign ((resid  19 and name HD2* ))   ( (resid  37 and name HD2* ))     2.98  1.18  0.30
 assign ((resid  17 and name HA   ))   ( (resid  20 and name HG2  ))     4.91  3.11  0.49
 assign ((resid  16 and name HG1* ))   ( (resid  20 and name HG2  ))     4.39  2.59  0.44
 assign ((resid  17 and name HG2* ))   ( (resid  21 and name HD2  ))     4.62  2.82  0.46
 assign ((resid  18 and name HA   ))   ( (resid  21 and name HD1  ))     4.71  2.91  0.47
 assign ((resid  22 and name HB2  ))   ( (resid  52 and name HZ   ))     4.49  2.69  0.45
 assign ((resid  22 and name HB1  ))   ( (resid  52 and name HZ   ))     4.49  2.69  0.45
 assign ((resid  22 and name HG2  ))   ( (resid  52 and name HE*  ))     5.22  3.42  0.52
 assign ((resid  22 and name HG2  ))   ( (resid  52 and name HZ   ))     4.19  2.39  0.42
 assign ((resid  22 and name HA   ))   ( (resid  37 and name HD2* ))     5.16  3.36  0.52
 assign ((resid  22 and name HB2  ))   ( (resid  37 and name HD2* ))     4.55  2.75  0.46
 assign ((resid  22 and name HB1  ))   ( (resid  37 and name HD2* ))     4.55  2.75  0.46
 assign ((resid  22 and name HG1  ))   ( (resid  37 and name HD2* ))     4.29  2.49  0.43
 assign ((resid  22 and name HD2  ))   ( (resid  29 and name HD2* ))     4.82  3.02  0.48
 assign ((resid  22 and name HD1  ))   ( (resid  29 and name HD2* ))     4.82  3.02  0.48
 assign ((resid  22 and name HA   ))   ( (resid  25 and name HB1  ))     4.94  3.14  0.49
 assign ((resid  23 and name HB2  ))   ( (resid  51 and name HZ3  ))     4.62  2.82  0.46
 assign ((resid  23 and name HB1  ))   ( (resid  51 and name HZ3  ))     4.62  2.82  0.46
 assign ((resid  22 and name HA   ))   ( (resid  25 and name HB2  ))     4.94  3.14  0.49
 assign ((resid  25 and name HB1  ))   ( (resid  26 and name HG2  ))     5.37  3.57  0.54
 assign ((resid  25 and name HB1  ))   ( (resid  26 and name HB1  ))     5.28  3.48  0.53
 assign ((resid  25 and name HB2  ))   ( (resid  26 and name HG2  ))     5.37  3.57  0.54
 assign ((resid  25 and name HB2  ))   ( (resid  26 and name HB1  ))     5.28  3.48  0.53
 assign ((resid  25 and name HA   ))   ( (resid  26 and name HB1  ))     4.97  3.17  0.50
 assign ((resid  26 and name HG1  ))   ( (resid  29 and name HA   ))     4.57  2.77  0.46
 assign ((resid  25 and name HA   ))   ( (resid  26 and name HG2  ))     5.52  3.72  0.55
 assign ((resid  26 and name HB2  ))   ( (resid  29 and name HA   ))     5.37  3.57  0.54
 assign ((resid  26 and name HB2  ))   ( (resid  29 and name HD2* ))     5.26  3.46  0.53
 assign ((resid  26 and name HB1  ))   ( (resid  29 and name HD2* ))     5.67  3.87  0.57
 assign ((resid  26 and name HG2  ))   ( (resid  29 and name HD2* ))     4.01  2.21  0.40
 assign ((resid  26 and name HG1  ))   ( (resid  29 and name HD2* ))     4.25  2.45  0.43
 assign ((resid  27 and name HB2  ))   ( (resid  56 and name HD2  ))     6.00  4.20  0.60
 assign ((resid  27 and name HA   ))   ( (resid  52 and name HD*  ))     4.82  3.02  0.48
 assign ((resid  23 and name HZ   ))   ( (resid  27 and name HA   ))     4.87  3.07  0.49
 assign ((resid  23 and name HE*  ))   ( (resid  27 and name HB1  ))     4.84  3.04  0.48
 assign ((resid  23 and name HZ   ))   ( (resid  27 and name HB1  ))     5.16  3.36  0.52
 assign ((resid  29 and name HB1  ))   ( (resid  34 and name HG1  ))     4.73  2.93  0.47
 assign ((resid  29 and name HB1  ))   ( (resid  33 and name HB1  ))     4.45  2.65  0.44
 assign ((resid  29 and name HB1  ))   ( (resid  34 and name HB2  ))     4.58  2.78  0.46
 assign ((resid  29 and name HB1  ))   ( (resid  33 and name HB2  ))     3.99  2.19  0.40
 assign ((resid  29 and name HB2  ))   ( (resid  34 and name HG1  ))     4.74  2.94  0.47
 assign ((resid  29 and name HB2  ))   ( (resid  34 and name HB2  ))     4.00  2.20  0.40
 assign ((resid  26 and name HG1  ))   ( (resid  29 and name HB2  ))     5.58  3.78  0.56
 assign ((resid  22 and name HG2  ))   ( (resid  29 and name HD1* ))     5.05  3.25  0.51
 assign ((resid  29 and name HD2* ))   ( (resid  37 and name HD2* ))     3.96  2.16  0.40
 assign ((resid  22 and name HG1  ))   ( (resid  29 and name HD2* ))     3.85  2.05  0.38
 assign ((resid  29 and name HD2* ))   ( (resid  33 and name HB1  ))     3.85  2.05  0.38
 assign ((resid  29 and name HB1  ))   ( (resid  34 and name HA   ))     4.96  3.16  0.50
 assign ((resid  29 and name HG   ))   ( (resid  34 and name HA   ))     5.12  3.32  0.51
 assign ((resid  29 and name HD2* ))   ( (resid  34 and name HA   ))     4.82  3.02  0.48
 assign ((resid  29 and name HB2  ))   ( (resid  34 and name HN   ))     4.78  2.98  0.48
 assign ((resid  29 and name HD1* ))   ( (resid  52 and name HD*  ))     5.19  3.39  0.52
 assign ((resid  29 and name HD1* ))   ( (resid  52 and name HZ   ))     4.67  2.87  0.47
 assign ((resid  29 and name HD2* ))   ( (resid  52 and name HD*  ))     5.62  3.82  0.56
 assign ((resid  29 and name HD2* ))   ( (resid  52 and name HE*  ))     4.40  2.60  0.44
 assign ((resid  29 and name HD2* ))   ( (resid  52 and name HZ   ))     4.23  2.43  0.42
 assign ((resid  22 and name HN   ))   ( (resid  29 and name HD2* ))     6.00  4.20  0.60
 assign ((resid  29 and name HD2* ))   ( (resid  37 and name HN   ))     6.00  4.20  0.60
 assign ((resid  30 and name HB2  ))   ( (resid  33 and name HB2  ))     5.19  3.39  0.52
 assign ((resid  30 and name HB2  ))   ( (resid  31 and name HB*  ))     4.94  3.14  0.49
 assign ((resid  30 and name HB1  ))   ( (resid  32 and name HD1  ))     4.38  2.58  0.44
 assign ((resid  30 and name HB1  ))   ( (resid  33 and name HB2  ))     5.19  3.39  0.52
 assign ((resid  30 and name HB1  ))   ( (resid  31 and name HB*  ))     4.94  3.14  0.49
 assign ((resid  31 and name HB*  ))   ( (resid  32 and name HD2  ))     2.92  1.12  0.29
 assign ((resid  31 and name HB*  ))   ( (resid  32 and name HG1  ))     4.41  2.61  0.44
 assign ((resid  31 and name HB*  ))   ( (resid  32 and name HG2  ))     4.41  2.61  0.44
 assign ((resid  31 and name HB*  ))   ( (resid  32 and name HA   ))     4.87  3.07  0.49
 assign ((resid  30 and name HA   ))   ( (resid  31 and name HB*  ))     4.73  2.93  0.47
 assign ((resid  31 and name HB*  ))   ( (resid  34 and name HN   ))     5.32  3.52  0.53
 assign ((resid  31 and name HB*  ))   ( (resid  35 and name HN   ))     5.37  3.57  0.54
 assign ((resid  31 and name HB*  ))   ( (resid  32 and name HD1  ))     3.48  1.68  0.35
 assign ((resid  30 and name HB2  ))   ( (resid  32 and name HD1  ))     4.38  2.58  0.44
 assign ((resid  31 and name HA   ))   ( (resid  32 and name HD1  ))     4.07  2.27  0.41
 assign ((resid  30 and name HB1  ))   ( (resid  32 and name HD2  ))     4.45  2.65  0.44
 assign ((resid  29 and name HB2  ))   ( (resid  33 and name HB2  ))     5.19  3.39  0.52
 assign ((resid  29 and name HD2* ))   ( (resid  33 and name HA   ))     4.80  3.00  0.48
 assign ((resid  29 and name HD1* ))   ( (resid  33 and name HB1  ))     4.45  2.65  0.44
 assign ((resid  29 and name HB2  ))   ( (resid  33 and name HB1  ))     5.03  3.23  0.50
 assign ((resid  29 and name HD2* ))   ( (resid  33 and name HB2  ))     4.39  2.59  0.44
 assign ((resid  29 and name HD2* ))   ( (resid  33 and name HG2  ))     4.97  3.17  0.50
 assign ((resid  29 and name HD2* ))   ( (resid  33 and name HG1  ))     4.97  3.17  0.50
 assign ((resid  29 and name HB2  ))   ( (resid  34 and name HA   ))     4.35  2.55  0.44
 assign ((resid  34 and name HB1  ))   ( (resid  35 and name HB*  ))     4.27  2.47  0.43
 assign ((resid  29 and name HB1  ))   ( (resid  34 and name HB1  ))     4.51  2.71  0.45
 assign ((resid  29 and name HD1* ))   ( (resid  34 and name HB1  ))     4.77  2.97  0.48
 assign ((resid  29 and name HD1* ))   ( (resid  34 and name HA   ))     3.49  1.69  0.35
 assign ((resid  29 and name HD1* ))   ( (resid  34 and name HB2  ))     4.81  3.01  0.48
 assign ((resid  29 and name HD1* ))   ( (resid  34 and name HG1  ))     4.93  3.13  0.49
 assign ((resid  34 and name HG2  ))   ( (resid  48 and name HG1* ))     4.52  2.72  0.45
 assign ((resid  29 and name HD1* ))   ( (resid  34 and name HG2  ))     5.15  3.35  0.52
 assign ((resid  34 and name HD2  ))   ( (resid  48 and name HG1* ))     4.65  2.85  0.47
 assign ((resid  34 and name HD1  ))   ( (resid  48 and name HG1* ))     4.65  2.85  0.47
 assign ((resid  34 and name HD1  ))   ( (resid  45 and name HG2  ))     5.45  3.65  0.55
 assign ((resid  34 and name HD1  ))   ( (resid  48 and name HB   ))     4.88  3.08  0.49
 assign ((resid  34 and name HD2  ))   ( (resid  48 and name HB   ))     4.88  3.08  0.49
 assign ((resid  34 and name HN   ))   ( (resid  35 and name HB*  ))     4.79  2.99  0.48
 assign ((resid  35 and name HA   ))   ( (resid  45 and name HA   ))     4.64  2.84  0.46
 assign ((resid  34 and name HB1  ))   ( (resid  35 and name HA   ))     5.06  3.26  0.51
 assign ((resid  35 and name HA   ))   ( (resid  39 and name HB1  ))     5.69  3.89  0.57
 assign ((resid  35 and name HA   ))   ( (resid  45 and name HG2  ))     3.31  1.51  0.33
 assign ((resid  35 and name HA   ))   ( (resid  45 and name HG1  ))     3.89  2.09  0.39
 assign ((resid  35 and name HB*  ))   ( (resid  45 and name HG2  ))     4.05  2.25  0.41
 assign ((resid  34 and name HG2  ))   ( (resid  35 and name HB*  ))     4.64  2.84  0.46
 assign ((resid  35 and name HB*  ))   ( (resid  38 and name HB*  ))     4.93  3.13  0.49
 assign ((resid  36 and name HA   ))   ( (resid  39 and name HD2  ))     4.78  2.98  0.48
 assign ((resid  36 and name HA   ))   ( (resid  39 and name HD1  ))     4.78  2.98  0.48
 assign ((resid  36 and name HA   ))   ( (resid  39 and name HG2  ))     3.95  2.15  0.40
 assign ((resid  37 and name HA   ))   ( (resid  41 and name HD2* ))     5.94  4.14  0.59
 assign ((resid  37 and name HB1  ))   ( (resid  41 and name HD1* ))     5.28  3.48  0.53
 assign ((resid  29 and name HD1* ))   ( (resid  37 and name HB1  ))     5.00  3.20  0.50
 assign ((resid  29 and name HD1* ))   ( (resid  37 and name HB2  ))     4.99  3.19  0.50
 assign ((resid  37 and name HD2* ))   ( (resid  41 and name HD1* ))     4.03  2.23  0.40
 assign ((resid  29 and name HD1* ))   ( (resid  37 and name HD2* ))     3.75  1.95  0.38
 assign ((resid  37 and name HD1* ))   ( (resid  41 and name HD1* ))     3.18  1.38  0.32
 assign ((resid  19 and name HD2* ))   ( (resid  37 and name HD1* ))     3.68  1.88  0.37
 assign ((resid  29 and name HD1* ))   ( (resid  37 and name HD1* ))     4.19  2.39  0.42
 assign ((resid  19 and name HD2* ))   ( (resid  37 and name HG   ))     4.46  2.66  0.45
 assign ((resid  37 and name HD1* ))   ( (resid  40 and name HB2  ))     4.20  2.40  0.42
 assign ((resid  22 and name HE1  ))   ( (resid  37 and name HD1* ))     4.74  2.94  0.47
 assign ((resid  34 and name HA   ))   ( (resid  37 and name HD2* ))     5.16  3.36  0.52
 assign ((resid  37 and name HA   ))   ( (resid  41 and name HG   ))     4.92  3.12  0.49
 assign ((resid  37 and name HD2* ))   ( (resid  52 and name HZ   ))     4.66  2.86  0.47
 assign ((resid  38 and name HB*  ))   ( (resid  44 and name HN   ))     5.04  3.24  0.50
 assign ((resid  38 and name HA   ))   ( (resid  43 and name HG   ))     4.98  3.18  0.50
 assign ((resid  38 and name HA   ))   ( (resid  43 and name HB2  ))     3.61  1.81  0.36
 assign ((resid  38 and name HA   ))   ( (resid  43 and name HD1* ))     4.22  2.42  0.42
 assign ((resid  38 and name HB*  ))   ( (resid  48 and name HG2* ))     2.95  1.15  0.30
 assign ((resid  37 and name HB1  ))   ( (resid  38 and name HB*  ))     4.99  3.19  0.50
 assign ((resid  38 and name HB*  ))   ( (resid  45 and name HG2  ))     4.10  2.30  0.41
 assign ((resid  38 and name HB*  ))   ( (resid  48 and name HB   ))     4.29  2.49  0.43
 assign ((resid  34 and name HA   ))   ( (resid  38 and name HB*  ))     4.87  3.07  0.49
 assign ((resid  38 and name HB*  ))   ( (resid  44 and name HA   ))     4.23  2.43  0.42
 assign ((resid  38 and name HB*  ))   ( (resid  43 and name HB1  ))     4.26  2.46  0.43
 assign ((resid  38 and name HN   ))   ( (resid  39 and name HB1  ))     5.09  3.29  0.51
 assign ((resid  38 and name HB*  ))   ( (resid  39 and name HA   ))     4.18  2.38  0.42
 assign ((resid  39 and name HB2  ))   ( (resid  40 and name HA   ))     4.91  3.11  0.49
 assign ((resid  39 and name HG1  ))   ( (resid  40 and name HA   ))     4.26  2.46  0.43
 assign ((resid  40 and name HA   ))   ( (resid  41 and name HD2* ))     4.52  2.72  0.45
 assign ((resid  40 and name HB2  ))   ( (resid  41 and name HG   ))     4.53  2.73  0.45
 assign ((resid  40 and name HB2  ))   ( (resid  41 and name HD2* ))     4.75  2.95  0.47
 assign ((resid  40 and name HB1  ))   ( (resid  41 and name HG   ))     4.42  2.62  0.44
 assign ((resid  37 and name HD1* ))   ( (resid  40 and name HB1  ))     4.38  2.58  0.44
 assign ((resid  15 and name HE21 ))   ( (resid  41 and name HB1  ))     4.68  2.88  0.47
 assign ((resid  18 and name HN   ))   ( (resid  41 and name HD2* ))     4.71  2.91  0.47
 assign ((resid  19 and name HN   ))   ( (resid  41 and name HD1* ))     4.60  2.80  0.46
 assign ((resid  15 and name HE21 ))   ( (resid  41 and name HD1* ))     5.59  3.79  0.56
 assign ((resid  18 and name HN   ))   ( (resid  41 and name HD1* ))     5.17  3.37  0.52
 assign ((resid  41 and name HD1* ))   ( (resid  52 and name HE*  ))     5.97  4.17  0.60
 assign ((resid  15 and name HG1  ))   ( (resid  41 and name HB2  ))     4.55  2.75  0.46
 assign ((resid  15 and name HA   ))   ( (resid  41 and name HD2* ))     3.73  1.93  0.37
 assign ((resid  40 and name HB1  ))   ( (resid  41 and name HD2* ))     4.56  2.76  0.46
 assign ((resid  15 and name HB2  ))   ( (resid  41 and name HD2* ))     5.47  3.67  0.55
 assign ((resid  15 and name HG2  ))   ( (resid  41 and name HD2* ))     5.81  4.01  0.58
 assign ((resid  18 and name HG1  ))   ( (resid  41 and name HD2* ))     3.50  1.70  0.35
 assign ((resid  18 and name HB2  ))   ( (resid  41 and name HD2* ))     3.48  1.68  0.35
 assign ((resid  37 and name HA   ))   ( (resid  41 and name HD1* ))     4.96  3.16  0.50
 assign ((resid  38 and name HA   ))   ( (resid  41 and name HD1* ))     5.31  3.51  0.53
 assign ((resid  18 and name HB2  ))   ( (resid  41 and name HD1* ))     3.87  2.07  0.39
 assign ((resid  18 and name HB1  ))   ( (resid  41 and name HD1* ))     4.39  2.59  0.44
 assign ((resid  37 and name HD1* ))   ( (resid  41 and name HD2* ))     3.82  2.02  0.38
 assign ((resid  19 and name HG   ))   ( (resid  41 and name HB1  ))     5.17  3.37  0.52
 assign ((resid  41 and name HB1  ))   ( (resid  43 and name HB2  ))     5.45  3.65  0.55
 assign ((resid  37 and name HD1* ))   ( (resid  41 and name HB1  ))     6.00  4.20  0.60
 assign ((resid  41 and name HB1  ))   ( (resid  48 and name HG2* ))     6.00  4.20  0.60
 assign ((resid  41 and name HB1  ))   ( (resid  43 and name HD2* ))     4.72  2.92  0.47
 assign ((resid  15 and name HE21 ))   ( (resid  42 and name HB1  ))     6.00  4.20  0.60
 assign ((resid  38 and name HB*  ))   ( (resid  43 and name HB2  ))     4.18  2.38  0.42
 assign ((resid  43 and name HB2  ))   ( (resid  47 and name HB1  ))     5.01  3.21  0.50
 assign ((resid  43 and name HB1  ))   ( (resid  48 and name HG2* ))     3.94  2.14  0.39
 assign ((resid  43 and name HB1  ))   ( (resid  47 and name HB1  ))     4.77  2.97  0.48
 assign ((resid  19 and name HD2* ))   ( (resid  43 and name HD1* ))     3.68  1.88  0.37
 assign ((resid  43 and name HD1* ))   ( (resid  48 and name HG2* ))     3.47  1.67  0.35
 assign ((resid  15 and name HG2  ))   ( (resid  43 and name HD1* ))     5.02  3.22  0.50
 assign ((resid  43 and name HB2  ))   ( (resid  47 and name HB2  ))     4.61  2.81  0.46
 assign ((resid  38 and name HA   ))   ( (resid  43 and name HB1  ))     4.26  2.46  0.43
 assign ((resid  11 and name HG2  ))   ( (resid  43 and name HD2* ))     3.92  2.12  0.39
 assign ((resid  43 and name HN   ))   ( (resid  44 and name HG2* ))     5.08  3.28  0.51
 assign ((resid  23 and name HZ   ))   ( (resid  59 and name HG2* ))     4.54  2.74  0.45
 assign ((resid  44 and name HG2* ))   ( (resid  47 and name HB2  ))     5.36  3.56  0.54
 assign ((resid  34 and name HG2  ))   ( (resid  45 and name HA   ))     3.53  1.73  0.35
 assign ((resid  38 and name HB*  ))   ( (resid  45 and name HA   ))     3.76  1.96  0.38
 assign ((resid  45 and name HA   ))   ( (resid  48 and name HG2* ))     3.99  2.19  0.40
 assign ((resid  34 and name HG2  ))   ( (resid  45 and name HB1  ))     4.24  2.44  0.42
 assign ((resid  35 and name HB*  ))   ( (resid  45 and name HG1  ))     4.58  2.78  0.46
 assign ((resid  38 and name HB*  ))   ( (resid  45 and name HG1  ))     3.68  1.88  0.37
 assign ((resid  34 and name HG2  ))   ( (resid  45 and name HG2  ))     3.64  1.84  0.36
 assign ((resid  34 and name HG1  ))   ( (resid  45 and name HG2  ))     5.00  3.20  0.50
 assign ((resid  34 and name HG1  ))   ( (resid  45 and name HG1  ))     5.54  3.74  0.55
 assign ((resid  34 and name HG1  ))   ( (resid  45 and name HA   ))     4.95  3.15  0.49
 assign ((resid  35 and name HA   ))   ( (resid  45 and name HB1  ))     5.79  3.99  0.58
 assign ((resid  35 and name HA   ))   ( (resid  45 and name HB2  ))     6.00  4.20  0.60
 assign ((resid  44 and name HB   ))   ( (resid  45 and name HB2  ))     5.05  3.25  0.51
 assign ((resid  44 and name HA   ))   ( (resid  45 and name HG1  ))     5.20  3.40  0.52
 assign ((resid  34 and name HD2  ))   ( (resid  45 and name HG2  ))     5.45  3.65  0.55
 assign ((resid  46 and name HA   ))   ( (resid  50 and name HG11 ))     4.89  3.09  0.49
 assign ((resid  46 and name HG2* ))   ( (resid  50 and name HG11 ))     3.58  1.78  0.36
 assign ((resid  46 and name HG2* ))   ( (resid  50 and name HD1* ))     3.27  1.47  0.33
 assign ((resid  46 and name HG2* ))   ( (resid  47 and name HA   ))     4.22  2.42  0.42
 assign ((resid  43 and name HB1  ))   ( (resid  47 and name HB2  ))     4.39  2.59  0.44
 assign ((resid  43 and name HD2* ))   ( (resid  47 and name HB2  ))     4.61  2.81  0.46
 assign ((resid  43 and name HD1* ))   ( (resid  47 and name HB2  ))     5.28  3.48  0.53
 assign ((resid  43 and name HD1* ))   ( (resid  47 and name HB1  ))     4.57  2.77  0.46
 assign ((resid  47 and name HB1  ))   ( (resid  48 and name HG2* ))     4.99  3.19  0.50
 assign ((resid  43 and name HD2* ))   ( (resid  47 and name HG1  ))     5.38  3.58  0.54
 assign ((resid  44 and name HN   ))   ( (resid  47 and name HB1  ))     4.12  2.32  0.41
 assign ((resid  44 and name HN   ))   ( (resid  47 and name HG2  ))     4.80  3.00  0.48
 assign ((resid  48 and name HA   ))   ( (resid  50 and name HB   ))     5.63  3.83  0.56
 assign ((resid  34 and name HG2  ))   ( (resid  48 and name HB   ))     4.53  2.73  0.45
 assign ((resid  34 and name HG1  ))   ( (resid  48 and name HB   ))     4.31  2.51  0.43
 assign ((resid  48 and name HB   ))   ( (resid  49 and name HB2  ))     4.88  3.08  0.49
 assign ((resid  34 and name HG1  ))   ( (resid  48 and name HG1* ))     3.70  1.90  0.37
 assign ((resid  38 and name HB*  ))   ( (resid  48 and name HG1* ))     4.86  3.06  0.49
 assign ((resid  43 and name HB2  ))   ( (resid  48 and name HG2* ))     3.60  1.80  0.36
 assign ((resid  43 and name HD1* ))   ( (resid  48 and name HA   ))     4.87  3.07  0.49
 assign ((resid  19 and name HD2* ))   ( (resid  48 and name HA   ))     4.66  2.86  0.47
 assign ((resid  19 and name HD1* ))   ( (resid  48 and name HA   ))     5.07  3.27  0.51
 assign ((resid  29 and name HD1* ))   ( (resid  48 and name HG1* ))     3.58  1.78  0.36
 assign ((resid  48 and name HG1* ))   ( (resid  49 and name HA   ))     4.22  2.42  0.42
 assign ((resid  46 and name HG2* ))   ( (resid  49 and name HB1  ))     4.73  2.93  0.47
 assign ((resid  46 and name HG2* ))   ( (resid  49 and name HB2  ))     5.02  3.22  0.50
 assign ((resid  34 and name HD2  ))   ( (resid  49 and name HB2  ))     4.33  2.53  0.43
 assign ((resid  47 and name HN   ))   ( (resid  50 and name HD1* ))     5.25  3.45  0.53
 assign ((resid  47 and name HA   ))   ( (resid  50 and name HG2* ))     4.74  2.94  0.47
 assign ((resid  47 and name HA   ))   ( (resid  50 and name HD1* ))     4.18  2.38  0.42
 assign ((resid  49 and name HE2  ))   ( (resid  50 and name HD1* ))     6.00  4.20  0.60
 assign ((resid  49 and name HE1  ))   ( (resid  50 and name HD1* ))     6.00  4.20  0.60
 assign ((resid  49 and name HB1  ))   ( (resid  50 and name HD1* ))     4.51  2.71  0.45
 assign ((resid  49 and name HB1  ))   ( (resid  50 and name HG12 ))     5.00  3.20  0.50
 assign ((resid  49 and name HB1  ))   ( (resid  50 and name HB   ))     5.21  3.41  0.52
 assign ((resid  50 and name HB   ))   ( (resid  51 and name HA   ))     5.43  3.63  0.54
 assign ((resid  50 and name HB   ))   ( (resid  51 and name HB1  ))     5.92  4.12  0.59
 assign ((resid  50 and name HB   ))   ( (resid  51 and name HB2  ))     4.69  2.89  0.47
 assign ((resid  48 and name HG2* ))   ( (resid  51 and name HB2  ))     5.54  3.74  0.55
 assign ((resid  50 and name HG2* ))   ( (resid  51 and name HB2  ))     5.86  4.06  0.59
 assign ((resid  48 and name HG2* ))   ( (resid  51 and name HB1  ))     5.10  3.30  0.51
 assign ((resid  50 and name HG2* ))   ( (resid  51 and name HA   ))     4.29  2.49  0.43
 assign ((resid  51 and name HB1  ))   ( (resid  52 and name HD*  ))     5.08  3.28  0.51
 assign ((resid  23 and name HA   ))   ( (resid  52 and name HZ   ))     5.10  3.30  0.51
 assign ((resid  22 and name HG1  ))   ( (resid  52 and name HZ   ))     4.14  2.34  0.41
 assign ((resid  50 and name HA   ))   ( (resid  53 and name HA   ))     5.59  3.79  0.56
 assign ((resid  50 and name HG2* ))   ( (resid  54 and name HB1  ))     5.36  3.56  0.54
 assign ((resid  50 and name HG2* ))   ( (resid  54 and name HB2  ))     4.99  3.19  0.50
 assign ((resid  53 and name HA   ))   ( (resid  54 and name HA   ))     5.02  3.22  0.50
 assign ((resid  58 and name HA   ))   ( (resid  59 and name HA   ))     5.00  3.20  0.50
 assign ((resid  19 and name HD1* ))   ( (resid  43 and name HD1* ))     3.78  1.98  0.38
 assign ((resid  35 and name HB*  ))   ( (resid  36 and name HB2  ))     5.42  3.62  0.54
 assign ((resid  35 and name HB*  ))   ( (resid  36 and name HB1  ))     5.42  3.62  0.54
 assign ((resid  11 and name HB1  ))   ( (resid  15 and name HB1  ))     4.27  2.47  0.43
 assign ((resid  11 and name HB1  ))   ( (resid  16 and name HG2* ))     3.66  1.86  0.37
 assign ((resid  11 and name HB1  ))   ( (resid  43 and name HD2* ))     5.08  3.28  0.51
 assign ((resid  11 and name HB2  ))   ( (resid  15 and name HB1  ))     4.90  3.10  0.49
 assign ((resid  11 and name HB2  ))   ( (resid  43 and name HD2* ))     5.55  3.75  0.56
 assign ((resid  11 and name HG2  ))   ( (resid  43 and name HD1* ))     4.93  3.13  0.49
 assign ((resid  11 and name HG1  ))   ( (resid  16 and name HG2* ))     5.01  3.21  0.50
 assign ((resid  11 and name HG1  ))   ( (resid  43 and name HD1* ))     4.93  3.13  0.49
 assign ((resid  11 and name HA   ))   ( (resid  11 and name HG1  ))     3.76  1.96  0.38
 assign ((resid  11 and name HN   ))   ( (resid  11 and name HG2  ))     4.84  3.04  0.48
 assign ((resid  11 and name HG1  ))   ( (resid  12 and name HN   ))     5.32  3.52  0.53
 assign ((resid  12 and name HB1  ))   ( (resid  15 and name HB2  ))     5.09  3.29  0.51
 assign ((resid  13 and name HA   ))   ( (resid  16 and name HG2* ))     3.58  1.78  0.36
 assign ((resid  23 and name HB2  ))   ( (resid  52 and name HE*  ))     5.30  3.50  0.53
 assign ((resid  23 and name HB1  ))   ( (resid  52 and name HE*  ))     5.30  3.50  0.53
 assign ((resid  19 and name HD1* ))   ( (resid  51 and name HB1  ))     4.81  3.01  0.48
 assign ((resid  19 and name HD1* ))   ( (resid  51 and name HB2  ))     4.89  3.09  0.49
 assign ((resid  55 and name HA   ))   ( (resid  55 and name HD2  ))     4.32  2.52  0.43
 assign ((resid  16 and name HG2* ))   ( (resid  17 and name HA   ))     5.52  3.72  0.55
 assign ((resid  16 and name HG2* ))   ( (resid  19 and name HB2  ))     6.00  4.20  0.60
 assign ((resid  41 and name HD1* ))   ( (resid  48 and name HG1* ))     6.00  4.20  0.60
 assign ((resid  16 and name HG2* ))   ( (resid  19 and name HD1* ))     4.34  2.54  0.43
 assign ((resid  19 and name HB1  ))   ( (resid  48 and name HG1* ))     5.00  3.20  0.50
 assign ((resid  16 and name HG1* ))   ( (resid  19 and name HD1* ))     4.72  2.92  0.47
 assign ((resid  16 and name HA   ))   ( (resid  19 and name HD1* ))     3.78  1.98  0.38
 assign ((resid  18 and name HB2  ))   ( (resid  19 and name HG   ))     5.37  3.57  0.54
 assign ((resid  20 and name HA   ))   ( (resid  51 and name HZ3  ))     4.83  3.03  0.48
 assign ((resid  22 and name HE2  ))   ( (resid  37 and name HD1* ))     4.74  2.94  0.47
 assign ((resid  22 and name HE2  ))   ( (resid  37 and name HD2* ))     4.73  2.93  0.47
 assign ((resid  22 and name HE2  ))   ( (resid  29 and name HD2* ))     4.18  2.38  0.42
 assign ((resid  22 and name HE1  ))   ( (resid  37 and name HD2* ))     4.73  2.93  0.47
 assign ((resid  26 and name HB2  ))   ( (resid  28 and name HN   ))     4.44  2.64  0.44
 assign ((resid  26 and name HG1  ))   ( (resid  28 and name HN   ))     4.07  2.27  0.41
 assign ((resid  29 and name HA   ))   ( (resid  33 and name HB1  ))     4.84  3.04  0.48
 assign ((resid  29 and name HA   ))   ( (resid  33 and name HB2  ))     5.58  3.78  0.56
 assign ((resid  30 and name HA   ))   ( (resid  33 and name HB2  ))     5.89  4.09  0.59
 assign ((resid  36 and name HA   ))   ( (resid  39 and name HG1  ))     4.61  2.81  0.46
 assign ((resid  36 and name HA   ))   ( (resid  39 and name HE2  ))     5.93  4.13  0.59
 assign ((resid  36 and name HA   ))   ( (resid  39 and name HE1  ))     5.93  4.13  0.59
 assign ((resid  37 and name HD1* ))   ( (resid  41 and name HG   ))     3.50  1.70  0.35
 assign ((resid  18 and name HB1  ))   ( (resid  37 and name HD1* ))     4.45  2.65  0.44
 assign ((resid  48 and name HG1* ))   ( (resid  52 and name HD*  ))     3.65  1.85  0.37
 assign ((resid  51 and name HZ3  ))   ( (resid  52 and name HA   ))     5.00  3.20  0.50
 assign ((resid  51 and name HE3  ))   ( (resid  52 and name HA   ))     3.72  1.92  0.37
 assign ((resid  23 and name HD*  ))   ( (resid  52 and name HA   ))     4.68  2.88  0.47
 assign ((resid  23 and name HE*  ))   ( (resid  52 and name HA   ))     5.08  3.28  0.51
 assign ((resid  52 and name HA   ))   ( (resid  52 and name HE*  ))     5.25  3.45  0.53
 assign ((resid  44 and name HB   ))   ( (resid  46 and name HB   ))     3.90  2.10  0.39
 assign ((resid  10 and name HB2  ))   ( (resid  11 and name HN   ))     5.23  3.43  0.52
 assign ((resid  12 and name HB2  ))   ( (resid  15 and name HB2  ))     5.09  3.29  0.51
 assign ((resid  18 and name HG1  ))   ( (resid  37 and name HD1* ))     6.00  4.20  0.60
 assign ((resid  17 and name HG2* ))   ( (resid  21 and name HG2  ))     4.84  3.04  0.48
 assign ((resid  17 and name HG2* ))   ( (resid  21 and name HG1  ))     4.84  3.04  0.48
 assign ((resid  17 and name HG2* ))   ( (resid  21 and name HB2  ))     4.78  2.98  0.48
 assign ((resid  22 and name HG1  ))   ( (resid  29 and name HD1* ))     5.05  3.25  0.51
 assign ((resid  22 and name HE1  ))   ( (resid  29 and name HD2* ))     4.18  2.38  0.42
 assign ((resid  19 and name HD1* ))   ( (resid  41 and name HD1* ))     4.81  3.01  0.48
 assign ((resid  19 and name HD2* ))   ( (resid  41 and name HD2* ))     4.78  2.98  0.48
 assign ((resid  41 and name HB1  ))   ( (resid  43 and name HD1* ))     3.57  1.77  0.36
 assign ((resid  41 and name HB2  ))   ( (resid  43 and name HD1* ))     3.59  1.79  0.36
 assign ((resid  68 and name HN   ))   ( (resid  68 and name HD1* ))     5.49  3.69  0.55
 assign ((resid  68 and name HN   ))   ( (resid  68 and name HD2* ))     5.49  3.69  0.55
 assign ((resid  11 and name HB1  ))   ( (resid  15 and name HG2  ))     3.58  1.78  0.36
 assign ((resid  11 and name HB2  ))   ( (resid  15 and name HG2  ))     4.21  2.41  0.42
 assign ((resid  19 and name HD2* ))   ( (resid  48 and name HG1* ))     3.32  1.52  0.33
 assign ((resid  19 and name HD2* ))   ( (resid  29 and name HD1* ))     4.48  2.68  0.45
 assign ((resid  30 and name HN   ))   ( (resid  34 and name HB1  ))     5.31  3.51  0.53
 assign ((resid  15 and name HE21 ))   ( (resid  41 and name HA   ))     5.19  3.39  0.52
 assign ((resid  43 and name HD2* ))   ( (resid  47 and name HG2  ))     5.38  3.58  0.54
 assign ((resid  55 and name HA   ))   ( (resid  58 and name HD2  ))     6.00  4.20  0.60
 assign ((resid  55 and name HA   ))   ( (resid  58 and name HD1  ))     6.00  4.20  0.60
 assign ((resid  56 and name HA   ))   ( (resid  59 and name HB   ))     4.64  2.84  0.46
 assign ((resid  56 and name HA   ))   ( (resid  59 and name HG2* ))     4.05  2.25  0.41
 assign ((resid  43 and name HD2* ))   ( (resid  47 and name HB1  ))     4.00  2.20  0.40
 assign ((resid  11 and name HG1  ))   ( (resid  43 and name HD2* ))     3.92  2.12  0.39
 assign ((resid  15 and name HG2  ))   ( (resid  43 and name HD2* ))     4.52  2.72  0.45
 assign ((resid  11 and name HA   ))   ( (resid  43 and name HD2* ))     4.39  2.59  0.44
 assign ((resid  34 and name HA   ))   ( (resid  48 and name HG1* ))     3.67  1.87  0.37
 assign ((resid  26 and name HG2  ))   ( (resid  29 and name HD1* ))     5.60  3.80  0.56
 assign ((resid  26 and name HG1  ))   ( (resid  29 and name HD1* ))     5.95  4.15  0.59
 assign ((resid  26 and name HG1  ))   ( (resid  27 and name HB2  ))     5.56  3.76  0.56
 assign ((resid  26 and name HG2  ))   ( (resid  52 and name HZ   ))     6.00  4.20  0.60
 assign ((resid  26 and name HG1  ))   ( (resid  52 and name HZ   ))     6.00  4.20  0.60
 assign ((resid  30 and name HA   ))   ( (resid  32 and name HD2  ))     4.26  2.46  0.43
 assign ((resid  30 and name HB2  ))   ( (resid  32 and name HD2  ))     4.45  2.65  0.44
 assign ((resid  30 and name HA   ))   ( (resid  32 and name HD1  ))     5.74  3.94  0.57
 assign ((resid  34 and name HA   ))   ( (resid  37 and name HD1* ))     5.34  3.54  0.53
 assign ((resid  43 and name HG   ))   ( (resid  48 and name HG2* ))     4.68  2.88  0.47
 assign ((resid  59 and name HG2* ))   ( (resid  60 and name HA   ))     5.58  3.78  0.56
 assign ((resid  22 and name HG2  ))   ( (resid  29 and name HD2* ))     3.85  2.05  0.38
 assign ((resid  29 and name HD2* ))   ( (resid  34 and name HB2  ))     5.59  3.79  0.56
 assign ((resid  37 and name HG   ))   ( (resid  41 and name HD1* ))     3.63  1.83  0.36
 assign ((resid  10 and name HA   ))   ( (resid  10 and name HD2  ))     4.39  2.59  0.44
 assign ((resid  23 and name HA   ))   ( (resid  23 and name HD*  ))     3.33  1.53  0.33
 assign ((resid  23 and name HD*  ))   ( (resid  51 and name HE3  ))     4.53  2.73  0.45
 assign ((resid  23 and name HD*  ))   ( (resid  23 and name HZ   ))     4.03  2.23  0.40
 assign ((resid  51 and name HA   ))   ( (resid  51 and name HD1  ))     3.94  2.14  0.39
 assign ((resid  51 and name HB2  ))   ( (resid  51 and name HD1  ))     3.27  1.47  0.33
 assign ((resid  57 and name HA   ))   ( (resid  57 and name HD*  ))     3.20  1.40  0.32
 assign ((resid  13 and name HD2  ))   ( (resid  17 and name HG11 ))     4.73  2.93  0.47
 assign ((resid  13 and name HD2  ))   ( (resid  14 and name HG2* ))     4.64  2.84  0.46
 assign ((resid  13 and name HD2  ))   ( (resid  17 and name HG12 ))     4.73  2.93  0.47
 assign ((resid  13 and name HD2  ))   ( (resid  17 and name HD1* ))     4.03  2.23  0.40
 assign ((resid  33 and name HA   ))   ( (resid  36 and name HD2  ))     4.47  2.67  0.45
 assign ((resid  20 and name HA   ))   ( (resid  23 and name HD*  ))     4.63  2.83  0.46
 assign ((resid  23 and name HD*  ))   ( (resid  24 and name HA   ))     4.19  2.39  0.42
 assign ((resid  23 and name HD*  ))   ( (resid  27 and name HA   ))     3.88  2.08  0.39
 assign ((resid  23 and name HD*  ))   ( (resid  52 and name HE*  ))     3.40  1.60  0.34
 assign ((resid  23 and name HD*  ))   ( (resid  52 and name HD*  ))     3.60  1.80  0.36
 assign ((resid  23 and name HD*  ))   ( (resid  24 and name HN   ))     4.28  2.48  0.43
 assign ((resid  23 and name HN   ))   ( (resid  23 and name HD*  ))     4.22  2.42  0.42
 assign ((resid  23 and name HE*  ))   ( (resid  52 and name HE*  ))     4.90  3.10  0.49
 assign ((resid  23 and name HE*  ))   ( (resid  52 and name HD*  ))     4.04  2.24  0.40
 assign ((resid  23 and name HD*  ))   ( (resid  51 and name HH2  ))     4.34  2.54  0.43
 assign ((resid  23 and name HD*  ))   ( (resid  51 and name HZ3  ))     3.95  2.15  0.40
 assign ((resid  23 and name HE*  ))   ( (resid  56 and name HA   ))     4.00  2.20  0.40
 assign ((resid  23 and name HE*  ))   ( (resid  27 and name HA   ))     3.75  1.95  0.38
 assign ((resid  23 and name HZ   ))   ( (resid  56 and name HA   ))     3.40  1.60  0.34
 assign ((resid  23 and name HE*  ))   ( (resid  56 and name HG2  ))     3.61  1.81  0.36
 assign ((resid  23 and name HE*  ))   ( (resid  56 and name HB1  ))     5.05  3.25  0.51
 assign ((resid  23 and name HE*  ))   ( (resid  56 and name HB2  ))     5.05  3.25  0.51
 assign ((resid  23 and name HE*  ))   ( (resid  56 and name HG1  ))     3.61  1.81  0.36
 assign ((resid  23 and name HZ   ))   ( (resid  56 and name HG2  ))     4.29  2.49  0.43
 assign ((resid  23 and name HZ   ))   ( (resid  56 and name HG1  ))     4.29  2.49  0.43
 assign ((resid  23 and name HD*  ))   ( (resid  55 and name HB2  ))     5.07  3.27  0.51
 assign ((resid  23 and name HD*  ))   ( (resid  55 and name HB1  ))     5.07  3.27  0.51
 assign ((resid  23 and name HE*  ))   ( (resid  59 and name HG2* ))     4.31  2.51  0.43
 assign ((resid  23 and name HE*  ))   ( (resid  55 and name HB2  ))     4.13  2.33  0.41
 assign ((resid  23 and name HE*  ))   ( (resid  55 and name HB1  ))     4.13  2.33  0.41
 assign ((resid  23 and name HZ   ))   ( (resid  27 and name HD1  ))     4.41  2.61  0.44
 assign ((resid  23 and name HZ   ))   ( (resid  27 and name HD2  ))     4.41  2.61  0.44
 assign ((resid  22 and name HA   ))   ( (resid  25 and name HD2  ))     4.49  2.69  0.45
 assign ((resid  28 and name HN   ))   ( (resid  28 and name HD*  ))     3.53  1.73  0.35
 assign ((resid  27 and name HN   ))   ( (resid  28 and name HD*  ))     4.25  2.45  0.43
 assign ((resid  27 and name HB2  ))   ( (resid  28 and name HD*  ))     3.32  1.52  0.33
 assign ((resid  27 and name HB1  ))   ( (resid  28 and name HD*  ))     3.78  1.98  0.38
 assign ((resid  27 and name HB2  ))   ( (resid  28 and name HE*  ))     3.87  2.07  0.39
 assign ((resid  27 and name HB1  ))   ( (resid  28 and name HE*  ))     3.92  2.12  0.39
 assign ((resid  51 and name HE3  ))   ( (resid  52 and name HD*  ))     4.07  2.27  0.41
 assign ((resid  16 and name HG1* ))   ( (resid  51 and name HD1  ))     4.73  2.93  0.47
 assign ((resid  19 and name HD1* ))   ( (resid  51 and name HD1  ))     3.87  2.07  0.39
 assign ((resid  19 and name HD1* ))   ( (resid  51 and name HE3  ))     5.23  3.43  0.52
 assign ((resid  20 and name HN   ))   ( (resid  51 and name HH2  ))     4.64  2.84  0.46
 assign ((resid  20 and name HA   ))   ( (resid  51 and name HZ2  ))     4.21  2.41  0.42
 assign ((resid  20 and name HA   ))   ( (resid  51 and name HH2  ))     3.09  1.29  0.31
 assign ((resid  23 and name HB1  ))   ( (resid  51 and name HH2  ))     4.02  2.22  0.40
 assign ((resid  16 and name HG1* ))   ( (resid  51 and name HZ2  ))     3.35  1.55  0.34
 assign ((resid  20 and name HG2  ))   ( (resid  51 and name HH2  ))     4.36  2.56  0.44
 assign ((resid  19 and name HB2  ))   ( (resid  51 and name HZ2  ))     4.64  2.84  0.46
 assign ((resid  51 and name HE3  ))   ( (resid  52 and name HE*  ))     4.39  2.59  0.44
 assign ((resid  27 and name HA   ))   ( (resid  52 and name HE*  ))     4.14  2.34  0.41
 assign ((resid  23 and name HA   ))   ( (resid  52 and name HE*  ))     3.92  2.12  0.39
 assign ((resid  37 and name HD2* ))   ( (resid  52 and name HE*  ))     3.77  1.97  0.38
 assign ((resid  19 and name HD1* ))   ( (resid  52 and name HD*  ))     6.00  4.20  0.60
 assign ((resid  29 and name HD1* ))   ( (resid  52 and name HE*  ))     4.06  2.26  0.41
 assign ((resid  54 and name HA   ))   ( (resid  57 and name HD*  ))     4.22  2.42  0.42
 assign ((resid  57 and name HD*  ))   ( (resid  58 and name HA   ))     4.17  2.37  0.42
 assign ((resid  54 and name HB1  ))   ( (resid  57 and name HD*  ))     5.33  3.53  0.53
 assign ((resid  20 and name HG1  ))   ( (resid  51 and name HH2  ))     4.36  2.56  0.44
 assign ((resid  23 and name HB2  ))   ( (resid  51 and name HH2  ))     4.02  2.22  0.40
 assign ((resid  16 and name HA   ))   ( (resid  51 and name HZ2  ))     4.46  2.66  0.45
 assign ((resid  48 and name HG1* ))   ( (resid  52 and name HE*  ))     3.73  1.93  0.37
 assign ((resid  11 and name HN   ))   ( (resid  11 and name HG*  ))     4.18  2.38  0.42
 assign ((resid  11 and name HA   ))   ( (resid  11 and name HG*  ))     3.26  1.46  0.33
 assign ((resid  11 and name HG*  ))   ( (resid  12 and name HN   ))     4.55  2.75  0.46
 assign ((resid  11 and name HG*  ))   ( (resid  15 and name HB1  ))     4.48  2.68  0.45
 assign ((resid  11 and name HG*  ))   ( (resid  16 and name HG2* ))     4.39  2.59  0.44
 assign ((resid  11 and name HG*  ))   ( (resid  43 and name HD2* ))     3.28  1.48  0.33
 assign ((resid  11 and name HG*  ))   ( (resid  47 and name HE*  ))     3.90  2.10  0.39
 assign ((resid  12 and name HN   ))   ( (resid  12 and name HB*  ))     3.63  1.83  0.36
 assign ((resid  12 and name HB*  ))   ( (resid  14 and name HN   ))     3.89  2.09  0.39
 assign ((resid  12 and name HB*  ))   ( (resid  15 and name HN   ))     4.55  2.75  0.46
 assign ((resid  12 and name HB*  ))   ( (resid  15 and name HA   ))     4.88  3.08  0.49
 assign ((resid  12 and name HB*  ))   ( (resid  15 and name HB2  ))     4.48  2.68  0.45
 assign ((resid  12 and name HB*  ))   ( (resid  16 and name HN   ))     4.69  2.89  0.47
 assign ((resid  13 and name HB*  ))   ( (resid  14 and name HN   ))     3.37  1.57  0.34
 assign ((resid  13 and name HB*  ))   ( (resid  17 and name HD1* ))     4.81  3.01  0.48
 assign ((resid  14 and name HA   ))   ( (resid  17 and name HG1* ))     3.70  1.90  0.37
 assign ((resid  16 and name HG1* ))   ( (resid  20 and name HB*  ))     4.81  3.01  0.48
 assign ((resid  16 and name HG1* ))   ( (resid  20 and name HG*  ))     3.65  1.85  0.37
 assign ((resid  16 and name HG1* ))   ( (resid  55 and name HD*  ))     4.25  2.45  0.43
 assign ((resid  17 and name HN   ))   ( (resid  17 and name HG1* ))     2.99  1.19  0.30
 assign ((resid  17 and name HA   ))   ( (resid  17 and name HG1* ))     3.29  1.49  0.33
 assign ((resid  17 and name HA   ))   ( (resid  20 and name HB*  ))     3.54  1.74  0.35
 assign ((resid  17 and name HA   ))   ( (resid  20 and name HG*  ))     4.31  2.51  0.43
 assign ((resid  17 and name HG2* ))   ( (resid  17 and name HG1* ))     3.03  1.23  0.30
 assign ((resid  17 and name HG2* ))   ( (resid  21 and name HG*  ))     4.21  2.41  0.42
 assign ((resid  17 and name HG2* ))   ( (resid  21 and name HD*  ))     3.95  2.15  0.40
 assign ((resid  17 and name HG1* ))   ( (resid  18 and name HN   ))     4.37  2.57  0.44
 assign ((resid  18 and name HA   ))   ( (resid  21 and name HG*  ))     4.18  2.38  0.42
 assign ((resid  18 and name HA   ))   ( (resid  21 and name HD*  ))     4.04  2.24  0.40
 assign ((resid  19 and name HN   ))   ( (resid  20 and name HG*  ))     5.43  3.63  0.54
 assign ((resid  19 and name HA   ))   ( (resid  22 and name HB*  ))     4.01  2.21  0.40
 assign ((resid  19 and name HD1* ))   ( (resid  55 and name HD*  ))     4.87  3.07  0.49
 assign ((resid  19 and name HD2* ))   ( (resid  55 and name HD*  ))     5.81  4.01  0.58
 assign ((resid  20 and name HA   ))   ( (resid  23 and name HB*  ))     3.41  1.61  0.34
 assign ((resid  20 and name HB*  ))   ( (resid  21 and name HN   ))     3.26  1.46  0.33
 assign ((resid  20 and name HB*  ))   ( (resid  51 and name HH2  ))     4.55  2.75  0.46
 assign ((resid  20 and name HG*  ))   ( (resid  21 and name HN   ))     4.20  2.40  0.42
 assign ((resid  20 and name HG*  ))   ( (resid  51 and name HE1  ))     5.18  3.38  0.52
 assign ((resid  20 and name HG*  ))   ( (resid  51 and name HZ2  ))     3.28  1.48  0.33
 assign ((resid  20 and name HG*  ))   ( (resid  51 and name HH2  ))     3.71  1.91  0.37
 assign ((resid  21 and name HN   ))   ( (resid  21 and name HG*  ))     3.53  1.73  0.35
 assign ((resid  21 and name HA   ))   ( (resid  21 and name HG*  ))     3.11  1.31  0.31
 assign ((resid  21 and name HA   ))   ( (resid  21 and name HD*  ))     4.15  2.35  0.42
 assign ((resid  21 and name HB2  ))   ( (resid  21 and name HG*  ))     2.58  0.78  0.26
 assign ((resid  21 and name HG*  ))   ( (resid  22 and name HN   ))     4.30  2.50  0.43
 assign ((resid  22 and name HN   ))   ( (resid  22 and name HB*  ))     3.00  1.20  0.30
 assign ((resid  22 and name HN   ))   ( (resid  22 and name HD*  ))     4.31  2.51  0.43
 assign ((resid  22 and name HA   ))   ( (resid  22 and name HD*  ))     3.00  1.20  0.30
 assign ((resid  22 and name HA   ))   ( (resid  22 and name HE*  ))     4.25  2.45  0.43
 assign ((resid  22 and name HA   ))   ( (resid  25 and name HB*  ))     4.25  2.45  0.43
 assign ((resid  22 and name HB*  ))   ( (resid  22 and name HD*  ))     3.06  1.26  0.31
 assign ((resid  22 and name HB*  ))   ( (resid  22 and name HE*  ))     3.98  2.18  0.40
 assign ((resid  22 and name HB*  ))   ( (resid  23 and name HN   ))     3.85  2.05  0.38
 assign ((resid  22 and name HB*  ))   ( (resid  29 and name HD1* ))     5.16  3.36  0.52
 assign ((resid  22 and name HB*  ))   ( (resid  37 and name HD2* ))     3.99  2.19  0.40
 assign ((resid  22 and name HB*  ))   ( (resid  52 and name HZ   ))     3.93  2.13  0.39
 assign ((resid  22 and name HD*  ))   ( (resid  29 and name HD2* ))     4.11  2.31  0.41
 assign ((resid  22 and name HD*  ))   ( (resid  37 and name HD1* ))     3.73  1.93  0.37
 assign ((resid  22 and name HD*  ))   ( (resid  37 and name HD2* ))     4.22  2.42  0.42
 assign ((resid  22 and name HE*  ))   ( (resid  29 and name HD2* ))     3.50  1.70  0.35
 assign ((resid  22 and name HE*  ))   ( (resid  37 and name HB2  ))     4.31  2.51  0.43
 assign ((resid  22 and name HE*  ))   ( (resid  37 and name HD1* ))     4.07  2.27  0.41
 assign ((resid  22 and name HE*  ))   ( (resid  37 and name HD2* ))     4.14  2.34  0.41
 assign ((resid  23 and name HB*  ))   ( (resid  24 and name HN   ))     3.71  1.91  0.37
 assign ((resid  23 and name HB*  ))   ( (resid  51 and name HZ3  ))     3.92  2.12  0.39
 assign ((resid  23 and name HB*  ))   ( (resid  52 and name HE*  ))     4.51  2.71  0.45
 assign ((resid  23 and name HB*  ))   ( (resid  52 and name HZ   ))     5.23  3.43  0.52
 assign ((resid  23 and name HD*  ))   ( (resid  27 and name HE*  ))     5.21  3.41  0.52
 assign ((resid  23 and name HD*  ))   ( (resid  55 and name HB*  ))     4.30  2.50  0.43
 assign ((resid  23 and name HD*  ))   ( (resid  55 and name HG*  ))     5.35  3.55  0.54
 assign ((resid  23 and name HE*  ))   ( (resid  27 and name HG*  ))     4.86  3.06  0.49
 assign ((resid  23 and name HE*  ))   ( (resid  27 and name HD*  ))     3.81  2.01  0.38
 assign ((resid  23 and name HE*  ))   ( (resid  27 and name HE*  ))     3.71  1.91  0.37
 assign ((resid  23 and name HE*  ))   ( (resid  55 and name HB*  ))     3.55  1.75  0.35
 assign ((resid  23 and name HE*  ))   ( (resid  56 and name HB*  ))     4.28  2.48  0.43
 assign ((resid  23 and name HE*  ))   ( (resid  56 and name HG*  ))     3.05  1.25  0.31
 assign ((resid  23 and name HE*  ))   ( (resid  56 and name HD*  ))     5.21  3.41  0.52
 assign ((resid  23 and name HZ   ))   ( (resid  27 and name HE*  ))     4.53  2.73  0.45
 assign ((resid  23 and name HZ   ))   ( (resid  55 and name HB*  ))     4.51  2.71  0.45
 assign ((resid  23 and name HZ   ))   ( (resid  56 and name HG*  ))     3.64  1.84  0.36
 assign ((resid  24 and name HN   ))   ( (resid  24 and name HB*  ))     3.06  1.26  0.31
 assign ((resid  24 and name HB*  ))   ( (resid  25 and name HN   ))     4.44  2.64  0.44
 assign ((resid  25 and name HN   ))   ( (resid  25 and name HB*  ))     3.46  1.66  0.35
 assign ((resid  25 and name HB*  ))   ( (resid  26 and name HN   ))     3.55  1.75  0.35
 assign ((resid  25 and name HB*  ))   ( (resid  26 and name HB1  ))     4.49  2.69  0.45
 assign ((resid  25 and name HB*  ))   ( (resid  26 and name HG2  ))     4.51  2.71  0.45
 assign ((resid  26 and name HB2  ))   ( (resid  26 and name HE*  ))     3.93  2.13  0.39
 assign ((resid  26 and name HB1  ))   ( (resid  26 and name HE*  ))     4.38  2.58  0.44
 assign ((resid  26 and name HG1  ))   ( (resid  26 and name HE*  ))     2.94  1.14  0.29
 assign ((resid  26 and name HE*  ))   ( (resid  29 and name HA   ))     3.48  1.68  0.35
 assign ((resid  26 and name HE*  ))   ( (resid  29 and name HD2* ))     3.30  1.50  0.33
 assign ((resid  26 and name HE*  ))   ( (resid  30 and name HN   ))     4.74  2.94  0.47
 assign ((resid  27 and name HN   ))   ( (resid  27 and name HG*  ))     3.31  1.51  0.33
 assign ((resid  27 and name HN   ))   ( (resid  27 and name HD*  ))     4.28  2.48  0.43
 assign ((resid  27 and name HA   ))   ( (resid  27 and name HG*  ))     3.39  1.59  0.34
 assign ((resid  27 and name HA   ))   ( (resid  27 and name HD*  ))     3.77  1.97  0.38
 assign ((resid  27 and name HB2  ))   ( (resid  27 and name HE*  ))     5.43  3.63  0.54
 assign ((resid  27 and name HB2  ))   ( (resid  28 and name HB*  ))     5.21  3.41  0.52
 assign ((resid  27 and name HB1  ))   ( (resid  27 and name HD*  ))     3.10  1.30  0.31
 assign ((resid  27 and name HB1  ))   ( (resid  27 and name HE*  ))     5.81  4.01  0.58
 assign ((resid  27 and name HB1  ))   ( (resid  56 and name HD*  ))     4.63  2.83  0.46
 assign ((resid  27 and name HG*  ))   ( (resid  28 and name HD*  ))     5.81  4.01  0.58
 assign ((resid  28 and name HB*  ))   ( (resid  29 and name HN   ))     3.69  1.89  0.37
 assign ((resid  28 and name HE*  ))   ( (resid  56 and name HD*  ))     3.70  1.90  0.37
 assign ((resid  29 and name HB1  ))   ( (resid  33 and name HG*  ))     5.51  3.71  0.55
 assign ((resid  30 and name HN   ))   ( (resid  30 and name HB*  ))     3.54  1.74  0.35
 assign ((resid  30 and name HN   ))   ( (resid  33 and name HG*  ))     4.24  2.44  0.42
 assign ((resid  30 and name HB*  ))   ( (resid  31 and name HN   ))     3.63  1.83  0.36
 assign ((resid  30 and name HB*  ))   ( (resid  32 and name HG*  ))     4.90  3.10  0.49
 assign ((resid  30 and name HB*  ))   ( (resid  32 and name HD2  ))     3.67  1.87  0.37
 assign ((resid  30 and name HB*  ))   ( (resid  32 and name HD1  ))     3.84  2.04  0.38
 assign ((resid  30 and name HB*  ))   ( (resid  33 and name HN   ))     5.30  3.50  0.53
 assign ((resid  30 and name HB*  ))   ( (resid  34 and name HN   ))     4.64  2.84  0.46
 assign ((resid  31 and name HB*  ))   ( (resid  32 and name HB*  ))     4.59  2.79  0.46
 assign ((resid  31 and name HB*  ))   ( (resid  32 and name HG*  ))     3.75  1.95  0.38
 assign ((resid  32 and name HB*  ))   ( (resid  33 and name HN   ))     3.76  1.96  0.38
 assign ((resid  32 and name HB*  ))   ( (resid  35 and name HB*  ))     5.32  3.52  0.53
 assign ((resid  32 and name HG*  ))   ( (resid  33 and name HN   ))     4.11  2.31  0.41
 assign ((resid  33 and name HA   ))   ( (resid  33 and name HG*  ))     3.12  1.32  0.31
 assign ((resid  33 and name HA   ))   ( (resid  36 and name HB*  ))     3.30  1.50  0.33
 assign ((resid  33 and name HB1  ))   ( (resid  36 and name HB*  ))     5.11  3.31  0.51
 assign ((resid  33 and name HG*  ))   ( (resid  34 and name HN   ))     4.42  2.62  0.44
 assign ((resid  34 and name HB1  ))   ( (resid  34 and name HD*  ))     3.64  1.84  0.36
 assign ((resid  34 and name HD*  ))   ( (resid  45 and name HB1  ))     4.51  2.71  0.45
 assign ((resid  34 and name HD*  ))   ( (resid  45 and name HG2  ))     4.65  2.85  0.47
 assign ((resid  34 and name HD*  ))   ( (resid  48 and name HB   ))     4.13  2.33  0.41
 assign ((resid  34 and name HD*  ))   ( (resid  48 and name HG1* ))     4.06  2.26  0.41
 assign ((resid  34 and name HD*  ))   ( (resid  49 and name HN   ))     4.25  2.45  0.43
 assign ((resid  34 and name HD*  ))   ( (resid  49 and name HA   ))     3.90  2.10  0.39
 assign ((resid  34 and name HD*  ))   ( (resid  49 and name HB2  ))     3.71  1.91  0.37
 assign ((resid  34 and name HD*  ))   ( (resid  49 and name HB1  ))     4.74  2.94  0.47
 assign ((resid  35 and name HN   ))   ( (resid  36 and name HB*  ))     4.72  2.92  0.47
 assign ((resid  35 and name HB*  ))   ( (resid  36 and name HB*  ))     4.67  2.87  0.47
 assign ((resid  36 and name HN   ))   ( (resid  36 and name HB*  ))     2.73  0.93  0.27
 assign ((resid  36 and name HA   ))   ( (resid  39 and name HD*  ))     4.15  2.35  0.42
 assign ((resid  36 and name HA   ))   ( (resid  39 and name HE*  ))     5.14  3.34  0.51
 assign ((resid  36 and name HB*  ))   ( (resid  36 and name HD2  ))     3.44  1.64  0.34
 assign ((resid  36 and name HB*  ))   ( (resid  37 and name HN   ))     3.05  1.25  0.31
 assign ((resid  36 and name HB*  ))   ( (resid  37 and name HB2  ))     5.05  3.25  0.51
 assign ((resid  36 and name HB*  ))   ( (resid  38 and name HN   ))     5.50  3.70  0.55
 assign ((resid  36 and name HB*  ))   ( (resid  39 and name HD*  ))     4.99  3.19  0.50
 assign ((resid  37 and name HA   ))   ( (resid  40 and name HD2* ))     4.21  2.41  0.42
 assign ((resid  37 and name HD1* ))   ( (resid  40 and name HD2* ))     4.51  2.71  0.45
 assign ((resid  39 and name HN   ))   ( (resid  39 and name HD*  ))     4.66  2.86  0.47
 assign ((resid  39 and name HB2  ))   ( (resid  39 and name HE*  ))     4.95  3.15  0.49
 assign ((resid  39 and name HB1  ))   ( (resid  39 and name HD*  ))     3.29  1.49  0.33
 assign ((resid  39 and name HG2  ))   ( (resid  39 and name HD*  ))     2.60  0.80  0.26
 assign ((resid  40 and name HN   ))   ( (resid  40 and name HD2* ))     4.11  2.31  0.41
 assign ((resid  40 and name HB2  ))   ( (resid  40 and name HD2* ))     3.49  1.69  0.35
 assign ((resid  42 and name HN   ))   ( (resid  42 and name HG*  ))     3.40  1.60  0.34
 assign ((resid  42 and name HN   ))   ( (resid  42 and name HD*  ))     4.02  2.22  0.40
 assign ((resid  42 and name HB1  ))   ( (resid  42 and name HE*  ))     4.80  3.00  0.48
 assign ((resid  42 and name HG*  ))   ( (resid  42 and name HE*  ))     3.33  1.53  0.33
 assign ((resid  43 and name HB1  ))   ( (resid  47 and name HG*  ))     5.27  3.47  0.53
 assign ((resid  43 and name HD2* ))   ( (resid  47 and name HG*  ))     4.68  2.88  0.47
 assign ((resid  43 and name HD2* ))   ( (resid  47 and name HE*  ))     3.47  1.67  0.35
 assign ((resid  44 and name HN   ))   ( (resid  47 and name HG*  ))     4.13  2.33  0.41
 assign ((resid  44 and name HG2* ))   ( (resid  47 and name HG*  ))     4.54  2.74  0.45
 assign ((resid  46 and name HA   ))   ( (resid  49 and name HG*  ))     5.09  3.29  0.51
 assign ((resid  46 and name HA   ))   ( (resid  49 and name HD*  ))     4.48  2.68  0.45
 assign ((resid  46 and name HA   ))   ( (resid  49 and name HE*  ))     4.76  2.96  0.48
 assign ((resid  46 and name HG2* ))   ( (resid  47 and name HG*  ))     4.55  2.75  0.46
 assign ((resid  46 and name HG2* ))   ( (resid  49 and name HE*  ))     4.89  3.09  0.49
 assign ((resid  47 and name HN   ))   ( (resid  47 and name HG*  ))     2.87  1.07  0.29
 assign ((resid  47 and name HA   ))   ( (resid  47 and name HE*  ))     4.48  2.68  0.45
 assign ((resid  47 and name HB2  ))   ( (resid  47 and name HG*  ))     2.63  0.83  0.26
 assign ((resid  47 and name HB1  ))   ( (resid  47 and name HE*  ))     3.98  2.18  0.40
 assign ((resid  47 and name HG*  ))   ( (resid  47 and name HE*  ))     3.10  1.30  0.31
 assign ((resid  47 and name HG*  ))   ( (resid  48 and name HN   ))     4.42  2.62  0.44
 assign ((resid  49 and name HN   ))   ( (resid  49 and name HG*  ))     4.32  2.52  0.43
 assign ((resid  49 and name HA   ))   ( (resid  49 and name HG*  ))     3.30  1.50  0.33
 assign ((resid  49 and name HA   ))   ( (resid  49 and name HD*  ))     4.51  2.71  0.45
 assign ((resid  49 and name HA   ))   ( (resid  52 and name HB*  ))     4.22  2.42  0.42
 assign ((resid  49 and name HB2  ))   ( (resid  49 and name HD*  ))     3.67  1.87  0.37
 assign ((resid  49 and name HB2  ))   ( (resid  49 and name HE*  ))     4.28  2.48  0.43
 assign ((resid  49 and name HB1  ))   ( (resid  49 and name HD*  ))     3.72  1.92  0.37
 assign ((resid  49 and name HB1  ))   ( (resid  49 and name HE*  ))     4.66  2.86  0.47
 assign ((resid  49 and name HG*  ))   ( (resid  49 and name HE*  ))     3.06  1.26  0.31
 assign ((resid  49 and name HG*  ))   ( (resid  50 and name HN   ))     4.37  2.57  0.44
 assign ((resid  49 and name HE*  ))   ( (resid  50 and name HD1* ))     5.17  3.37  0.52
 assign ((resid  50 and name HA   ))   ( (resid  53 and name HB*  ))     3.13  1.33  0.31
 assign ((resid  50 and name HA   ))   ( (resid  53 and name HG*  ))     4.40  2.60  0.44
 assign ((resid  50 and name HA   ))   ( (resid  53 and name HE*  ))     4.82  3.02  0.48
 assign ((resid  50 and name HG2* ))   ( (resid  53 and name HB*  ))     4.72  2.92  0.47
 assign ((resid  50 and name HG2* ))   ( (resid  54 and name HD2* ))     3.01  1.21  0.30
 assign ((resid  50 and name HG12 ))   ( (resid  53 and name HB*  ))     5.47  3.67  0.55
 assign ((resid  50 and name HD1* ))   ( (resid  54 and name HD2* ))     5.13  3.33  0.51
 assign ((resid  51 and name HN   ))   ( (resid  53 and name HB*  ))     5.81  4.01  0.58
 assign ((resid  51 and name HA   ))   ( (resid  54 and name HD2* ))     4.76  2.96  0.48
 assign ((resid  51 and name HA   ))   ( (resid  55 and name HD*  ))     5.51  3.71  0.55
 assign ((resid  51 and name HB1  ))   ( (resid  55 and name HD*  ))     5.81  4.01  0.58
 assign ((resid  51 and name HD1  ))   ( (resid  55 and name HD*  ))     3.59  1.79  0.36
 assign ((resid  51 and name HE3  ))   ( (resid  55 and name HB*  ))     5.75  3.95  0.57
 assign ((resid  51 and name HE3  ))   ( (resid  55 and name HG*  ))     5.77  3.97  0.58
 assign ((resid  51 and name HE1  ))   ( (resid  55 and name HD*  ))     4.03  2.23  0.40
 assign ((resid  51 and name HZ2  ))   ( (resid  55 and name HG*  ))     4.47  2.67  0.45
 assign ((resid  51 and name HZ2  ))   ( (resid  55 and name HD*  ))     3.89  2.09  0.39
 assign ((resid  51 and name HH2  ))   ( (resid  55 and name HG*  ))     3.92  2.12  0.39
 assign ((resid  52 and name HN   ))   ( (resid  52 and name HB*  ))     3.37  1.57  0.34
 assign ((resid  52 and name HN   ))   ( (resid  55 and name HD*  ))     5.81  4.01  0.58
 assign ((resid  52 and name HA   ))   ( (resid  55 and name HB*  ))     3.82  2.02  0.38
 assign ((resid  52 and name HB*  ))   ( (resid  53 and name HN   ))     3.59  1.79  0.36
 assign ((resid  52 and name HD*  ))   ( (resid  55 and name HB*  ))     5.81  4.01  0.58
 assign ((resid  53 and name HA   ))   ( (resid  56 and name HB*  ))     4.09  2.29  0.41
 assign ((resid  53 and name HB*  ))   ( (resid  54 and name HN   ))     3.15  1.35  0.32
 assign ((resid  53 and name HG*  ))   ( (resid  54 and name HN   ))     3.70  1.90  0.37
 assign ((resid  53 and name HE*  ))   ( (resid  54 and name HN   ))     5.42  3.62  0.54
 assign ((resid  54 and name HN   ))   ( (resid  54 and name HD2* ))     4.23  2.43  0.42
 assign ((resid  54 and name HA   ))   ( (resid  54 and name HD2* ))     4.52  2.72  0.45
 assign ((resid  54 and name HA   ))   ( (resid  57 and name HB*  ))     3.53  1.73  0.35
 assign ((resid  54 and name HB2  ))   ( (resid  54 and name HD2* ))     3.37  1.57  0.34
 assign ((resid  55 and name HN   ))   ( (resid  55 and name HG*  ))     4.93  3.13  0.49
 assign ((resid  55 and name HA   ))   ( (resid  55 and name HD*  ))     3.50  1.70  0.35
 assign ((resid  55 and name HA   ))   ( (resid  58 and name HB*  ))     4.12  2.32  0.41
 assign ((resid  55 and name HB*  ))   ( (resid  56 and name HN   ))     3.99  2.19  0.40
 assign ((resid  56 and name HN   ))   ( (resid  56 and name HB*  ))     3.40  1.60  0.34
 assign ((resid  56 and name HA   ))   ( (resid  56 and name HG*  ))     3.31  1.51  0.33
 assign ((resid  56 and name HA   ))   ( (resid  56 and name HD*  ))     4.64  2.84  0.46
 assign ((resid  56 and name HB*  ))   ( (resid  57 and name HN   ))     3.40  1.60  0.34
 assign ((resid  56 and name HB*  ))   ( (resid  59 and name HG2* ))     5.09  3.29  0.51
 assign ((resid  57 and name HA   ))   ( (resid  58 and name HG*  ))     5.46  3.66  0.55
 assign ((resid  57 and name HB*  ))   ( (resid  58 and name HA   ))     5.08  3.28  0.51
 assign ((resid  57 and name HD*  ))   ( (resid  58 and name HB*  ))     5.28  3.48  0.53
 assign ((resid  57 and name HD*  ))   ( (resid  58 and name HG*  ))     4.14  2.34  0.41
 assign ((resid  58 and name HN   ))   ( (resid  58 and name HB*  ))     3.10  1.30  0.31
 assign ((resid  58 and name HN   ))   ( (resid  58 and name HG*  ))     3.70  1.90  0.37
 assign ((resid  58 and name HN   ))   ( (resid  58 and name HD*  ))     4.85  3.05  0.48
 assign ((resid  58 and name HA   ))   ( (resid  58 and name HD*  ))     4.46  2.66  0.45
 assign ((resid  58 and name HB*  ))   ( (resid  58 and name HD*  ))     3.25  1.45  0.33
 assign ((resid  58 and name HB*  ))   ( (resid  59 and name HN   ))     3.68  1.88  0.37
 assign ((resid  58 and name HB*  ))   ( (resid  59 and name HG2* ))     5.24  3.44  0.52
 assign ((resid  59 and name HA   ))   ( (resid  60 and name HB*  ))     5.00  3.20  0.50
 assign ((resid  60 and name HN   ))   ( (resid  60 and name HB*  ))     3.54  1.74  0.35
 assign ((resid  60 and name HN   ))   ( (resid  60 and name HG*  ))     4.69  2.89  0.47
 assign ((resid  60 and name HA   ))   ( (resid  60 and name HD*  ))     5.19  3.39  0.52
 assign ((resid  60 and name HB*  ))   ( (resid  60 and name HD*  ))     2.80  1.00  0.28
 assign ((resid  60 and name HB*  ))   ( (resid  60 and name HE*  ))     4.60  2.80  0.46
 assign ((resid  60 and name HB*  ))   ( (resid  61 and name HN   ))     3.72  1.92  0.37
 assign ((resid  61 and name HN   ))   ( (resid  61 and name HB*  ))     3.45  1.65  0.34
 assign ((resid  61 and name HN   ))   ( (resid  61 and name HG*  ))     4.40  2.60  0.44
 assign ((resid  61 and name HA   ))   ( (resid  61 and name HG*  ))     3.73  1.93  0.37
 assign ((resid  61 and name HA   ))   ( (resid  61 and name HD*  ))     4.52  2.72  0.45
 assign ((resid  61 and name HB*  ))   ( (resid  61 and name HD*  ))     3.26  1.46  0.33
 assign ((resid  61 and name HB*  ))   ( (resid  62 and name HN   ))     3.60  1.80  0.36
 assign ((resid  61 and name HG*  ))   ( (resid  62 and name HN   ))     4.83  3.03  0.48
 assign ((resid  62 and name HN   ))   ( (resid  62 and name HB*  ))     3.36  1.56  0.34
 assign ((resid  62 and name HN   ))   ( (resid  62 and name HG*  ))     4.73  2.93  0.47
 assign ((resid  62 and name HA   ))   ( (resid  62 and name HD*  ))     5.81  4.01  0.58
 assign ((resid  62 and name HB*  ))   ( (resid  62 and name HD*  ))     2.81  1.01  0.28
 assign ((resid  62 and name HB*  ))   ( (resid  63 and name HN   ))     3.86  2.06  0.39
 assign ((resid  63 and name HN   ))   ( (resid  63 and name HB*  ))     3.44  1.64  0.34
 assign ((resid  63 and name HN   ))   ( (resid  63 and name HG*  ))     4.36  2.56  0.44
 assign ((resid  63 and name HA   ))   ( (resid  63 and name HG*  ))     3.71  1.91  0.37
 assign ((resid  63 and name HB*  ))   ( (resid  64 and name HN   ))     4.09  2.29  0.41
 assign ((resid  63 and name HB*  ))   ( (resid  64 and name HB*  ))     4.04  2.24  0.40
 assign ((resid  64 and name HN   ))   ( (resid  64 and name HB*  ))     3.04  1.24  0.30
 assign ((resid  64 and name HN   ))   ( (resid  64 and name HD*  ))     4.25  2.45  0.43
 assign ((resid  64 and name HA   ))   ( (resid  64 and name HD*  ))     3.92  2.12  0.39
 assign ((resid  64 and name HD*  ))   ( (resid  65 and name HN   ))     4.44  2.64  0.44
 assign ((resid  67 and name HN   ))   ( (resid  67 and name HB*  ))     3.53  1.73  0.35
 assign ((resid  67 and name HN   ))   ( (resid  67 and name HG*  ))     4.20  2.40  0.42
 assign ((resid  67 and name HB*  ))   ( (resid  68 and name HN   ))     4.08  2.28  0.41
 assign ((resid  68 and name HN   ))   ( (resid  68 and name HB*  ))     3.58  1.78  0.36
 assign ((resid  68 and name HN   ))   ( (resid  68 and name HD*  ))     4.70  2.90  0.47
 assign ((resid  68 and name HB*  ))   ( (resid  69 and name HN   ))     4.37  2.57  0.44
 assign ((resid  68 and name HD*  ))   ( (resid  69 and name HN   ))     4.77  2.97  0.48

!
! ACO file produced by PDBStat
! Version:  5.4-exp Compiled 2011-02-28 on (troberto.site)
!
   assign (resid  12 and name C   )   (resid  13 and name N   )
          (resid  13 and name CA  )   (resid  13 and name C   )   1.0    -60.00    20.00   2 
   assign (resid  13 and name N   )   (resid  13 and name CA  )
          (resid  13 and name C   )   (resid  14 and name N   )   1.0    -40.80    20.00   2 
   assign (resid  13 and name C   )   (resid  14 and name N   )
          (resid  14 and name CA  )   (resid  14 and name C   )   1.0    -66.20    20.00   2 
   assign (resid  14 and name N   )   (resid  14 and name CA  )
          (resid  14 and name C   )   (resid  15 and name N   )   1.0    -39.80    20.00   2 
   assign (resid  14 and name C   )   (resid  15 and name N   )
          (resid  15 and name CA  )   (resid  15 and name C   )   1.0    -63.50    20.00   2 
   assign (resid  15 and name N   )   (resid  15 and name CA  )
          (resid  15 and name C   )   (resid  16 and name N   )   1.0    -42.40    20.00   2 
   assign (resid  15 and name C   )   (resid  16 and name N   )
          (resid  16 and name CA  )   (resid  16 and name C   )   1.0    -64.40    20.00   2 
   assign (resid  16 and name N   )   (resid  16 and name CA  )
          (resid  16 and name C   )   (resid  17 and name N   )   1.0    -44.00    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    -61.00    20.00   2 
   assign (resid  17 and name N   )   (resid  17 and name CA  )
          (resid  17 and name C   )   (resid  18 and name N   )   1.0    -42.00    20.00   2 
   assign (resid  17 and name C   )   (resid  18 and name N   )
          (resid  18 and name CA  )   (resid  18 and name C   )   1.0    -63.90    20.00   2 
   assign (resid  18 and name N   )   (resid  18 and name CA  )
          (resid  18 and name C   )   (resid  19 and name N   )   1.0    -42.10    20.00   2 
   assign (resid  18 and name C   )   (resid  19 and name N   )
          (resid  19 and name CA  )   (resid  19 and name C   )   1.0    -65.50    20.00   2 
   assign (resid  19 and name N   )   (resid  19 and name CA  )
          (resid  19 and name C   )   (resid  20 and name N   )   1.0    -39.80    20.00   2 
   assign (resid  19 and name C   )   (resid  20 and name N   )
          (resid  20 and name CA  )   (resid  20 and name C   )   1.0    -61.20    20.00   2 
   assign (resid  20 and name N   )   (resid  20 and name CA  )
          (resid  20 and name C   )   (resid  21 and name N   )   1.0    -42.80    20.00   2 
   assign (resid  20 and name C   )   (resid  21 and name N   )
          (resid  21 and name CA  )   (resid  21 and name C   )   1.0    -62.60    20.00   2 
   assign (resid  21 and name N   )   (resid  21 and name CA  )
          (resid  21 and name C   )   (resid  22 and name N   )   1.0    -43.70    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    -66.60    20.00   2 
   assign (resid  22 and name N   )   (resid  22 and name CA  )
          (resid  22 and name C   )   (resid  23 and name N   )   1.0    -34.90    20.00   2 
   assign (resid  22 and name C   )   (resid  23 and name N   )
          (resid  23 and name CA  )   (resid  23 and name C   )   1.0    -62.00    20.00   2 
   assign (resid  23 and name N   )   (resid  23 and name CA  )
          (resid  23 and name C   )   (resid  24 and name N   )   1.0    -38.40    22.60   2 
   assign (resid  23 and name C   )   (resid  24 and name N   )
          (resid  24 and name CA  )   (resid  24 and name C   )   1.0    -67.10    20.70   2 
   assign (resid  24 and name N   )   (resid  24 and name CA  )
          (resid  24 and name C   )   (resid  25 and name N   )   1.0    -28.55    41.25   2 
   assign (resid  32 and name C   )   (resid  33 and name N   )
          (resid  33 and name CA  )   (resid  33 and name C   )   1.0    -72.65    26.45   2 
   assign (resid  33 and name N   )   (resid  33 and name CA  )
          (resid  33 and name C   )   (resid  34 and name N   )   1.0    -30.20    38.50   2 
   assign (resid  33 and name C   )   (resid  34 and name N   )
          (resid  34 and name CA  )   (resid  34 and name C   )   1.0    -60.60    20.00   2 
   assign (resid  34 and name N   )   (resid  34 and name CA  )
          (resid  34 and name C   )   (resid  35 and name N   )   1.0    -45.60    20.00   2 
   assign (resid  34 and name C   )   (resid  35 and name N   )
          (resid  35 and name CA  )   (resid  35 and name C   )   1.0    -63.50    20.00   2 
   assign (resid  35 and name N   )   (resid  35 and name CA  )
          (resid  35 and name C   )   (resid  36 and name N   )   1.0    -41.50    20.00   2 
   assign (resid  35 and name C   )   (resid  36 and name N   )
          (resid  36 and name CA  )   (resid  36 and name C   )   1.0    -66.90    20.00   2 
   assign (resid  36 and name N   )   (resid  36 and name CA  )
          (resid  36 and name C   )   (resid  37 and name N   )   1.0    -41.20    20.00   2 
   assign (resid  36 and name C   )   (resid  37 and name N   )
          (resid  37 and name CA  )   (resid  37 and name C   )   1.0    -61.50    20.00   2 
   assign (resid  37 and name N   )   (resid  37 and name CA  )
          (resid  37 and name C   )   (resid  38 and name N   )   1.0    -43.30    20.00   2 
   assign (resid  37 and name C   )   (resid  38 and name N   )
          (resid  38 and name CA  )   (resid  38 and name C   )   1.0    -61.80    20.00   2 
   assign (resid  38 and name N   )   (resid  38 and name CA  )
          (resid  38 and name C   )   (resid  39 and name N   )   1.0    -39.95    21.75   2 
   assign (resid  38 and name C   )   (resid  39 and name N   )
          (resid  39 and name CA  )   (resid  39 and name C   )   1.0    -61.30    20.00   2 
   assign (resid  39 and name N   )   (resid  39 and name CA  )
          (resid  39 and name C   )   (resid  40 and name N   )   1.0    -45.30    20.00   2 
   assign (resid  39 and name C   )   (resid  40 and name N   )
          (resid  40 and name CA  )   (resid  40 and name C   )   1.0    -65.20    20.00   2 
   assign (resid  40 and name N   )   (resid  40 and name CA  )
          (resid  40 and name C   )   (resid  41 and name N   )   1.0    -37.60    20.00   2 
   assign (resid  40 and name C   )   (resid  41 and name N   )
          (resid  41 and name CA  )   (resid  41 and name C   )   1.0    -93.40    20.00   2 
   assign (resid  41 and name N   )   (resid  41 and name CA  )
          (resid  41 and name C   )   (resid  42 and name N   )   1.0      5.40    20.10   2 
   assign (resid  44 and name C   )   (resid  45 and name N   )
          (resid  45 and name CA  )   (resid  45 and name C   )   1.0    -62.70    20.00   2 
   assign (resid  45 and name N   )   (resid  45 and name CA  )
          (resid  45 and name C   )   (resid  46 and name N   )   1.0    -36.60    20.00   2 
   assign (resid  45 and name C   )   (resid  46 and name N   )
          (resid  46 and name CA  )   (resid  46 and name C   )   1.0    -64.60    20.00   2 
   assign (resid  46 and name N   )   (resid  46 and name CA  )
          (resid  46 and name C   )   (resid  47 and name N   )   1.0    -43.50    20.00   2 
   assign (resid  46 and name C   )   (resid  47 and name N   )
          (resid  47 and name CA  )   (resid  47 and name C   )   1.0    -58.90    20.00   2 
   assign (resid  47 and name N   )   (resid  47 and name CA  )
          (resid  47 and name C   )   (resid  48 and name N   )   1.0    -43.80    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    -64.80    20.00   2 
   assign (resid  48 and name N   )   (resid  48 and name CA  )
          (resid  48 and name C   )   (resid  49 and name N   )   1.0    -45.20    20.00   2 
   assign (resid  48 and name C   )   (resid  49 and name N   )
          (resid  49 and name CA  )   (resid  49 and name C   )   1.0    -61.60    20.00   2 
   assign (resid  49 and name N   )   (resid  49 and name CA  )
          (resid  49 and name C   )   (resid  50 and name N   )   1.0    -45.70    20.00   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    20.00   2 
   assign (resid  50 and name N   )   (resid  50 and name CA  )
          (resid  50 and name C   )   (resid  51 and name N   )   1.0    -42.70    20.00   2 
   assign (resid  50 and name C   )   (resid  51 and name N   )
          (resid  51 and name CA  )   (resid  51 and name C   )   1.0    -61.00    20.00   2 
   assign (resid  51 and name N   )   (resid  51 and name CA  )
          (resid  51 and name C   )   (resid  52 and name N   )   1.0    -40.50    20.00   2 
   assign (resid  51 and name C   )   (resid  52 and name N   )
          (resid  52 and name CA  )   (resid  52 and name C   )   1.0    -60.50    20.00   2 
   assign (resid  52 and name N   )   (resid  52 and name CA  )
          (resid  52 and name C   )   (resid  53 and name N   )   1.0    -47.00    20.00   2 
   assign (resid  52 and name C   )   (resid  53 and name N   )
          (resid  53 and name CA  )   (resid  53 and name C   )   1.0    -59.90    20.00   2 
   assign (resid  53 and name N   )   (resid  53 and name CA  )
          (resid  53 and name C   )   (resid  54 and name N   )   1.0    -42.45    21.45   2 
   assign (resid  53 and name C   )   (resid  54 and name N   )
          (resid  54 and name CA  )   (resid  54 and name C   )   1.0    -64.90    20.00   2 
   assign (resid  54 and name N   )   (resid  54 and name CA  )
          (resid  54 and name C   )   (resid  55 and name N   )   1.0    -39.35    24.65   2 
   assign (resid  54 and name C   )   (resid  55 and name N   )
          (resid  55 and name CA  )   (resid  55 and name C   )   1.0    -64.70    20.00   2 
   assign (resid  55 and name N   )   (resid  55 and name CA  )
          (resid  55 and name C   )   (resid  56 and name N   )   1.0    -37.80    20.00   2 
   assign (resid  55 and name C   )   (resid  56 and name N   )
          (resid  56 and name CA  )   (resid  56 and name C   )   1.0    -60.80    20.00   2 
   assign (resid  56 and name N   )   (resid  56 and name CA  )
          (resid  56 and name C   )   (resid  57 and name N   )   1.0    -40.40    20.00   2 
   assign (resid  56 and name C   )   (resid  57 and name N   )
          (resid  57 and name CA  )   (resid  57 and name C   )   1.0    -67.30    20.00   2 
   assign (resid  57 and name N   )   (resid  57 and name CA  )
          (resid  57 and name C   )   (resid  58 and name N   )   1.0    -36.00    31.30   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    20.00   2 
   assign (resid  58 and name N   )   (resid  58 and name CA  )
          (resid  58 and name C   )   (resid  59 and name N   )   1.0    -36.45    27.55   2 
 assign ((resid  12 and name O    ))   ( (resid  16 and name HN   ))     1.90  0.10  0.19
 assign ((resid  12 and name O    ))   ( (resid  16 and name N    ))     2.85  0.15  0.28
 assign ((resid  16 and name O    ))   ( (resid  20 and name HN   ))     1.90  0.10  0.19
 assign ((resid  16 and name O    ))   ( (resid  20 and name N    ))     2.85  0.15  0.28
 assign ((resid  17 and name O    ))   ( (resid  21 and name HN   ))     1.90  0.10  0.19
 assign ((resid  17 and name O    ))   ( (resid  21 and name N    ))     2.85  0.15  0.28
 assign ((resid  19 and name O    ))   ( (resid  23 and name HN   ))     1.90  0.10  0.19
 assign ((resid  19 and name O    ))   ( (resid  23 and name N    ))     2.85  0.15  0.28
 assign ((resid  20 and name O    ))   ( (resid  24 and name HN   ))     1.90  0.10  0.19
 assign ((resid  20 and name O    ))   ( (resid  24 and name N    ))     2.85  0.15  0.28
 assign ((resid  22 and name O    ))   ( (resid  26 and name HN   ))     1.90  0.10  0.19
 assign ((resid  22 and name O    ))   ( (resid  26 and name N    ))     2.85  0.15  0.28
 assign ((resid  30 and name O    ))   ( (resid  34 and name HN   ))     1.90  0.10  0.19
 assign ((resid  30 and name O    ))   ( (resid  34 and name N    ))     2.85  0.15  0.28
 assign ((resid  32 and name O    ))   ( (resid  36 and name HN   ))     1.90  0.10  0.19
 assign ((resid  32 and name O    ))   ( (resid  36 and name N    ))     2.85  0.15  0.28
 assign ((resid  33 and name O    ))   ( (resid  37 and name HN   ))     1.90  0.10  0.19
 assign ((resid  33 and name O    ))   ( (resid  37 and name N    ))     2.85  0.15  0.28
 assign ((resid  34 and name O    ))   ( (resid  38 and name HN   ))     1.90  0.10  0.19
 assign ((resid  34 and name O    ))   ( (resid  38 and name N    ))     2.85  0.15  0.28
 assign ((resid  35 and name O    ))   ( (resid  39 and name HN   ))     1.90  0.10  0.19
 assign ((resid  35 and name O    ))   ( (resid  39 and name N    ))     2.85  0.15  0.28
 assign ((resid  44 and name O    ))   ( (resid  48 and name HN   ))     1.90  0.10  0.19
 assign ((resid  44 and name O    ))   ( (resid  48 and name N    ))     2.85  0.15  0.28
 assign ((resid  46 and name O    ))   ( (resid  50 and name HN   ))     1.90  0.10  0.19
 assign ((resid  46 and name O    ))   ( (resid  50 and name N    ))     2.85  0.15  0.28
 assign ((resid  47 and name O    ))   ( (resid  51 and name HN   ))     1.90  0.10  0.19
 assign ((resid  47 and name O    ))   ( (resid  51 and name N    ))     2.85  0.15  0.28
 assign ((resid  48 and name O    ))   ( (resid  52 and name HN   ))     1.90  0.10  0.19
 assign ((resid  48 and name O    ))   ( (resid  52 and name N    ))     2.85  0.15  0.28
 assign ((resid  49 and name O    ))   ( (resid  53 and name HN   ))     1.90  0.10  0.19
 assign ((resid  49 and name O    ))   ( (resid  53 and name N    ))     2.85  0.15  0.28
 assign ((resid  50 and name O    ))   ( (resid  54 and name HN   ))     1.90  0.10  0.19
 assign ((resid  50 and name O    ))   ( (resid  54 and name N    ))     2.85  0.15  0.28
 assign ((resid  51 and name O    ))   ( (resid  55 and name HN   ))     1.90  0.10  0.19
 assign ((resid  51 and name O    ))   ( (resid  55 and name N    ))     2.85  0.15  0.28
 assign ((resid  54 and name O    ))   ( (resid  58 and name HN   ))     1.90  0.10  0.19
 assign ((resid  54 and name O    ))   ( (resid  58 and name N    ))     2.85  0.15  0.28

# Orientation  Magnitude  Rhombicity  ORI residue number
       1        13.280      0.252           76
#  First atom      Second atom           RDC   Error  Weight Orientation
    11 MET  H        11 MET  N         3.745   4.000   1.000  1
    12 SER  H        12 SER  N         3.067   4.000   1.000  1
    14 THR  H        14 THR  N         5.121   4.000   1.000  1
    15 GLN  H        15 GLN  N        -6.559   4.000   1.000  1
    16 VAL  H        16 VAL  N        -8.342   4.000   1.000  1
    19 LEU  H        19 LEU  N        -6.693   4.000   1.000  1
    20 GLU  H        20 GLU  N        -8.418   4.000   1.000  1
    21 ARG  H        21 ARG  N         6.752   4.000   1.000  1
    23 PHE  H        23 PHE  N        -5.493   4.000   1.000  1
    24 SER  H        24 SER  N         2.451   4.000   1.000  1
    25 HIS  H        25 HIS  N        18.333   4.000   1.000  1
    27 LYS  H        27 LYS  N         2.508   4.000   1.000  1
    29 LEU  H        29 LEU  N        -7.106   4.000   1.000  1
    30 SER  H        30 SER  N       -15.455   4.000   1.000  1
    31 ALA  H        31 ALA  N       -12.780   4.000   1.000  1
    33 GLU  H        33 GLU  N        -1.454   4.000   1.000  1
    34 ARG  H        34 ARG  N       -15.444   4.000   1.000  1
    35 ALA  H        35 ALA  N       -11.862   4.000   1.000  1
    38 ALA  H        38 ALA  N       -13.189   4.000   1.000  1
    39 LYS  H        39 LYS  N       -10.342   4.000   1.000  1
    40 ASN  H        40 ASN  N        -2.469   4.000   1.000  1
    41 LEU  H        41 LEU  N       -14.355   4.000   1.000  1
    42 LYS  H        42 LYS  N        -6.455   4.000   1.000  1
    43 LEU  H        43 LEU  N        -7.400   4.000   1.000  1
    44 THR  H        44 THR  N         6.804   4.000   1.000  1
    45 GLU  H        45 GLU  N        22.379   4.000   1.000  1
    46 THR  H        46 THR  N        23.077   4.000   1.000  1
    48 VAL  H        48 VAL  N        23.479   4.000   1.000  1
    50 ILE  H        50 ILE  N        24.813   4.000   1.000  1
    51 TRP  H        51 TRP  N        26.060   4.000   1.000  1
    52 PHE  H        52 PHE  N        26.215   4.000   1.000  1
    54 ASN  H        54 ASN  N        26.665   4.000   1.000  1
    55 ARG  H        55 ARG  N        25.658   4.000   1.000  1
    56 ARG  H        56 ARG  N        17.343   4.000   1.000  1
    58 LYS  H        58 LYS  N        16.167   4.000   1.000  1
    59 THR  H        59 THR  N         2.004   4.000   1.000  1
#    60 LYS  H        60 LYS  N         0.541   4.000   1.000  1
#    61 ARG  H        61 ARG  N         1.783   4.000   1.000  1
#    62 LYS  H        62 LYS  N        -3.544   4.000   1.000  1
#    63 GLN  H        63 GLN  N        -2.539   4.000   1.000  1
#    64 LEU  H        64 LEU  N        -1.533   4.000   1.000  1
#    65 SER  H        65 SER  N        -1.378   4.000   1.000  1
#    67 GLU  H        67 GLU  N        -0.625   4.000   1.000  1
#    68 LEU  H        68 LEU  N         0.009   4.000   1.000  1
#    69 GLY  H        69 GLY  N        -0.038   4.000   1.000  1
# Orientation  Magnitude  Rhombicity  ORI residue number
       2       -1.255      0.336          82
#  First atom      Second atom           RDC   Error  Weight Orientation
    12 SER  H        12 SER  N        -0.824   0.400   1.000  2
    14 THR  H        14 THR  N        -0.526   0.400   1.000  2
    15 GLN  H        15 GLN  N         0.765   0.400   1.000  2
    16 VAL  H        16 VAL  N         0.715   0.400   1.000  2
    17 ILE  H        17 ILE  N        -0.165   0.400   1.000  2
    19 LEU  H        19 LEU  N         0.863   0.400   1.000  2
    20 GLU  H        20 GLU  N         0.667   0.400   1.000  2
    21 ARG  H        21 ARG  N        -0.667   0.400   1.000  2
    23 PHE  H        23 PHE  N         0.368   0.400   1.000  2
    24 SER  H        24 SER  N         0.138   0.400   1.000  2
    25 HIS  H        25 HIS  N        -1.670   0.400   1.000  2
    26 GLN  H        26 GLN  N         0.232   0.400   1.000  2
    27 LYS  H        27 LYS  N        -0.186   0.400   1.000  2
    30 SER  H        30 SER  N         1.537   0.400   1.000  2
    31 ALA  H        31 ALA  N         0.681   0.400   1.000  2
    33 GLU  H        33 GLU  N        -0.257   0.400   1.000  2
    34 ARG  H        34 ARG  N         1.518   0.400   1.000  2
    36 HIS  H        36 HIS  N        -0.003   0.400   1.000  2
    38 ALA  H        38 ALA  N         1.575   0.400   1.000  2
    39 LYS  H        39 LYS  N         0.866   0.400   1.000  2
    40 ASN  H        40 ASN  N        -0.057   0.400   1.000  2
    41 LEU  H        41 LEU  N         1.460   0.400   1.000  2
    42 LYS  H        42 LYS  N         0.713   0.400   1.000  2
    43 LEU  H        43 LEU  N         0.584   0.400   1.000  2
    44 THR  H        44 THR  N        -1.032   0.400   1.000  2
    45 GLU  H        45 GLU  N        -2.252   0.400   1.000  2
    46 THR  H        46 THR  N        -1.932   0.400   1.000  2
    48 VAL  H        48 VAL  N        -2.239   0.400   1.000  2
    49 LYS  H        49 LYS  N        -1.449   0.400   1.000  2
    50 ILE  H        50 ILE  N        -2.189   0.400   1.000  2
    51 TRP  H        51 TRP  N        -2.424   0.400   1.000  2
    52 PHE  H        52 PHE  N        -1.935   0.400   1.000  2
    53 GLN  H        53 GLN  N        -1.391   0.400   1.000  2
    55 ARG  H        55 ARG  N        -2.229   0.400   1.000  2
    56 ARG  H        56 ARG  N        -1.076   0.400   1.000  2
    58 LYS  H        58 LYS  N        -2.052   0.400   1.000  2
    59 THR  H        59 THR  N         0.137   0.400   1.000  2
#    60 LYS  H        60 LYS  N        -0.607   0.400   1.000  2
#    61 ARG  H        61 ARG  N        -0.512   0.400   1.000  2
#    62 LYS  H        62 LYS  N        -0.373   0.400   1.000  2
#    63 GLN  H        63 GLN  N        -0.265   0.400   1.000  2
#    64 LEU  H        64 LEU  N        -0.871   0.400   1.000  2
#    65 SER  H        65 SER  N        -1.192   0.400   1.000  2
#    67 GLU  H        67 GLU  N         0.176   0.400   1.000  2
#    68 LEU  H        68 LEU  N        -0.093   0.400   1.000  2
#    69 GLY  H        69 GLY  N         0.059   0.400   1.000  2

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           1H       MET   1   5.114 -25.603   4.340
    2    H2   MET   1           2H       MET   1   3.668 -26.472   4.274
    3    H3   MET   1           3H       MET   1   4.023 -25.525   5.625
    4    HA   MET   1           HA       MET   1   3.575 -24.526   2.879
    5    HB2  MET   1           2HB      MET   1   1.435 -23.649   3.678
    6    HB3  MET   1           3HB      MET   1   1.509 -25.389   3.919
    7    HG2  MET   1           2HG      MET   1   1.898 -23.296   6.079
    8    HG3  MET   1           3HG      MET   1   0.444 -24.258   5.815
    9    HE1  MET   1           3HE      MET   1   1.856 -25.773   9.155
   10    HE2  MET   1           1HE      MET   1   0.460 -25.033   8.371
   11    HE3  MET   1           2HE      MET   1   1.915 -24.079   8.672
   12    H    GLY   2           H        GLY   2   3.142 -22.109   2.903
   13    HA2  GLY   2           2HA      GLY   2   3.792 -20.260   4.797
   14    HA3  GLY   2           3HA      GLY   2   5.369 -20.769   4.202
   15    H    HIS   3           H        HIS   3   5.727 -18.628   3.472
   16    HA   HIS   3           HA       HIS   3   4.105 -17.488   1.331
   17    HB2  HIS   3           2HB      HIS   3   6.718 -16.543   2.594
   18    HB3  HIS   3           3HB      HIS   3   5.788 -15.634   1.404
   19    HD1  HIS   3           HD1      HIS   3   3.857 -14.241   2.265
   20    HD2  HIS   3           HD2      HIS   3   5.364 -16.817   5.159
   21    HE1  HIS   3           HE1      HIS   3   2.719 -13.597   4.400
   22    HE2  HIS   3           HE2      HIS   3   3.732 -15.082   6.151
   23    H    HIS   4           H        HIS   4   4.312 -18.391  -0.653
   24    HA   HIS   4           HA       HIS   4   6.387 -20.028  -1.588
   25    HB2  HIS   4           2HB      HIS   4   4.363 -18.413  -3.189
   26    HB3  HIS   4           3HB      HIS   4   5.358 -19.703  -3.854
   27    HD1  HIS   4           HD1      HIS   4   2.184 -19.083  -2.144
   28    HD2  HIS   4           HD2      HIS   4   4.684 -22.335  -2.770
   29    HE1  HIS   4           HE1      HIS   4   0.810 -21.098  -1.594
   30    HE2  HIS   4           HE2      HIS   4   2.384 -23.039  -1.841
   31    H    HIS   5           H        HIS   5   5.994 -16.546  -1.868
   32    HA   HIS   5           HA       HIS   5   8.793 -16.211  -2.613
   33    HB2  HIS   5           2HB      HIS   5   8.216 -14.643  -4.503
   34    HB3  HIS   5           3HB      HIS   5   7.802 -16.318  -4.823
   35    HD1  HIS   5           HD1      HIS   5   5.300 -16.881  -5.139
   36    HD2  HIS   5           HD2      HIS   5   5.978 -12.880  -4.275
   37    HE1  HIS   5           HE1      HIS   5   3.126 -15.721  -5.573
   38    HE2  HIS   5           HE2      HIS   5   3.636 -13.284  -5.264
   39    H    HIS   6           H        HIS   6   9.639 -14.582  -1.382
   40    HA   HIS   6           HA       HIS   6   8.001 -12.335  -0.469
   41    HB2  HIS   6           2HB      HIS   6   7.487 -14.002   1.234
   42    HB3  HIS   6           3HB      HIS   6   9.193 -14.375   1.455
   43    HD1  HIS   6           HD1      HIS   6  10.391 -13.076   3.246
   44    HD2  HIS   6           HD2      HIS   6   6.789 -11.304   2.204
   45    HE1  HIS   6           HE1      HIS   6  10.090 -11.180   4.848
   46    HE2  HIS   6           HE2      HIS   6   7.884 -10.149   4.232
   47    H    HIS   7           H        HIS   7   9.177 -10.547  -0.623
   48    HA   HIS   7           HA       HIS   7  11.639 -10.158   0.759
   49    HB2  HIS   7           2HB      HIS   7  13.104  -9.523  -1.123
   50    HB3  HIS   7           3HB      HIS   7  12.594 -11.194  -1.319
   51    HD1  HIS   7           HD1      HIS   7  12.391  -7.843  -2.930
   52    HD2  HIS   7           HD2      HIS   7  10.812 -11.637  -3.506
   53    HE1  HIS   7           HE1      HIS   7  11.354  -7.804  -5.205
   54    HE2  HIS   7           HE2      HIS   7  10.332 -10.074  -5.492
   55    H    HIS   8           H        HIS   8  12.453  -7.790   0.319
   56    HA   HIS   8           HA       HIS   8  10.269  -5.917   0.306
   57    HB2  HIS   8           2HB      HIS   8  13.248  -5.339  -0.014
   58    HB3  HIS   8           3HB      HIS   8  11.998  -4.170   0.413
   59    HD1  HIS   8           HD1      HIS   8  14.378  -6.498   1.879
   60    HD2  HIS   8           HD2      HIS   8  10.787  -4.756   3.039
   61    HE1  HIS   8           HE1      HIS   8  14.247  -6.803   4.359
   62    HE2  HIS   8           HE2      HIS   8  12.026  -5.852   5.019
   63    H    SER   9           H        SER   9   9.143  -5.672  -1.542
   64    HA   SER   9           HA       SER   9  10.102  -6.238  -4.137
   65    HB2  SER   9           2HB      SER   9   7.907  -5.206  -4.885
   66    HB3  SER   9           3HB      SER   9   7.758  -6.493  -3.692
   67    HG   SER   9           HG       SER   9   6.587  -4.313  -3.446
   68    H    HIS  10           H        HIS  10  11.334  -5.065  -5.458
   69    HA   HIS  10           HA       HIS  10  11.924  -2.263  -5.095
   70    HB2  HIS  10           2HB      HIS  10  13.583  -3.956  -5.967
   71    HB3  HIS  10           3HB      HIS  10  12.639  -4.090  -7.443
   72    HD1  HIS  10           HD1      HIS  10  12.779  -2.086  -9.113
   73    HD2  HIS  10           HD2      HIS  10  15.205  -1.683  -5.765
   74    HE1  HIS  10           HE1      HIS  10  14.380  -0.237  -9.659
   75    HE2  HIS  10           HE2      HIS  10  15.717   0.095  -7.559
   76    H    MET  11           H        MET  11   9.564  -1.758  -5.159
   77    HA   MET  11           HA       MET  11   7.983  -1.920  -7.504
   78    HB2  MET  11           2HB      MET  11   7.739  -0.285  -4.950
   79    HB3  MET  11           3HB      MET  11   6.488  -0.310  -6.190
   80    HG2  MET  11           2HG      MET  11   6.008  -2.607  -5.810
   81    HG3  MET  11           3HG      MET  11   7.485  -2.853  -4.881
   82    HE1  MET  11           3HE      MET  11   6.687  -1.155  -1.479
   83    HE2  MET  11           1HE      MET  11   7.586  -0.457  -2.826
   84    HE3  MET  11           2HE      MET  11   7.819  -2.152  -2.392
   85    H    SER  12           H        SER  12   7.044  -0.040  -8.651
   86    HA   SER  12           HA       SER  12   9.228   1.548  -9.775
   87    HB2  SER  12           2HB      SER  12   7.572   0.456 -11.285
   88    HB3  SER  12           3HB      SER  12   6.287   1.426 -10.578
   89    HG   SER  12           HG       SER  12   7.376   2.130 -12.641
   90    H    HIS  13           H        HIS  13   9.165   3.899  -9.957
   91    HA   HIS  13           HA       HIS  13   8.725   5.167  -7.492
   92    HB2  HIS  13           2HB      HIS  13  10.368   5.844  -9.340
   93    HB3  HIS  13           3HB      HIS  13   9.019   6.618 -10.155
   94    HD1  HIS  13           HD1      HIS  13  11.641   7.257  -7.747
   95    HD2  HIS  13           HD2      HIS  13   7.862   8.817  -8.492
   96    HE1  HIS  13           HE1      HIS  13  11.605   9.495  -6.627
   97    HE2  HIS  13           HE2      HIS  13   9.338  10.445  -7.135
   98    H    THR  14           H        THR  14   6.790   5.351 -10.499
   99    HA   THR  14           HA       THR  14   4.807   7.177  -9.565
  100    HB   THR  14           HB       THR  14   4.506   5.112 -11.798
  101    HG1  THR  14           HG1      THR  14   5.259   6.908 -13.119
  102   HG21  THR  14          3HG2      THR  14   2.381   6.249 -11.195
  103   HG22  THR  14          1HG2      THR  14   2.946   6.750 -12.792
  104   HG23  THR  14          2HG2      THR  14   3.162   7.818 -11.403
  105    H    GLN  15           H        GLN  15   5.072   3.666  -9.499
  106    HA   GLN  15           HA       GLN  15   2.467   3.015  -8.560
  107    HB2  GLN  15           2HB      GLN  15   3.815   1.330  -9.621
  108    HB3  GLN  15           3HB      GLN  15   5.142   1.580  -8.495
  109    HG2  GLN  15           2HG      GLN  15   3.899   0.528  -6.702
  110    HG3  GLN  15           3HG      GLN  15   2.454   0.426  -7.709
  111   HE21  GLN  15          1HE2      GLN  15   2.338  -1.189  -9.284
  112   HE22  GLN  15          2HE2      GLN  15   3.459  -2.494  -9.352
  113    H    VAL  16           H        VAL  16   5.527   3.752  -6.878
  114    HA   VAL  16           HA       VAL  16   4.602   3.356  -4.227
  115    HB   VAL  16           HB       VAL  16   6.900   5.122  -5.191
  116   HG11  VAL  16          1HG1      VAL  16   7.791   5.000  -2.877
  117   HG12  VAL  16          2HG1      VAL  16   6.339   4.141  -2.359
  118   HG13  VAL  16          3HG1      VAL  16   6.221   5.807  -2.925
  119   HG21  VAL  16          3HG2      VAL  16   6.953   2.264  -4.134
  120   HG22  VAL  16          1HG2      VAL  16   8.368   3.225  -4.580
  121   HG23  VAL  16          2HG2      VAL  16   7.197   2.754  -5.810
  122    H    ILE  17           H        ILE  17   4.477   6.190  -6.405
  123    HA   ILE  17           HA       ILE  17   3.491   8.126  -4.606
  124    HB   ILE  17           HB       ILE  17   2.808   7.783  -7.565
  125   HG12  ILE  17          2HG1      ILE  17   4.857   9.607  -6.217
  126   HG13  ILE  17          3HG1      ILE  17   5.226   8.151  -7.132
  127   HG21  ILE  17          1HG2      ILE  17   2.331  10.227  -5.815
  128   HG22  ILE  17          2HG2      ILE  17   1.086   9.172  -6.484
  129   HG23  ILE  17          3HG2      ILE  17   2.079  10.150  -7.560
  130   HD11  ILE  17          3HD1      ILE  17   5.675  10.114  -8.446
  131   HD12  ILE  17          1HD1      ILE  17   4.022  10.690  -8.233
  132   HD13  ILE  17          2HD1      ILE  17   4.335   9.221  -9.161
  133    H    GLU  18           H        GLU  18   1.747   5.634  -6.479
  134    HA   GLU  18           HA       GLU  18  -0.894   6.264  -5.672
  135    HB2  GLU  18           2HB      GLU  18   0.301   3.617  -6.582
  136    HB3  GLU  18           3HB      GLU  18  -1.430   3.915  -6.417
  137    HG2  GLU  18           2HG      GLU  18   0.421   5.434  -8.285
  138    HG3  GLU  18           3HG      GLU  18  -0.596   4.073  -8.755
  139    H    LEU  19           H        LEU  19   1.492   3.999  -4.328
  140    HA   LEU  19           HA       LEU  19   0.032   2.961  -2.167
  141    HB2  LEU  19           2HB      LEU  19   3.002   3.518  -2.510
  142    HB3  LEU  19           3HB      LEU  19   2.358   2.664  -1.121
  143    HG   LEU  19           HG       LEU  19   2.002   1.657  -3.972
  144   HD11  LEU  19          1HD1      LEU  19   4.174   0.829  -2.021
  145   HD12  LEU  19          2HD1      LEU  19   4.409   1.762  -3.497
  146   HD13  LEU  19          3HD1      LEU  19   3.847   0.099  -3.596
  147   HD21  LEU  19          3HD2      LEU  19   1.703   0.248  -1.298
  148   HD22  LEU  19          1HD2      LEU  19   1.523  -0.499  -2.889
  149   HD23  LEU  19          2HD2      LEU  19   0.395   0.748  -2.372
  150    H    GLU  20           H        GLU  20   1.953   5.983  -2.434
  151    HA   GLU  20           HA       GLU  20   1.631   6.823   0.289
  152    HB2  GLU  20           2HB      GLU  20   2.545   8.355  -2.174
  153    HB3  GLU  20           3HB      GLU  20   2.599   9.000  -0.533
  154    HG2  GLU  20           2HG      GLU  20   4.155   7.211   0.126
  155    HG3  GLU  20           3HG      GLU  20   4.100   6.545  -1.504
  156    H    ARG  21           H        ARG  21  -0.168   7.412  -2.669
  157    HA   ARG  21           HA       ARG  21  -1.872   9.471  -1.708
  158    HB2  ARG  21           2HB      ARG  21  -2.153   7.464  -3.968
  159    HB3  ARG  21           3HB      ARG  21  -3.432   8.622  -3.606
  160    HG2  ARG  21           2HG      ARG  21  -1.892  10.488  -4.015
  161    HG3  ARG  21           3HG      ARG  21  -0.573   9.360  -4.332
  162    HD2  ARG  21           2HD      ARG  21  -1.665   8.549  -6.331
  163    HD3  ARG  21           3HD      ARG  21  -3.135   9.458  -5.962
  164    HE   ARG  21           HE       ARG  21  -1.108  11.330  -6.123
  165   HH11  ARG  21          1HH1      ARG  21  -2.409   8.995  -8.346
  166   HH12  ARG  21          2HH1      ARG  21  -2.164  10.026  -9.715
  167   HH21  ARG  21          1HH2      ARG  21  -0.824  12.612  -7.911
  168   HH22  ARG  21          2HH2      ARG  21  -1.272  12.024  -9.474
  169    H    LYS  22           H        LYS  22  -2.092   5.939  -1.663
  170    HA   LYS  22           HA       LYS  22  -4.631   5.739  -0.351
  171    HB2  LYS  22           2HB      LYS  22  -3.190   3.918  -1.644
  172    HB3  LYS  22           3HB      LYS  22  -2.438   3.651  -0.081
  173    HG2  LYS  22           2HG      LYS  22  -4.123   2.022  -0.172
  174    HG3  LYS  22           3HG      LYS  22  -4.844   3.294   0.821
  175    HD2  LYS  22           2HD      LYS  22  -6.045   4.147  -1.196
  176    HD3  LYS  22           3HD      LYS  22  -5.348   2.834  -2.151
  177    HE2  LYS  22           2HE      LYS  22  -7.606   2.226  -1.545
  178    HE3  LYS  22           3HE      LYS  22  -6.501   1.204  -0.623
  179    HZ1  LYS  22           3HZ      LYS  22  -7.947   3.605   0.366
  180    HZ2  LYS  22           1HZ      LYS  22  -6.801   2.743   1.265
  181    HZ3  LYS  22           2HZ      LYS  22  -8.240   1.999   0.794
  182    H    PHE  23           H        PHE  23  -1.268   5.804   0.769
  183    HA   PHE  23           HA       PHE  23  -1.627   5.331   3.521
  184    HB2  PHE  23           2HB      PHE  23   0.535   5.139   2.266
  185    HB3  PHE  23           3HB      PHE  23   0.593   6.890   2.138
  186    HD1  PHE  23           HD2      PHE  23   0.322   4.209   4.753
  187    HD2  PHE  23           HD1      PHE  23   1.895   8.057   3.739
  188    HE1  PHE  23           HE2      PHE  23   1.542   4.269   6.878
  189    HE2  PHE  23           HE1      PHE  23   3.118   8.109   5.874
  190    HZ   PHE  23           HZ       PHE  23   2.943   6.216   7.447
  191    H    SER  24           H        SER  24  -1.415   8.368   1.690
  192    HA   SER  24           HA       SER  24  -1.411  10.251   3.729
  193    HB2  SER  24           2HB      SER  24  -0.995  10.810   1.358
  194    HB3  SER  24           3HB      SER  24  -2.688  10.509   0.972
  195    HG   SER  24           HG       SER  24  -1.509  12.639   2.359
  196    H    HIS  25           H        HIS  25  -4.202   8.666   2.169
  197    HA   HIS  25           HA       HIS  25  -6.183  10.162   3.634
  198    HB2  HIS  25           2HB      HIS  25  -6.598   9.374   1.348
  199    HB3  HIS  25           3HB      HIS  25  -6.362   7.705   1.841
  200    HD1  HIS  25           HD1      HIS  25  -8.792  10.582   2.341
  201    HD2  HIS  25           HD2      HIS  25  -8.647   6.441   2.664
  202    HE1  HIS  25           HE1      HIS  25 -11.149   9.862   2.797
  203    HE2  HIS  25           HE2      HIS  25 -11.056   7.353   2.856
  204    H    GLN  26           H        GLN  26  -4.867   6.826   3.764
  205    HA   GLN  26           HA       GLN  26  -5.745   6.557   6.556
  206    HB2  GLN  26           2HB      GLN  26  -6.785   4.389   6.244
  207    HB3  GLN  26           3HB      GLN  26  -7.556   5.544   5.163
  208    HG2  GLN  26           2HG      GLN  26  -6.223   4.632   3.277
  209    HG3  GLN  26           3HG      GLN  26  -5.508   3.451   4.376
  210   HE21  GLN  26          1HE2      GLN  26  -6.862   1.785   5.208
  211   HE22  GLN  26          2HE2      GLN  26  -8.335   1.345   4.425
  212    H    LYS  27           H        LYS  27  -4.208   5.683   7.788
  213    HA   LYS  27           HA       LYS  27  -1.615   5.079   6.664
  214    HB2  LYS  27           2HB      LYS  27  -2.562   5.090   9.560
  215    HB3  LYS  27           3HB      LYS  27  -0.880   5.057   9.037
  216    HG2  LYS  27           2HG      LYS  27  -2.872   7.309   8.585
  217    HG3  LYS  27           3HG      LYS  27  -1.527   7.316   9.730
  218    HD2  LYS  27           2HD      LYS  27   0.100   7.413   7.970
  219    HD3  LYS  27           3HD      LYS  27  -1.091   7.000   6.737
  220    HE2  LYS  27           2HE      LYS  27  -1.002   9.591   8.312
  221    HE3  LYS  27           3HE      LYS  27  -0.504   9.377   6.635
  222    HZ1  LYS  27           3HZ      LYS  27  -3.252   9.044   7.704
  223    HZ2  LYS  27           1HZ      LYS  27  -2.793   8.742   6.103
  224    HZ3  LYS  27           2HZ      LYS  27  -2.696  10.309   6.733
  225    H    TYR  28           H        TYR  28  -4.258   3.239   7.956
  226    HA   TYR  28           HA       TYR  28  -2.682   0.716   7.931
  227    HB2  TYR  28           2HB      TYR  28  -5.253   1.265   9.486
  228    HB3  TYR  28           3HB      TYR  28  -4.234  -0.167   9.595
  229    HD1  TYR  28           HD2      TYR  28  -2.056  -0.058  10.818
  230    HD2  TYR  28           HD1      TYR  28  -4.663   3.323  10.661
  231    HE1  TYR  28           HE2      TYR  28  -0.860   0.960  12.704
  232    HE2  TYR  28           HE1      TYR  28  -3.479   4.331  12.547
  233    HH   TYR  28           HH       TYR  28  -2.080   3.613  14.446
  234    H    LEU  29           H        LEU  29  -3.246  -0.647   6.293
  235    HA   LEU  29           HA       LEU  29  -5.971  -0.563   5.142
  236    HB2  LEU  29           2HB      LEU  29  -3.545  -2.137   4.187
  237    HB3  LEU  29           3HB      LEU  29  -5.098  -2.036   3.372
  238    HG   LEU  29           HG       LEU  29  -2.968   0.110   3.618
  239   HD11  LEU  29          1HD1      LEU  29  -2.676  -1.509   1.817
  240   HD12  LEU  29          2HD1      LEU  29  -3.037   0.091   1.178
  241   HD13  LEU  29          3HD1      LEU  29  -4.293  -1.152   1.203
  242   HD21  LEU  29          3HD2      LEU  29  -4.464   1.674   2.459
  243   HD22  LEU  29          1HD2      LEU  29  -5.093   1.239   4.046
  244   HD23  LEU  29          2HD2      LEU  29  -5.795   0.522   2.593
  245    H    SER  30           H        SER  30  -7.432  -2.105   5.668
  246    HA   SER  30           HA       SER  30  -6.678  -4.584   7.056
  247    HB2  SER  30           2HB      SER  30  -9.388  -3.640   6.009
  248    HB3  SER  30           3HB      SER  30  -9.124  -5.103   6.966
  249    HG   SER  30           HG       SER  30  -8.255  -2.603   7.903
  250    H    ALA  31           H        ALA  31  -7.847  -6.627   6.002
  251    HA   ALA  31           HA       ALA  31  -6.448  -7.433   3.773
  252    HB1  ALA  31           3HB      ALA  31  -7.934  -9.384   3.673
  253    HB2  ALA  31           1HB      ALA  31  -9.115  -8.553   4.692
  254    HB3  ALA  31           2HB      ALA  31  -7.535  -8.987   5.344
  255    HA   PRO  32           HA       PRO  32 -10.289  -6.377   0.775
  256    HB2  PRO  32           2HB      PRO  32 -11.384  -4.002   2.272
  257    HB3  PRO  32           3HB      PRO  32 -12.244  -5.229   1.313
  258    HG2  PRO  32           2HG      PRO  32 -12.375  -5.301   3.957
  259    HG3  PRO  32           3HG      PRO  32 -12.191  -6.809   3.026
  260    HD2  PRO  32           2HD      PRO  32 -10.093  -5.271   4.546
  261    HD3  PRO  32           3HD      PRO  32 -10.372  -7.025   4.464
  262    H    GLU  33           H        GLU  33  -9.064  -3.474   2.589
  263    HA   GLU  33           HA       GLU  33  -8.710  -1.837   0.284
  264    HB2  GLU  33           2HB      GLU  33  -7.277  -1.521   2.959
  265    HB3  GLU  33           3HB      GLU  33  -7.436  -0.292   1.718
  266    HG2  GLU  33           2HG      GLU  33  -9.079   0.418   3.139
  267    HG3  GLU  33           3HG      GLU  33 -10.036  -0.662   2.131
  268    H    ARG  34           H        ARG  34  -6.617  -4.054   1.960
  269    HA   ARG  34           HA       ARG  34  -4.115  -3.280   0.819
  270    HB2  ARG  34           2HB      ARG  34  -4.401  -4.398   3.017
  271    HB3  ARG  34           3HB      ARG  34  -4.976  -5.849   2.203
  272    HG2  ARG  34           2HG      ARG  34  -2.731  -6.049   1.110
  273    HG3  ARG  34           3HG      ARG  34  -2.183  -4.671   2.074
  274    HD2  ARG  34           2HD      ARG  34  -1.542  -6.827   3.111
  275    HD3  ARG  34           3HD      ARG  34  -2.649  -5.911   4.147
  276    HE   ARG  34           HE       ARG  34  -3.916  -7.833   2.374
  277   HH11  ARG  34          1HH1      ARG  34  -2.646  -7.349   5.563
  278   HH12  ARG  34          2HH1      ARG  34  -3.519  -8.690   6.211
  279   HH21  ARG  34          1HH2      ARG  34  -5.008  -9.516   3.215
  280   HH22  ARG  34          2HH2      ARG  34  -4.844  -9.903   4.900
  281    H    ALA  35           H        ALA  35  -6.411  -5.950   0.172
  282    HA   ALA  35           HA       ALA  35  -5.015  -7.129  -2.017
  283    HB1  ALA  35           3HB      ALA  35  -7.960  -7.319  -1.289
  284    HB2  ALA  35           1HB      ALA  35  -6.679  -8.370  -0.685
  285    HB3  ALA  35           2HB      ALA  35  -7.097  -8.390  -2.400
  286    H    HIS  36           H        HIS  36  -7.601  -4.731  -1.793
  287    HA   HIS  36           HA       HIS  36  -8.190  -4.400  -4.509
  288    HB2  HIS  36           2HB      HIS  36  -9.612  -3.563  -2.662
  289    HB3  HIS  36           3HB      HIS  36  -8.385  -2.374  -2.241
  290    HD1  HIS  36           HD1      HIS  36 -10.784  -3.202  -5.081
  291    HD2  HIS  36           HD2      HIS  36  -8.647   0.017  -3.559
  292    HE1  HIS  36           HE1      HIS  36 -11.533  -1.211  -6.397
  293    HE2  HIS  36           HE2      HIS  36 -10.356   0.733  -5.341
  294    H    LEU  37           H        LEU  37  -5.938  -2.533  -2.420
  295    HA   LEU  37           HA       LEU  37  -4.909  -0.860  -4.487
  296    HB2  LEU  37           2HB      LEU  37  -4.742  -0.316  -2.066
  297    HB3  LEU  37           3HB      LEU  37  -3.630  -1.656  -1.842
  298    HG   LEU  37           HG       LEU  37  -1.995  -0.504  -3.377
  299   HD11  LEU  37          1HD1      LEU  37  -3.538   0.868  -4.687
  300   HD12  LEU  37          2HD1      LEU  37  -2.276   1.856  -3.958
  301   HD13  LEU  37          3HD1      LEU  37  -3.902   1.853  -3.267
  302   HD21  LEU  37          3HD2      LEU  37  -2.825   1.060  -0.920
  303   HD22  LEU  37          1HD2      LEU  37  -1.281   1.222  -1.760
  304   HD23  LEU  37          2HD2      LEU  37  -1.706  -0.300  -0.986
  305    H    ALA  38           H        ALA  38  -3.919  -4.012  -3.193
  306    HA   ALA  38           HA       ALA  38  -1.488  -4.412  -4.501
  307    HB1  ALA  38           3HB      ALA  38  -3.591  -6.504  -3.826
  308    HB2  ALA  38           1HB      ALA  38  -2.332  -5.913  -2.742
  309    HB3  ALA  38           2HB      ALA  38  -1.890  -6.825  -4.187
  310    H    LYS  39           H        LYS  39  -4.709  -5.601  -5.617
  311    HA   LYS  39           HA       LYS  39  -3.799  -6.551  -8.114
  312    HB2  LYS  39           2HB      LYS  39  -6.162  -6.850  -8.700
  313    HB3  LYS  39           3HB      LYS  39  -5.845  -7.392  -7.058
  314    HG2  LYS  39           2HG      LYS  39  -6.830  -5.277  -6.188
  315    HG3  LYS  39           3HG      LYS  39  -7.214  -4.798  -7.846
  316    HD2  LYS  39           2HD      LYS  39  -8.669  -6.796  -8.078
  317    HD3  LYS  39           3HD      LYS  39  -8.276  -7.281  -6.430
  318    HE2  LYS  39           2HE      LYS  39  -9.349  -5.233  -5.577
  319    HE3  LYS  39           3HE      LYS  39  -9.731  -4.738  -7.225
  320    HZ1  LYS  39           3HZ      LYS  39 -11.118  -6.689  -7.456
  321    HZ2  LYS  39           1HZ      LYS  39 -11.621  -5.772  -6.123
  322    HZ3  LYS  39           2HZ      LYS  39 -10.730  -7.194  -5.891
  323    H    ASN  40           H        ASN  40  -5.126  -3.387  -7.203
  324    HA   ASN  40           HA       ASN  40  -5.386  -2.241  -9.772
  325    HB2  ASN  40           2HB      ASN  40  -4.871  -0.973  -7.057
  326    HB3  ASN  40           3HB      ASN  40  -5.053  -0.003  -8.518
  327   HD21  ASN  40          1HD2      ASN  40  -6.723  -0.068  -6.139
  328   HD22  ASN  40          2HD2      ASN  40  -8.312  -0.439  -6.692
  329    H    LEU  41           H        LEU  41  -2.545  -2.513  -7.657
  330    HA   LEU  41           HA       LEU  41  -0.815  -1.208  -9.688
  331    HB2  LEU  41           2HB      LEU  41  -0.106  -2.071  -6.860
  332    HB3  LEU  41           3HB      LEU  41   0.871  -1.072  -7.928
  333    HG   LEU  41           HG       LEU  41  -1.749  -0.287  -6.584
  334   HD11  LEU  41          1HD1      LEU  41  -0.402   1.391  -5.417
  335   HD12  LEU  41          2HD1      LEU  41   1.057   0.787  -6.207
  336   HD13  LEU  41          3HD1      LEU  41   0.169  -0.244  -5.083
  337   HD21  LEU  41          3HD2      LEU  41  -1.710   0.678  -8.835
  338   HD22  LEU  41          1HD2      LEU  41  -0.104   1.355  -8.542
  339   HD23  LEU  41          2HD2      LEU  41  -1.494   1.924  -7.614
  340    H    LYS  42           H        LYS  42  -1.970  -4.194  -9.302
  341    HA   LYS  42           HA       LYS  42  -1.443  -6.319  -9.751
  342    HB2  LYS  42           2HB      LYS  42   0.917  -5.096 -11.213
  343    HB3  LYS  42           3HB      LYS  42   0.414  -6.777 -11.375
  344    HG2  LYS  42           2HG      LYS  42  -1.279  -4.359 -12.085
  345    HG3  LYS  42           3HG      LYS  42  -0.385  -5.347 -13.240
  346    HD2  LYS  42           2HD      LYS  42  -1.765  -7.327 -12.576
  347    HD3  LYS  42           3HD      LYS  42  -2.683  -6.298 -11.470
  348    HE2  LYS  42           2HE      LYS  42  -3.920  -6.623 -13.557
  349    HE3  LYS  42           3HE      LYS  42  -3.439  -4.932 -13.396
  350    HZ1  LYS  42           3HZ      LYS  42  -3.067  -5.757 -15.632
  351    HZ2  LYS  42           1HZ      LYS  42  -2.052  -6.973 -15.047
  352    HZ3  LYS  42           2HZ      LYS  42  -1.599  -5.352 -14.903
  353    H    LEU  43           H        LEU  43  -0.035  -4.837  -7.423
  354    HA   LEU  43           HA       LEU  43   2.222  -6.497  -6.693
  355    HB2  LEU  43           2HB      LEU  43   0.562  -4.553  -5.036
  356    HB3  LEU  43           3HB      LEU  43   2.052  -5.309  -4.485
  357    HG   LEU  43           HG       LEU  43   1.787  -3.317  -6.770
  358   HD11  LEU  43          1HD1      LEU  43   3.078  -2.978  -4.046
  359   HD12  LEU  43          2HD1      LEU  43   1.555  -2.259  -4.576
  360   HD13  LEU  43          3HD1      LEU  43   3.066  -1.786  -5.351
  361   HD21  LEU  43          3HD2      LEU  43   4.246  -3.376  -6.901
  362   HD22  LEU  43          1HD2      LEU  43   3.534  -4.940  -7.292
  363   HD23  LEU  43          2HD2      LEU  43   4.287  -4.683  -5.715
  364    H    THR  44           H        THR  44   2.097  -7.509  -4.353
  365    HA   THR  44           HA       THR  44  -0.365  -9.144  -4.071
  366    HB   THR  44           HB       THR  44   0.933 -10.716  -2.704
  367    HG1  THR  44           HG1      THR  44   3.428  -9.659  -3.206
  368   HG21  THR  44          3HG2      THR  44   2.422 -10.064  -5.271
  369   HG22  THR  44          1HG2      THR  44   0.986 -11.083  -5.142
  370   HG23  THR  44          2HG2      THR  44   2.502 -11.594  -4.396
  371    H    GLU  45           H        GLU  45  -1.274  -9.411  -1.954
  372    HA   GLU  45           HA       GLU  45  -1.563  -7.203  -0.307
  373    HB2  GLU  45           2HB      GLU  45  -1.858 -10.141   0.443
  374    HB3  GLU  45           3HB      GLU  45  -2.412  -8.803   1.448
  375    HG2  GLU  45           2HG      GLU  45  -3.894  -8.093  -0.472
  376    HG3  GLU  45           3HG      GLU  45  -3.450  -9.597  -1.285
  377    H    THR  46           H        THR  46   0.775  -9.867  -0.009
  378    HA   THR  46           HA       THR  46   2.018  -9.212   2.380
  379    HB   THR  46           HB       THR  46   3.361 -10.349  -0.109
  380    HG1  THR  46           HG1      THR  46   2.739 -12.350   0.699
  381   HG21  THR  46          3HG2      THR  46   4.131 -10.563   2.829
  382   HG22  THR  46          1HG2      THR  46   5.003  -9.650   1.595
  383   HG23  THR  46          2HG2      THR  46   4.927 -11.408   1.501
  384    H    GLN  47           H        GLN  47   3.059  -8.189  -0.925
  385    HA   GLN  47           HA       GLN  47   5.242  -6.582  -0.217
  386    HB2  GLN  47           2HB      GLN  47   3.370  -6.393  -2.609
  387    HB3  GLN  47           3HB      GLN  47   4.878  -5.489  -2.480
  388    HG2  GLN  47           2HG      GLN  47   6.180  -7.528  -2.501
  389    HG3  GLN  47           3HG      GLN  47   4.720  -8.516  -2.427
  390   HE21  GLN  47          1HE2      GLN  47   6.907  -8.323  -4.454
  391   HE22  GLN  47          2HE2      GLN  47   6.108  -8.024  -5.953
  392    H    VAL  48           H        VAL  48   1.856  -5.625  -0.772
  393    HA   VAL  48           HA       VAL  48   2.098  -2.846  -0.284
  394    HB   VAL  48           HB       VAL  48  -0.324  -4.684   0.044
  395   HG11  VAL  48          1HG1      VAL  48  -0.283  -1.647  -0.142
  396   HG12  VAL  48          2HG1      VAL  48  -0.711  -2.601   1.280
  397   HG13  VAL  48          3HG1      VAL  48  -1.732  -2.658  -0.156
  398   HG21  VAL  48          3HG2      VAL  48  -0.977  -3.898  -2.209
  399   HG22  VAL  48          1HG2      VAL  48   0.595  -4.698  -2.241
  400   HG23  VAL  48          2HG2      VAL  48   0.501  -2.937  -2.313
  401    H    LYS  49           H        LYS  49   1.440  -5.580   1.899
  402    HA   LYS  49           HA       LYS  49   0.889  -4.082   4.266
  403    HB2  LYS  49           2HB      LYS  49   0.223  -6.478   3.808
  404    HB3  LYS  49           3HB      LYS  49   1.896  -6.950   4.063
  405    HG2  LYS  49           2HG      LYS  49   1.768  -6.232   6.404
  406    HG3  LYS  49           3HG      LYS  49   0.132  -5.622   6.149
  407    HD2  LYS  49           2HD      LYS  49  -0.010  -7.777   7.253
  408    HD3  LYS  49           3HD      LYS  49  -0.624  -7.942   5.607
  409    HE2  LYS  49           2HE      LYS  49   0.736  -9.870   6.090
  410    HE3  LYS  49           3HE      LYS  49   1.636  -8.873   4.947
  411    HZ1  LYS  49           3HZ      LYS  49   2.064  -8.966   7.884
  412    HZ2  LYS  49           1HZ      LYS  49   2.937  -8.007   6.798
  413    HZ3  LYS  49           2HZ      LYS  49   3.047  -9.689   6.718
  414    H    ILE  50           H        ILE  50   3.854  -5.514   2.928
  415    HA   ILE  50           HA       ILE  50   5.662  -4.950   5.026
  416    HB   ILE  50           HB       ILE  50   6.201  -5.146   2.018
  417   HG12  ILE  50          2HG1      ILE  50   6.646  -7.286   4.157
  418   HG13  ILE  50          3HG1      ILE  50   5.238  -7.224   3.105
  419   HG21  ILE  50          1HG2      ILE  50   8.583  -5.560   2.608
  420   HG22  ILE  50          2HG2      ILE  50   8.211  -5.248   4.305
  421   HG23  ILE  50          3HG2      ILE  50   8.049  -3.955   3.118
  422   HD11  ILE  50          3HD1      ILE  50   6.648  -7.546   1.156
  423   HD12  ILE  50          1HD1      ILE  50   6.882  -8.838   2.331
  424   HD13  ILE  50          2HD1      ILE  50   8.087  -7.559   2.179
  425    H    TRP  51           H        TRP  51   4.669  -3.083   2.135
  426    HA   TRP  51           HA       TRP  51   6.379  -0.872   2.474
  427    HB2  TRP  51           2HB      TRP  51   5.087  -1.402   0.370
  428    HB3  TRP  51           3HB      TRP  51   3.624  -0.838   1.167
  429    HD1  TRP  51           HD1      TRP  51   6.878   0.487  -0.395
  430    HE1  TRP  51           HE1      TRP  51   6.660   3.000  -0.779
  431    HE3  TRP  51           HE3      TRP  51   2.507   1.326   2.081
  432    HZ2  TRP  51           HZ2      TRP  51   4.926   5.076  -0.101
  433    HZ3  TRP  51           HZ3      TRP  51   1.639   3.620   2.193
  434    HH2  TRP  51           HH2      TRP  51   2.830   5.467   1.120
  435    H    PHE  52           H        PHE  52   2.871  -1.092   3.350
  436    HA   PHE  52           HA       PHE  52   2.698   1.349   4.721
  437    HB2  PHE  52           2HB      PHE  52   1.001  -1.152   4.758
  438    HB3  PHE  52           3HB      PHE  52   0.661   0.124   5.924
  439    HD1  PHE  52           HD1      PHE  52   0.903  -0.575   2.252
  440    HD2  PHE  52           HD2      PHE  52  -0.514   2.105   5.267
  441    HE1  PHE  52           HE1      PHE  52  -0.329   0.697   0.553
  442    HE2  PHE  52           HE2      PHE  52  -1.751   3.364   3.560
  443    HZ   PHE  52           HZ       PHE  52  -1.655   2.670   1.201
  444    H    GLN  53           H        GLN  53   3.675  -1.833   5.954
  445    HA   GLN  53           HA       GLN  53   3.956  -1.230   8.693
  446    HB2  GLN  53           2HB      GLN  53   4.214  -3.521   7.873
  447    HB3  GLN  53           3HB      GLN  53   5.600  -3.057   6.892
  448    HG2  GLN  53           2HG      GLN  53   6.762  -2.458   9.122
  449    HG3  GLN  53           3HG      GLN  53   5.446  -3.335   9.902
  450   HE21  GLN  53          1HE2      GLN  53   8.246  -3.618   7.829
  451   HE22  GLN  53          2HE2      GLN  53   8.409  -5.333   7.967
  452    H    ASN  54           H        ASN  54   6.366  -1.002   6.068
  453    HA   ASN  54           HA       ASN  54   8.516  -0.035   7.588
  454    HB2  ASN  54           2HB      ASN  54   7.977   0.158   4.602
  455    HB3  ASN  54           3HB      ASN  54   9.509   0.620   5.345
  456   HD21  ASN  54          1HD2      ASN  54   8.999  -1.467   3.380
  457   HD22  ASN  54          2HD2      ASN  54   9.534  -2.943   4.095
  458    H    ARG  55           H        ARG  55   6.112   1.755   5.645
  459    HA   ARG  55           HA       ARG  55   7.293   4.312   5.904
  460    HB2  ARG  55           2HB      ARG  55   4.381   3.625   5.412
  461    HB3  ARG  55           3HB      ARG  55   5.127   5.197   5.116
  462    HG2  ARG  55           2HG      ARG  55   5.794   2.602   3.699
  463    HG3  ARG  55           3HG      ARG  55   4.847   3.934   3.049
  464    HD2  ARG  55           2HD      ARG  55   7.797   4.019   3.767
  465    HD3  ARG  55           3HD      ARG  55   7.112   3.956   2.133
  466    HE   ARG  55           HE       ARG  55   6.760   6.220   4.019
  467   HH11  ARG  55          1HH1      ARG  55   7.130   5.125   0.731
  468   HH12  ARG  55          2HH1      ARG  55   7.050   6.734   0.101
  469   HH21  ARG  55          2HH2      ARG  55   6.699   8.231   3.168
  470   HH22  ARG  55          1HH2      ARG  55   6.826   8.460   1.458
  471    H    ARG  56           H        ARG  56   4.999   2.577   7.969
  472    HA   ARG  56           HA       ARG  56   4.546   4.827   9.750
  473    HB2  ARG  56           2HB      ARG  56   3.818   1.876   9.977
  474    HB3  ARG  56           3HB      ARG  56   3.373   3.094  11.173
  475    HG2  ARG  56           2HG      ARG  56   2.041   4.297   9.480
  476    HG3  ARG  56           3HG      ARG  56   2.516   3.118   8.255
  477    HD2  ARG  56           2HD      ARG  56   0.867   2.525  10.744
  478    HD3  ARG  56           3HD      ARG  56   0.242   2.686   9.104
  479    HE   ARG  56           HE       ARG  56   1.440   0.679   8.501
  480   HH11  ARG  56          1HH1      ARG  56   1.247   1.200  11.928
  481   HH12  ARG  56          2HH1      ARG  56   1.457  -0.477  12.291
  482   HH21  ARG  56          1HH2      ARG  56   1.723  -1.439   9.001
  483   HH22  ARG  56          2HH2      ARG  56   1.729  -1.948  10.653
  484    H    TYR  57           H        TYR  57   6.846   2.237   9.445
  485    HA   TYR  57           HA       TYR  57   7.975   2.479  12.110
  486    HB2  TYR  57           2HB      TYR  57   7.926   0.332  10.738
  487    HB3  TYR  57           3HB      TYR  57   9.119   1.054   9.668
  488    HD1  TYR  57           HD1      TYR  57   8.554  -0.017  13.205
  489    HD2  TYR  57           HD2      TYR  57  11.473   0.913  10.226
  490    HE1  TYR  57           HE1      TYR  57  10.330  -0.835  14.692
  491    HE2  TYR  57           HE2      TYR  57  13.245   0.090  11.711
  492    HH   TYR  57           HH       TYR  57  13.576  -0.191  14.192
  493    H    LYS  58           H        LYS  58   8.468   3.907   8.983
  494    HA   LYS  58           HA       LYS  58  11.070   5.092   9.599
  495    HB2  LYS  58           2HB      LYS  58   9.354   5.172   7.092
  496    HB3  LYS  58           3HB      LYS  58  10.902   6.004   7.250
  497    HG2  LYS  58           2HG      LYS  58  12.046   3.866   7.594
  498    HG3  LYS  58           3HG      LYS  58  10.507   3.007   7.502
  499    HD2  LYS  58           2HD      LYS  58  10.241   3.754   5.147
  500    HD3  LYS  58           3HD      LYS  58  11.784   4.610   5.250
  501    HE2  LYS  58           2HE      LYS  58  12.921   2.445   5.700
  502    HE3  LYS  58           3HE      LYS  58  11.375   1.614   5.515
  503    HZ1  LYS  58           3HZ      LYS  58  12.594   3.283   3.390
  504    HZ2  LYS  58           1HZ      LYS  58  11.280   2.234   3.253
  505    HZ3  LYS  58           2HZ      LYS  58  12.829   1.617   3.509
  506    H    THR  59           H        THR  59   7.755   5.986   9.869
  507    HA   THR  59           HA       THR  59   8.231   8.854   9.500
  508    HB   THR  59           HB       THR  59   6.050   7.901   8.729
  509    HG1  THR  59           HG1      THR  59   6.369  10.146   9.444
  510   HG21  THR  59          3HG2      THR  59   4.270   7.374  10.339
  511   HG22  THR  59          1HG2      THR  59   5.382   7.622  11.687
  512   HG23  THR  59          2HG2      THR  59   5.630   6.276  10.574
  513    H    LYS  60           H        LYS  60   7.928  10.412  11.140
  514    HA   LYS  60           HA       LYS  60   9.232   9.864  13.574
  515    HB2  LYS  60           2HB      LYS  60   9.033  12.076  12.193
  516    HB3  LYS  60           3HB      LYS  60   7.511  12.331  13.026
  517    HG2  LYS  60           2HG      LYS  60  10.197  12.045  14.403
  518    HG3  LYS  60           3HG      LYS  60   9.482  13.585  13.956
  519    HD2  LYS  60           2HD      LYS  60   8.123  11.630  15.845
  520    HD3  LYS  60           3HD      LYS  60   9.256  12.859  16.397
  521    HE2  LYS  60           2HE      LYS  60   6.992  13.652  16.716
  522    HE3  LYS  60           3HE      LYS  60   7.761  14.622  15.467
  523    HZ1  LYS  60           3HZ      LYS  60   6.542  13.392  13.797
  524    HZ2  LYS  60           1HZ      LYS  60   5.467  14.023  14.938
  525    HZ3  LYS  60           2HZ      LYS  60   5.867  12.382  14.972
  526    H    ARG  61           H        ARG  61   8.128   8.295  14.813
  527    HA   ARG  61           HA       ARG  61   5.392   8.870  15.763
  528    HB2  ARG  61           2HB      ARG  61   7.159   6.443  16.288
  529    HB3  ARG  61           3HB      ARG  61   5.492   6.634  16.832
  530    HG2  ARG  61           2HG      ARG  61   4.985   6.934  14.258
  531    HG3  ARG  61           3HG      ARG  61   6.542   6.128  14.051
  532    HD2  ARG  61           2HD      ARG  61   4.108   5.044  15.520
  533    HD3  ARG  61           3HD      ARG  61   4.738   4.491  13.965
  534    HE   ARG  61           HE       ARG  61   6.795   3.853  15.275
  535   HH11  ARG  61          1HH1      ARG  61   3.730   3.915  16.886
  536   HH12  ARG  61          2HH1      ARG  61   4.132   2.591  17.916
  537   HH21  ARG  61          1HH2      ARG  61   7.276   2.179  16.602
  538   HH22  ARG  61          2HH2      ARG  61   6.121   1.625  17.768
  539    H    LYS  62           H        LYS  62   4.857   9.015  17.979
  540    HA   LYS  62           HA       LYS  62   6.818  10.347  19.639
  541    HB2  LYS  62           2HB      LYS  62   4.477  11.163  19.559
  542    HB3  LYS  62           3HB      LYS  62   3.919   9.637  20.242
  543    HG2  LYS  62           2HG      LYS  62   5.262  10.106  22.300
  544    HG3  LYS  62           3HG      LYS  62   5.708  11.676  21.623
  545    HD2  LYS  62           2HD      LYS  62   3.316  12.336  21.606
  546    HD3  LYS  62           3HD      LYS  62   2.873  10.760  22.271
  547    HE2  LYS  62           2HE      LYS  62   4.211  11.262  24.297
  548    HE3  LYS  62           3HE      LYS  62   4.611  12.847  23.632
  549    HZ1  LYS  62           3HZ      LYS  62   2.291  13.441  23.695
  550    HZ2  LYS  62           1HZ      LYS  62   2.780  12.924  25.232
  551    HZ3  LYS  62           2HZ      LYS  62   1.865  11.904  24.247
  552    H    GLN  63           H        GLN  63   8.327   8.878  20.291
  553    HA   GLN  63           HA       GLN  63   7.500   6.754  22.212
  554    HB2  GLN  63           2HB      GLN  63   9.894   6.732  20.311
  555    HB3  GLN  63           3HB      GLN  63   9.492   5.469  21.468
  556    HG2  GLN  63           2HG      GLN  63   7.415   4.994  20.201
  557    HG3  GLN  63           3HG      GLN  63   7.859   6.238  19.029
  558   HE21  GLN  63          1HE2      GLN  63   7.481   3.360  18.670
  559   HE22  GLN  63          2HE2      GLN  63   8.951   2.768  17.997
  560    H    LEU  64           H        LEU  64  10.138   6.195  23.146
  561    HA   LEU  64           HA       LEU  64  11.031   8.425  24.657
  562    HB2  LEU  64           2HB      LEU  64  12.916   7.107  25.300
  563    HB3  LEU  64           3HB      LEU  64  11.544   6.025  25.210
  564    HG   LEU  64           HG       LEU  64  13.734   6.216  23.093
  565   HD11  LEU  64          1HD1      LEU  64  14.651   5.350  25.190
  566   HD12  LEU  64          2HD1      LEU  64  14.594   4.093  23.958
  567   HD13  LEU  64          3HD1      LEU  64  13.392   4.112  25.252
  568   HD21  LEU  64          3HD2      LEU  64  11.518   4.153  23.379
  569   HD22  LEU  64          1HD2      LEU  64  12.824   4.117  22.188
  570   HD23  LEU  64          2HD2      LEU  64  11.623   5.405  22.139
  571    H    SER  65           H        SER  65  11.742   7.338  21.400
  572    HA   SER  65           HA       SER  65  13.088   9.858  20.756
  573    HB2  SER  65           2HB      SER  65  14.985   8.379  21.322
  574    HB3  SER  65           3HB      SER  65  14.387   7.142  20.215
  575    HG   SER  65           HG       SER  65  15.322   8.168  18.629
  576    H    SER  66           H        SER  66  13.276  10.181  18.389
  577    HA   SER  66           HA       SER  66  10.846   9.596  17.031
  578    HB2  SER  66           2HB      SER  66  12.031  11.672  16.581
  579    HB3  SER  66           3HB      SER  66  13.457  10.797  16.027
  580    HG   SER  66           HG       SER  66  12.384  11.377  14.213
  581    H    GLU  67           H        GLU  67  10.328   7.624  16.176
  582    HA   GLU  67           HA       GLU  67  12.299   5.647  15.463
  583    HB2  GLU  67           2HB      GLU  67  10.068   5.094  16.485
  584    HB3  GLU  67           3HB      GLU  67   9.288   5.539  14.969
  585    HG2  GLU  67           2HG      GLU  67  10.618   3.749  13.820
  586    HG3  GLU  67           3HG      GLU  67  11.287   3.281  15.381
  587    H    LEU  68           H        LEU  68  13.510   6.424  13.728
  588    HA   LEU  68           HA       LEU  68  12.137   6.762  11.106
  589    HB2  LEU  68           2HB      LEU  68  14.900   7.803  11.866
  590    HB3  LEU  68           3HB      LEU  68  14.014   8.150  10.389
  591    HG   LEU  68           HG       LEU  68  13.185   9.086  13.169
  592   HD11  LEU  68          1HD1      LEU  68  15.266  10.159  12.475
  593   HD12  LEU  68          2HD1      LEU  68  13.936  11.312  12.512
  594   HD13  LEU  68          3HD1      LEU  68  14.515  10.684  10.965
  595   HD21  LEU  68          3HD2      LEU  68  11.569  10.536  12.028
  596   HD22  LEU  68          1HD2      LEU  68  11.255   8.841  11.656
  597   HD23  LEU  68          2HD2      LEU  68  12.044   9.874  10.461
  598    H    GLY  69           H        GLY  69  12.110   4.545  10.565
  599    HA2  GLY  69           2HA      GLY  69  14.242   2.715  10.771
  600    HA3  GLY  69           3HA      GLY  69  12.863   2.554   9.704
  Start of MODEL    2
    1    H1   MET   1           1H       MET   1   8.527   0.119  19.510
    2    H2   MET   1           2H       MET   1   8.940   0.863  18.051
    3    H3   MET   1           3H       MET   1   8.532   1.806  19.396
    4    HA   MET   1           HA       MET   1  10.881   1.854  19.079
    5    HB2  MET   1           2HB      MET   1   9.946   1.867  21.399
    6    HB3  MET   1           3HB      MET   1  10.147   0.122  21.480
    7    HG2  MET   1           2HG      MET   1  12.560   0.353  21.334
    8    HG3  MET   1           3HG      MET   1  12.411   2.096  21.098
    9    HE1  MET   1           3HE      MET   1  14.340   0.835  23.269
   10    HE2  MET   1           1HE      MET   1  14.002   1.859  24.665
   11    HE3  MET   1           2HE      MET   1  14.135   2.575  23.059
   12    H    GLY   2           H        GLY   2   9.569  -1.439  19.043
   13    HA2  GLY   2           2HA      GLY   2  12.032  -2.745  18.310
   14    HA3  GLY   2           3HA      GLY   2  10.403  -3.373  18.099
   15    H    HIS   3           H        HIS   3  12.722  -1.059  16.743
   16    HA   HIS   3           HA       HIS   3  11.194  -0.801  14.250
   17    HB2  HIS   3           2HB      HIS   3  12.726   1.087  13.775
   18    HB3  HIS   3           3HB      HIS   3  11.919   1.262  15.320
   19    HD1  HIS   3           HD1      HIS   3  15.322   0.351  13.904
   20    HD2  HIS   3           HD2      HIS   3  13.617   1.687  17.444
   21    HE1  HIS   3           HE1      HIS   3  17.245   0.940  15.390
   22    HE2  HIS   3           HE2      HIS   3  16.193   1.668  17.555
   23    H    HIS   4           H        HIS   4  11.887  -1.454  12.244
   24    HA   HIS   4           HA       HIS   4  14.603  -2.178  11.643
   25    HB2  HIS   4           2HB      HIS   4  13.575  -4.231  12.911
   26    HB3  HIS   4           3HB      HIS   4  12.634  -4.501  11.452
   27    HD1  HIS   4           HD1      HIS   4  15.835  -5.265  12.993
   28    HD2  HIS   4           HD2      HIS   4  14.408  -5.011   9.094
   29    HE1  HIS   4           HE1      HIS   4  17.491  -6.501  11.587
   30    HE2  HIS   4           HE2      HIS   4  16.710  -6.177   9.224
   31    H    HIS   5           H        HIS   5  14.914  -1.738   9.499
   32    HA   HIS   5           HA       HIS   5  12.752  -1.237   7.647
   33    HB2  HIS   5           2HB      HIS   5  14.833   0.082   7.584
   34    HB3  HIS   5           3HB      HIS   5  15.782  -1.362   7.270
   35    HD1  HIS   5           HD1      HIS   5  14.096   1.391   5.593
   36    HD2  HIS   5           HD2      HIS   5  15.270  -2.456   4.558
   37    HE1  HIS   5           HE1      HIS   5  14.204   1.361   3.097
   38    HE2  HIS   5           HE2      HIS   5  15.084  -0.917   2.508
   39    H    HIS   6           H        HIS   6  11.713  -2.820   6.564
   40    HA   HIS   6           HA       HIS   6  12.898  -5.495   6.233
   41    HB2  HIS   6           2HB      HIS   6  10.030  -4.538   5.902
   42    HB3  HIS   6           3HB      HIS   6  10.562  -6.197   5.654
   43    HD1  HIS   6           HD1      HIS   6  10.750  -3.659   8.529
   44    HD2  HIS   6           HD2      HIS   6  10.031  -7.692   7.855
   45    HE1  HIS   6           HE1      HIS   6  10.182  -4.623  10.763
   46    HE2  HIS   6           HE2      HIS   6   9.528  -6.996  10.286
   47    H    HIS   7           H        HIS   7  12.806  -6.573   4.255
   48    HA   HIS   7           HA       HIS   7  13.281  -4.940   1.896
   49    HB2  HIS   7           2HB      HIS   7  13.427  -7.968   2.264
   50    HB3  HIS   7           3HB      HIS   7  14.014  -7.070   0.866
   51    HD1  HIS   7           HD1      HIS   7  16.256  -5.794   1.131
   52    HD2  HIS   7           HD2      HIS   7  15.079  -7.833   4.552
   53    HE1  HIS   7           HE1      HIS   7  18.256  -5.791   2.636
   54    HE2  HIS   7           HE2      HIS   7  17.452  -6.846   4.770
   55    H    HIS   8           H        HIS   8  12.275  -5.415  -0.181
   56    HA   HIS   8           HA       HIS   8   9.853  -6.945  -0.446
   57    HB2  HIS   8           2HB      HIS   8   8.309  -5.038  -0.934
   58    HB3  HIS   8           3HB      HIS   8   8.863  -5.013   0.735
   59    HD1  HIS   8           HD1      HIS   8   8.879  -3.017  -2.390
   60    HD2  HIS   8           HD2      HIS   8  10.731  -2.901   1.324
   61    HE1  HIS   8           HE1      HIS   8   9.832  -0.714  -2.187
   62    HE2  HIS   8           HE2      HIS   8  11.075  -0.720  -0.008
   63    H    SER   9           H        SER   9   8.881  -6.649  -2.713
   64    HA   SER   9           HA       SER   9  10.827  -6.632  -4.763
   65    HB2  SER   9           2HB      SER   9   7.820  -6.177  -5.028
   66    HB3  SER   9           3HB      SER   9   8.911  -6.622  -6.342
   67    HG   SER   9           HG       SER   9   8.359  -8.573  -5.763
   68    H    HIS  10           H        HIS  10  11.367  -5.078  -6.366
   69    HA   HIS  10           HA       HIS  10  11.484  -2.371  -5.484
   70    HB2  HIS  10           2HB      HIS  10  13.291  -3.403  -6.811
   71    HB3  HIS  10           3HB      HIS  10  12.213  -3.567  -8.192
   72    HD1  HIS  10           HD1      HIS  10  14.349  -1.089  -6.384
   73    HD2  HIS  10           HD2      HIS  10  11.763  -1.155  -9.633
   74    HE1  HIS  10           HE1      HIS  10  14.730   1.069  -7.598
   75    HE2  HIS  10           HE2      HIS  10  13.007   1.086  -9.425
   76    H    MET  11           H        MET  11   9.408  -1.476  -5.295
   77    HA   MET  11           HA       MET  11   7.473  -1.302  -7.347
   78    HB2  MET  11           2HB      MET  11   8.007   0.526  -4.979
   79    HB3  MET  11           3HB      MET  11   6.674   0.795  -6.090
   80    HG2  MET  11           2HG      MET  11   5.736  -0.298  -4.236
   81    HG3  MET  11           3HG      MET  11   5.862  -1.540  -5.480
   82    HE1  MET  11           3HE      MET  11   5.439  -1.953  -2.232
   83    HE2  MET  11           1HE      MET  11   6.453  -3.372  -1.981
   84    HE3  MET  11           2HE      MET  11   5.394  -3.287  -3.387
   85    H    SER  12           H        SER  12   6.926   0.382  -8.793
   86    HA   SER  12           HA       SER  12   9.111   1.877 -10.011
   87    HB2  SER  12           2HB      SER  12   6.146   1.758 -10.729
   88    HB3  SER  12           3HB      SER  12   7.408   2.475 -11.726
   89    HG   SER  12           HG       SER  12   6.667   0.177 -12.117
   90    H    HIS  13           H        HIS  13   8.699   4.255 -10.635
   91    HA   HIS  13           HA       HIS  13   8.521   5.927  -8.402
   92    HB2  HIS  13           2HB      HIS  13   9.633   6.585 -10.511
   93    HB3  HIS  13           3HB      HIS  13   8.088   6.629 -11.340
   94    HD1  HIS  13           HD1      HIS  13  10.271   8.618  -9.051
   95    HD2  HIS  13           HD2      HIS  13   6.540   8.978 -10.856
   96    HE1  HIS  13           HE1      HIS  13   9.612  11.017  -8.769
   97    HE2  HIS  13           HE2      HIS  13   7.307  11.183  -9.753
   98    H    THR  14           H        THR  14   6.070   5.564 -10.994
   99    HA   THR  14           HA       THR  14   4.034   7.138  -9.829
  100    HB   THR  14           HB       THR  14   3.679   4.876 -11.851
  101    HG1  THR  14           HG1      THR  14   4.169   6.375 -13.424
  102   HG21  THR  14          3HG2      THR  14   1.532   5.749 -10.956
  103   HG22  THR  14          1HG2      THR  14   1.739   6.174 -12.658
  104   HG23  THR  14          2HG2      THR  14   2.010   7.386 -11.405
  105    H    GLN  15           H        GLN  15   4.804   3.707  -9.544
  106    HA   GLN  15           HA       GLN  15   2.417   2.758  -8.356
  107    HB2  GLN  15           2HB      GLN  15   4.074   1.309  -9.436
  108    HB3  GLN  15           3HB      GLN  15   5.269   1.712  -8.211
  109    HG2  GLN  15           2HG      GLN  15   4.057   0.507  -6.523
  110    HG3  GLN  15           3HG      GLN  15   2.667   0.293  -7.595
  111   HE21  GLN  15          1HE2      GLN  15   2.736  -1.953  -7.496
  112   HE22  GLN  15          2HE2      GLN  15   3.990  -2.886  -8.214
  113    H    VAL  16           H        VAL  16   5.527   3.738  -6.867
  114    HA   VAL  16           HA       VAL  16   4.824   3.521  -4.162
  115    HB   VAL  16           HB       VAL  16   6.774   5.500  -5.442
  116   HG11  VAL  16          1HG1      VAL  16   6.193   6.262  -3.177
  117   HG12  VAL  16          2HG1      VAL  16   7.853   5.677  -3.220
  118   HG13  VAL  16          3HG1      VAL  16   6.582   4.672  -2.516
  119   HG21  VAL  16          3HG2      VAL  16   7.342   3.150  -5.915
  120   HG22  VAL  16          1HG2      VAL  16   7.309   2.773  -4.193
  121   HG23  VAL  16          2HG2      VAL  16   8.533   3.873  -4.837
  122    H    ILE  17           H        ILE  17   4.288   6.215  -6.450
  123    HA   ILE  17           HA       ILE  17   3.259   8.176  -4.732
  124    HB   ILE  17           HB       ILE  17   2.513   7.561  -7.625
  125   HG12  ILE  17          2HG1      ILE  17   4.409   9.661  -6.477
  126   HG13  ILE  17          3HG1      ILE  17   4.903   8.158  -7.241
  127   HG21  ILE  17          1HG2      ILE  17   1.583   9.845  -7.795
  128   HG22  ILE  17          2HG2      ILE  17   1.839  10.080  -6.065
  129   HG23  ILE  17          3HG2      ILE  17   0.690   8.866  -6.628
  130   HD11  ILE  17          3HD1      ILE  17   5.183  10.002  -8.756
  131   HD12  ILE  17          1HD1      ILE  17   3.488  10.461  -8.580
  132   HD13  ILE  17          2HD1      ILE  17   3.917   8.934  -9.358
  133    H    GLU  18           H        GLU  18   1.475   5.607  -6.492
  134    HA   GLU  18           HA       GLU  18  -1.126   6.211  -5.582
  135    HB2  GLU  18           2HB      GLU  18  -0.068   3.469  -6.377
  136    HB3  GLU  18           3HB      GLU  18  -1.751   3.986  -6.394
  137    HG2  GLU  18           2HG      GLU  18   0.451   5.092  -8.153
  138    HG3  GLU  18           3HG      GLU  18  -0.752   3.909  -8.647
  139    H    LEU  19           H        LEU  19   1.297   3.964  -4.320
  140    HA   LEU  19           HA       LEU  19  -0.100   2.945  -2.100
  141    HB2  LEU  19           2HB      LEU  19   2.862   3.354  -2.632
  142    HB3  LEU  19           3HB      LEU  19   2.268   2.524  -1.205
  143    HG   LEU  19           HG       LEU  19   1.667   1.565  -4.028
  144   HD11  LEU  19          1HD1      LEU  19   3.912   0.632  -2.215
  145   HD12  LEU  19          2HD1      LEU  19   4.095   1.546  -3.715
  146   HD13  LEU  19          3HD1      LEU  19   3.451  -0.093  -3.759
  147   HD21  LEU  19          3HD2      LEU  19   1.464   0.147  -1.346
  148   HD22  LEU  19          1HD2      LEU  19   1.124  -0.567  -2.925
  149   HD23  LEU  19          2HD2      LEU  19   0.114   0.740  -2.316
  150    H    GLU  20           H        GLU  20   1.899   5.914  -2.441
  151    HA   GLU  20           HA       GLU  20   1.814   6.656   0.336
  152    HB2  GLU  20           2HB      GLU  20   2.668   8.173  -2.155
  153    HB3  GLU  20           3HB      GLU  20   2.687   8.914  -0.559
  154    HG2  GLU  20           2HG      GLU  20   4.262   7.158   0.211
  155    HG3  GLU  20           3HG      GLU  20   4.286   6.484  -1.416
  156    H    ARG  21           H        ARG  21  -0.168   7.463  -2.467
  157    HA   ARG  21           HA       ARG  21  -1.768   9.510  -1.395
  158    HB2  ARG  21           2HB      ARG  21  -2.424   7.328  -3.413
  159    HB3  ARG  21           3HB      ARG  21  -3.513   8.667  -3.057
  160    HG2  ARG  21           2HG      ARG  21  -1.949  10.278  -3.943
  161    HG3  ARG  21           3HG      ARG  21  -0.690   9.050  -4.105
  162    HD2  ARG  21           2HD      ARG  21  -1.794   9.626  -6.271
  163    HD3  ARG  21           3HD      ARG  21  -1.937   7.916  -5.849
  164    HE   ARG  21           HE       ARG  21  -4.206   9.305  -4.915
  165   HH11  ARG  21          1HH1      ARG  21  -2.833   8.232  -7.931
  166   HH12  ARG  21          2HH1      ARG  21  -4.382   8.124  -8.690
  167   HH21  ARG  21          1HH2      ARG  21  -6.139   9.128  -5.910
  168   HH22  ARG  21          2HH2      ARG  21  -6.231   8.638  -7.564
  169    H    LYS  22           H        LYS  22  -2.204   5.998  -1.387
  170    HA   LYS  22           HA       LYS  22  -4.589   5.915   0.171
  171    HB2  LYS  22           2HB      LYS  22  -3.814   4.149  -1.453
  172    HB3  LYS  22           3HB      LYS  22  -2.538   3.715  -0.327
  173    HG2  LYS  22           2HG      LYS  22  -4.392   2.129  -0.214
  174    HG3  LYS  22           3HG      LYS  22  -4.204   2.982   1.319
  175    HD2  LYS  22           2HD      LYS  22  -6.140   4.386   0.845
  176    HD3  LYS  22           3HD      LYS  22  -6.261   3.747  -0.796
  177    HE2  LYS  22           2HE      LYS  22  -6.899   1.554   0.052
  178    HE3  LYS  22           3HE      LYS  22  -6.617   2.070   1.716
  179    HZ1  LYS  22           3HZ      LYS  22  -8.444   3.625   1.522
  180    HZ2  LYS  22           1HZ      LYS  22  -8.972   2.065   1.143
  181    HZ3  LYS  22           2HZ      LYS  22  -8.699   3.187  -0.091
  182    H    PHE  23           H        PHE  23  -1.150   5.632   0.942
  183    HA   PHE  23           HA       PHE  23  -1.399   4.977   3.699
  184    HB2  PHE  23           2HB      PHE  23   0.628   4.488   2.370
  185    HB3  PHE  23           3HB      PHE  23   0.941   6.213   2.198
  186    HD1  PHE  23           HD2      PHE  23   0.436   3.609   4.856
  187    HD2  PHE  23           HD1      PHE  23   2.399   7.239   3.745
  188    HE1  PHE  23           HE2      PHE  23   1.687   3.573   6.962
  189    HE2  PHE  23           HE1      PHE  23   3.639   7.202   5.854
  190    HZ   PHE  23           HZ       PHE  23   3.287   5.374   7.468
  191    H    SER  24           H        SER  24  -1.037   8.085   2.005
  192    HA   SER  24           HA       SER  24  -0.796   9.807   4.221
  193    HB2  SER  24           2HB      SER  24  -0.340  10.576   1.928
  194    HB3  SER  24           3HB      SER  24  -2.034  10.357   1.489
  195    HG   SER  24           HG       SER  24  -1.525  12.539   1.994
  196    H    HIS  25           H        HIS  25  -3.620   8.443   2.584
  197    HA   HIS  25           HA       HIS  25  -5.578   9.956   4.030
  198    HB2  HIS  25           2HB      HIS  25  -5.894   9.086   1.701
  199    HB3  HIS  25           3HB      HIS  25  -5.858   7.439   2.322
  200    HD1  HIS  25           HD1      HIS  25  -7.985  10.573   2.429
  201    HD2  HIS  25           HD2      HIS  25  -8.304   6.513   3.257
  202    HE1  HIS  25           HE1      HIS  25 -10.412  10.169   2.887
  203    HE2  HIS  25           HE2      HIS  25 -10.567   7.731   3.468
  204    H    GLN  26           H        GLN  26  -4.102   6.728   4.314
  205    HA   GLN  26           HA       GLN  26  -5.001   6.466   7.061
  206    HB2  GLN  26           2HB      GLN  26  -6.094   4.268   6.747
  207    HB3  GLN  26           3HB      GLN  26  -6.937   5.551   5.887
  208    HG2  GLN  26           2HG      GLN  26  -5.751   4.791   3.782
  209    HG3  GLN  26           3HG      GLN  26  -5.158   3.404   4.704
  210   HE21  GLN  26          1HE2      GLN  26  -6.656   1.813   5.356
  211   HE22  GLN  26          2HE2      GLN  26  -8.221   1.684   4.650
  212    H    LYS  27           H        LYS  27  -3.566   5.419   8.272
  213    HA   LYS  27           HA       LYS  27  -1.023   4.533   7.215
  214    HB2  LYS  27           2HB      LYS  27  -2.195   4.541  10.029
  215    HB3  LYS  27           3HB      LYS  27  -0.515   4.152   9.665
  216    HG2  LYS  27           2HG      LYS  27  -1.797   6.816   8.967
  217    HG3  LYS  27           3HG      LYS  27  -0.944   6.512  10.485
  218    HD2  LYS  27           2HD      LYS  27   1.144   6.210   9.389
  219    HD3  LYS  27           3HD      LYS  27   0.387   6.023   7.807
  220    HE2  LYS  27           2HE      LYS  27   0.368   8.608   9.393
  221    HE3  LYS  27           3HE      LYS  27   1.547   8.217   8.137
  222    HZ1  LYS  27           3HZ      LYS  27  -0.325   7.948   6.581
  223    HZ2  LYS  27           1HZ      LYS  27  -0.194   9.515   7.194
  224    HZ3  LYS  27           2HZ      LYS  27  -1.385   8.478   7.786
  225    H    TYR  28           H        TYR  28  -3.917   3.035   8.464
  226    HA   TYR  28           HA       TYR  28  -2.797   0.296   8.258
  227    HB2  TYR  28           2HB      TYR  28  -5.229   1.231   9.859
  228    HB3  TYR  28           3HB      TYR  28  -4.507  -0.375   9.889
  229    HD1  TYR  28           HD2      TYR  28  -2.371  -0.767  11.102
  230    HD2  TYR  28           HD1      TYR  28  -4.209   3.095  11.092
  231    HE1  TYR  28           HE2      TYR  28  -0.937  -0.071  12.967
  232    HE2  TYR  28           HE1      TYR  28  -2.774   3.785  12.958
  233    HH   TYR  28           HH       TYR  28  -1.453   2.851  14.716
  234    H    LEU  29           H        LEU  29  -3.543  -0.843   6.511
  235    HA   LEU  29           HA       LEU  29  -6.074  -0.142   5.203
  236    HB2  LEU  29           2HB      LEU  29  -4.082  -2.344   4.525
  237    HB3  LEU  29           3HB      LEU  29  -5.471  -1.887   3.550
  238    HG   LEU  29           HG       LEU  29  -2.970  -0.240   4.054
  239   HD11  LEU  29          1HD1      LEU  29  -2.624  -0.411   1.650
  240   HD12  LEU  29          2HD1      LEU  29  -4.095  -1.373   1.479
  241   HD13  LEU  29          3HD1      LEU  29  -2.716  -2.014   2.378
  242   HD21  LEU  29          3HD2      LEU  29  -4.851   1.292   4.094
  243   HD22  LEU  29          1HD2      LEU  29  -5.500   0.602   2.604
  244   HD23  LEU  29          2HD2      LEU  29  -3.969   1.481   2.584
  245    H    SER  30           H        SER  30  -7.870  -1.503   5.060
  246    HA   SER  30           HA       SER  30  -8.065  -3.845   6.815
  247    HB2  SER  30           2HB      SER  30 -10.088  -2.615   4.886
  248    HB3  SER  30           3HB      SER  30 -10.417  -3.959   5.985
  249    HG   SER  30           HG       SER  30 -10.004  -2.583   7.721
  250    H    ALA  31           H        ALA  31  -8.836  -5.940   5.853
  251    HA   ALA  31           HA       ALA  31  -7.083  -6.955   3.958
  252    HB1  ALA  31           3HB      ALA  31  -9.771  -8.107   4.778
  253    HB2  ALA  31           1HB      ALA  31  -8.230  -8.345   5.609
  254    HB3  ALA  31           2HB      ALA  31  -8.469  -8.994   3.986
  255    HA   PRO  32           HA       PRO  32 -10.566  -6.633   0.427
  256    HB2  PRO  32           2HB      PRO  32 -12.308  -4.470   0.753
  257    HB3  PRO  32           3HB      PRO  32 -12.706  -6.146   1.174
  258    HG2  PRO  32           2HG      PRO  32 -11.713  -3.944   2.968
  259    HG3  PRO  32           3HG      PRO  32 -13.037  -5.102   3.240
  260    HD2  PRO  32           2HD      PRO  32 -10.659  -5.501   4.380
  261    HD3  PRO  32           3HD      PRO  32 -11.560  -6.879   3.699
  262    H    GLU  33           H        GLU  33  -9.528  -3.651   2.117
  263    HA   GLU  33           HA       GLU  33  -9.189  -2.032  -0.214
  264    HB2  GLU  33           2HB      GLU  33  -7.969  -1.698   2.557
  265    HB3  GLU  33           3HB      GLU  33  -8.054  -0.452   1.310
  266    HG2  GLU  33           2HG      GLU  33 -10.548  -0.550   1.439
  267    HG3  GLU  33           3HG      GLU  33 -10.403  -1.714   2.759
  268    H    ARG  34           H        ARG  34  -7.030  -4.057   1.696
  269    HA   ARG  34           HA       ARG  34  -4.555  -3.198   0.576
  270    HB2  ARG  34           2HB      ARG  34  -4.865  -4.282   2.827
  271    HB3  ARG  34           3HB      ARG  34  -5.206  -5.805   2.019
  272    HG2  ARG  34           2HG      ARG  34  -2.917  -5.811   1.079
  273    HG3  ARG  34           3HG      ARG  34  -2.586  -4.272   1.880
  274    HD2  ARG  34           2HD      ARG  34  -1.649  -6.163   3.155
  275    HD3  ARG  34           3HD      ARG  34  -2.906  -5.334   4.082
  276    HE   ARG  34           HE       ARG  34  -3.922  -7.547   2.573
  277   HH11  ARG  34          1HH1      ARG  34  -2.407  -6.776   5.593
  278   HH12  ARG  34          2HH1      ARG  34  -2.967  -8.226   6.344
  279   HH21  ARG  34          1HH2      ARG  34  -4.594  -9.376   3.557
  280   HH22  ARG  34          2HH2      ARG  34  -4.178  -9.678   5.208
  281    H    ALA  35           H        ALA  35  -6.749  -5.918  -0.095
  282    HA   ALA  35           HA       ALA  35  -5.300  -7.134  -2.213
  283    HB1  ALA  35           3HB      ALA  35  -7.408  -8.306  -2.712
  284    HB2  ALA  35           1HB      ALA  35  -8.287  -7.197  -1.652
  285    HB3  ALA  35           2HB      ALA  35  -7.084  -8.297  -0.979
  286    H    HIS  36           H        HIS  36  -7.902  -4.686  -2.201
  287    HA   HIS  36           HA       HIS  36  -8.258  -4.329  -4.965
  288    HB2  HIS  36           2HB      HIS  36  -9.815  -3.424  -3.303
  289    HB3  HIS  36           3HB      HIS  36  -8.575  -2.354  -2.663
  290    HD1  HIS  36           HD1      HIS  36 -10.857  -2.768  -5.654
  291    HD2  HIS  36           HD2      HIS  36  -8.309   0.082  -4.016
  292    HE1  HIS  36           HE1      HIS  36 -11.356  -0.634  -6.870
  293    HE2  HIS  36           HE2      HIS  36  -9.931   1.099  -5.747
  294    H    LEU  37           H        LEU  37  -6.068  -2.628  -2.721
  295    HA   LEU  37           HA       LEU  37  -4.923  -0.828  -4.616
  296    HB2  LEU  37           2HB      LEU  37  -4.973  -0.463  -2.152
  297    HB3  LEU  37           3HB      LEU  37  -3.863  -1.804  -1.936
  298    HG   LEU  37           HG       LEU  37  -2.126  -0.494  -3.234
  299   HD11  LEU  37          1HD1      LEU  37  -4.088   1.808  -3.004
  300   HD12  LEU  37          2HD1      LEU  37  -3.594   1.001  -4.494
  301   HD13  LEU  37          3HD1      LEU  37  -2.413   1.914  -3.562
  302   HD21  LEU  37          3HD2      LEU  37  -2.094  -0.561  -0.790
  303   HD22  LEU  37          1HD2      LEU  37  -3.167   0.840  -0.717
  304   HD23  LEU  37          2HD2      LEU  37  -1.540   1.000  -1.385
  305    H    ALA  38           H        ALA  38  -3.946  -4.002  -3.345
  306    HA   ALA  38           HA       ALA  38  -1.400  -4.233  -4.519
  307    HB1  ALA  38           3HB      ALA  38  -3.330  -6.465  -3.797
  308    HB2  ALA  38           1HB      ALA  38  -2.183  -5.693  -2.701
  309    HB3  ALA  38           2HB      ALA  38  -1.594  -6.642  -4.067
  310    H    LYS  39           H        LYS  39  -4.560  -5.472  -5.735
  311    HA   LYS  39           HA       LYS  39  -3.524  -6.711  -8.053
  312    HB2  LYS  39           2HB      LYS  39  -5.835  -6.967  -8.787
  313    HB3  LYS  39           3HB      LYS  39  -5.703  -7.311  -7.072
  314    HG2  LYS  39           2HG      LYS  39  -6.632  -5.070  -6.563
  315    HG3  LYS  39           3HG      LYS  39  -6.802  -4.762  -8.289
  316    HD2  LYS  39           2HD      LYS  39  -8.215  -6.987  -6.766
  317    HD3  LYS  39           3HD      LYS  39  -8.935  -5.438  -7.190
  318    HE2  LYS  39           2HE      LYS  39  -9.747  -6.903  -8.843
  319    HE3  LYS  39           3HE      LYS  39  -8.413  -6.082  -9.648
  320    HZ1  LYS  39           3HZ      LYS  39  -7.026  -8.005  -9.294
  321    HZ2  LYS  39           1HZ      LYS  39  -8.461  -8.491 -10.044
  322    HZ3  LYS  39           2HZ      LYS  39  -8.234  -8.772  -8.392
  323    H    ASN  40           H        ASN  40  -4.851  -3.448  -7.565
  324    HA   ASN  40           HA       ASN  40  -4.816  -2.526 -10.227
  325    HB2  ASN  40           2HB      ASN  40  -4.493  -0.998  -7.609
  326    HB3  ASN  40           3HB      ASN  40  -4.637  -0.201  -9.174
  327   HD21  ASN  40          1HD2      ASN  40  -6.420  -0.059  -6.856
  328   HD22  ASN  40          2HD2      ASN  40  -7.969  -0.566  -7.421
  329    H    LEU  41           H        LEU  41  -2.240  -2.730  -7.830
  330    HA   LEU  41           HA       LEU  41  -0.275  -1.465  -9.653
  331    HB2  LEU  41           2HB      LEU  41  -0.148  -2.051  -6.674
  332    HB3  LEU  41           3HB      LEU  41   1.129  -1.273  -7.597
  333    HG   LEU  41           HG       LEU  41  -1.663  -0.132  -7.174
  334   HD11  LEU  41          1HD1      LEU  41   0.961   0.734  -5.927
  335   HD12  LEU  41          2HD1      LEU  41  -0.363  -0.095  -5.102
  336   HD13  LEU  41          3HD1      LEU  41  -0.604   1.532  -5.732
  337   HD21  LEU  41          3HD2      LEU  41   0.747   1.108  -8.549
  338   HD22  LEU  41          1HD2      LEU  41  -0.785   1.920  -8.212
  339   HD23  LEU  41          2HD2      LEU  41  -0.740   0.565  -9.334
  340    H    LYS  42           H        LYS  42  -1.337  -4.488  -9.293
  341    HA   LYS  42           HA       LYS  42  -0.611  -6.591  -9.594
  342    HB2  LYS  42           2HB      LYS  42   1.650  -5.127 -10.995
  343    HB3  LYS  42           3HB      LYS  42   1.485  -6.878 -11.039
  344    HG2  LYS  42           2HG      LYS  42   0.560  -6.031 -13.074
  345    HG3  LYS  42           3HG      LYS  42  -0.785  -6.584 -12.088
  346    HD2  LYS  42           2HD      LYS  42  -1.292  -4.254 -11.460
  347    HD3  LYS  42           3HD      LYS  42   0.094  -3.688 -12.391
  348    HE2  LYS  42           2HE      LYS  42  -0.968  -4.455 -14.468
  349    HE3  LYS  42           3HE      LYS  42  -2.333  -5.095 -13.549
  350    HZ1  LYS  42           3HZ      LYS  42  -2.872  -2.864 -12.830
  351    HZ2  LYS  42           1HZ      LYS  42  -2.809  -2.922 -14.518
  352    HZ3  LYS  42           2HZ      LYS  42  -1.533  -2.235 -13.648
  353    H    LEU  43           H        LEU  43   0.322  -5.137  -7.141
  354    HA   LEU  43           HA       LEU  43   2.630  -6.685  -6.223
  355    HB2  LEU  43           2HB      LEU  43   0.758  -4.782  -4.750
  356    HB3  LEU  43           3HB      LEU  43   2.199  -5.501  -4.047
  357    HG   LEU  43           HG       LEU  43   2.213  -3.578  -6.407
  358   HD11  LEU  43          1HD1      LEU  43   2.839  -2.989  -3.501
  359   HD12  LEU  43          2HD1      LEU  43   1.437  -2.416  -4.407
  360   HD13  LEU  43          3HD1      LEU  43   3.052  -1.875  -4.857
  361   HD21  LEU  43          3HD2      LEU  43   4.634  -3.426  -6.012
  362   HD22  LEU  43          1HD2      LEU  43   4.152  -5.074  -6.409
  363   HD23  LEU  43          2HD2      LEU  43   4.516  -4.642  -4.736
  364    H    THR  44           H        THR  44   2.273  -7.748  -3.949
  365    HA   THR  44           HA       THR  44  -0.303  -9.233  -3.815
  366    HB   THR  44           HB       THR  44   0.820 -10.868  -2.377
  367    HG1  THR  44           HG1      THR  44   3.296 -10.449  -2.281
  368   HG21  THR  44          3HG2      THR  44   1.112 -11.232  -4.808
  369   HG22  THR  44          1HG2      THR  44   2.523 -11.793  -3.907
  370   HG23  THR  44          2HG2      THR  44   2.588 -10.262  -4.780
  371    H    GLU  45           H        GLU  45  -1.280  -9.438  -1.659
  372    HA   GLU  45           HA       GLU  45  -1.423  -7.106  -0.087
  373    HB2  GLU  45           2HB      GLU  45  -2.214  -9.972   0.562
  374    HB3  GLU  45           3HB      GLU  45  -2.533  -8.628   1.656
  375    HG2  GLU  45           2HG      GLU  45  -3.856  -7.534  -0.176
  376    HG3  GLU  45           3HG      GLU  45  -3.641  -8.997  -1.138
  377    H    THR  46           H        THR  46   0.800  -9.777   0.065
  378    HA   THR  46           HA       THR  46   2.004  -9.309   2.574
  379    HB   THR  46           HB       THR  46   3.325 -10.358   0.021
  380    HG1  THR  46           HG1      THR  46   2.814 -12.441   1.075
  381   HG21  THR  46          3HG2      THR  46   4.898 -11.504   1.543
  382   HG22  THR  46          1HG2      THR  46   4.101 -10.773   2.938
  383   HG23  THR  46          2HG2      THR  46   4.969  -9.758   1.783
  384    H    GLN  47           H        GLN  47   3.041  -8.237  -0.704
  385    HA   GLN  47           HA       GLN  47   5.265  -6.688   0.105
  386    HB2  GLN  47           2HB      GLN  47   3.614  -6.400  -2.440
  387    HB3  GLN  47           3HB      GLN  47   5.258  -5.810  -2.202
  388    HG2  GLN  47           2HG      GLN  47   6.113  -8.067  -2.065
  389    HG3  GLN  47           3HG      GLN  47   4.485  -8.738  -2.087
  390   HE21  GLN  47          1HE2      GLN  47   5.705  -6.122  -4.146
  391   HE22  GLN  47          2HE2      GLN  47   5.578  -7.001  -5.617
  392    H    VAL  48           H        VAL  48   1.917  -5.738  -0.633
  393    HA   VAL  48           HA       VAL  48   2.157  -2.951  -0.274
  394    HB   VAL  48           HB       VAL  48  -0.280  -4.757   0.115
  395   HG11  VAL  48          1HG1      VAL  48  -0.210  -1.722  -0.114
  396   HG12  VAL  48          2HG1      VAL  48  -0.661  -2.652   1.317
  397   HG13  VAL  48          3HG1      VAL  48  -1.671  -2.717  -0.126
  398   HG21  VAL  48          3HG2      VAL  48   0.551  -3.040  -2.257
  399   HG22  VAL  48          1HG2      VAL  48  -0.930  -3.997  -2.145
  400   HG23  VAL  48          2HG2      VAL  48   0.640  -4.800  -2.169
  401    H    LYS  49           H        LYS  49   1.237  -5.527   2.092
  402    HA   LYS  49           HA       LYS  49   0.871  -3.773   4.297
  403    HB2  LYS  49           2HB      LYS  49  -0.019  -6.111   4.224
  404    HB3  LYS  49           3HB      LYS  49   1.617  -6.725   4.411
  405    HG2  LYS  49           2HG      LYS  49   1.788  -5.703   6.636
  406    HG3  LYS  49           3HG      LYS  49   0.203  -4.960   6.443
  407    HD2  LYS  49           2HD      LYS  49   0.003  -6.888   7.903
  408    HD3  LYS  49           3HD      LYS  49  -0.832  -7.230   6.390
  409    HE2  LYS  49           2HE      LYS  49   1.993  -8.180   6.936
  410    HE3  LYS  49           3HE      LYS  49   0.586  -9.118   7.394
  411    HZ1  LYS  49           3HZ      LYS  49  -0.084  -9.007   4.996
  412    HZ2  LYS  49           1HZ      LYS  49   1.295  -9.929   5.336
  413    HZ3  LYS  49           2HZ      LYS  49   1.457  -8.389   4.669
  414    H    ILE  50           H        ILE  50   3.758  -5.450   3.087
  415    HA   ILE  50           HA       ILE  50   5.566  -4.850   5.190
  416    HB   ILE  50           HB       ILE  50   6.112  -5.277   2.202
  417   HG12  ILE  50          2HG1      ILE  50   6.533  -7.214   4.524
  418   HG13  ILE  50          3HG1      ILE  50   5.118  -7.221   3.483
  419   HG21  ILE  50          1HG2      ILE  50   8.142  -5.205   4.474
  420   HG22  ILE  50          2HG2      ILE  50   7.995  -4.028   3.169
  421   HG23  ILE  50          3HG2      ILE  50   8.493  -5.679   2.810
  422   HD11  ILE  50          3HD1      ILE  50   6.520  -7.759   1.568
  423   HD12  ILE  50          1HD1      ILE  50   6.674  -8.945   2.861
  424   HD13  ILE  50          2HD1      ILE  50   7.949  -7.751   2.608
  425    H    TRP  51           H        TRP  51   4.896  -3.202   2.101
  426    HA   TRP  51           HA       TRP  51   6.649  -1.048   2.299
  427    HB2  TRP  51           2HB      TRP  51   5.365  -1.779   0.242
  428    HB3  TRP  51           3HB      TRP  51   3.918  -1.054   0.928
  429    HD1  TRP  51           HD1      TRP  51   7.090  -0.157  -0.959
  430    HE1  TRP  51           HE1      TRP  51   7.038   2.325  -1.592
  431    HE3  TRP  51           HE3      TRP  51   3.081   1.284   1.818
  432    HZ2  TRP  51           HZ2      TRP  51   5.499   4.609  -0.974
  433    HZ3  TRP  51           HZ3      TRP  51   2.378   3.629   1.768
  434    HH2  TRP  51           HH2      TRP  51   3.564   5.259   0.403
  435    H    PHE  52           H        PHE  52   3.159  -1.101   3.129
  436    HA   PHE  52           HA       PHE  52   2.947   1.408   4.341
  437    HB2  PHE  52           2HB      PHE  52   1.324  -1.131   4.504
  438    HB3  PHE  52           3HB      PHE  52   0.947   0.173   5.625
  439    HD1  PHE  52           HD1      PHE  52   1.572  -0.288   1.927
  440    HD2  PHE  52           HD2      PHE  52  -0.702   1.707   4.950
  441    HE1  PHE  52           HE1      PHE  52   0.260   0.853   0.195
  442    HE2  PHE  52           HE2      PHE  52  -2.013   2.837   3.204
  443    HZ   PHE  52           HZ       PHE  52  -1.529   2.420   0.827
  444    H    GLN  53           H        GLN  53   3.896  -1.693   5.819
  445    HA   GLN  53           HA       GLN  53   3.758  -0.923   8.541
  446    HB2  GLN  53           2HB      GLN  53   3.843  -3.277   7.785
  447    HB3  GLN  53           3HB      GLN  53   5.483  -3.052   7.203
  448    HG2  GLN  53           2HG      GLN  53   5.394  -4.307   9.328
  449    HG3  GLN  53           3HG      GLN  53   6.312  -2.812   9.478
  450   HE21  GLN  53          1HE2      GLN  53   3.252  -4.368  10.243
  451   HE22  GLN  53          2HE2      GLN  53   2.837  -3.331  11.557
  452    H    ASN  54           H        ASN  54   6.523  -0.968   6.282
  453    HA   ASN  54           HA       ASN  54   8.345   0.223   8.188
  454    HB2  ASN  54           2HB      ASN  54   8.681  -0.379   5.232
  455    HB3  ASN  54           3HB      ASN  54   9.961   0.258   6.264
  456   HD21  ASN  54          1HD2      ASN  54   8.006  -2.499   5.558
  457   HD22  ASN  54          2HD2      ASN  54   8.842  -3.618   6.548
  458    H    ARG  55           H        ARG  55   6.265   1.474   5.662
  459    HA   ARG  55           HA       ARG  55   7.273   4.124   5.730
  460    HB2  ARG  55           2HB      ARG  55   4.947   2.769   4.547
  461    HB3  ARG  55           3HB      ARG  55   4.515   4.350   5.157
  462    HG2  ARG  55           2HG      ARG  55   5.082   4.717   2.911
  463    HG3  ARG  55           3HG      ARG  55   6.477   5.279   3.824
  464    HD2  ARG  55           2HD      ARG  55   6.250   2.609   2.393
  465    HD3  ARG  55           3HD      ARG  55   7.111   4.024   1.794
  466    HE   ARG  55           HE       ARG  55   8.426   3.652   4.042
  467   HH11  ARG  55          1HH1      ARG  55   7.330   1.219   1.843
  468   HH12  ARG  55          2HH1      ARG  55   8.661   0.171   2.168
  469   HH21  ARG  55          1HH2      ARG  55  10.137   2.281   4.429
  470   HH22  ARG  55          2HH2      ARG  55  10.222   0.770   3.600
  471    H    ARG  56           H        ARG  56   4.952   2.412   7.831
  472    HA   ARG  56           HA       ARG  56   4.283   4.629   9.514
  473    HB2  ARG  56           2HB      ARG  56   4.353   1.636  10.095
  474    HB3  ARG  56           3HB      ARG  56   3.695   2.836  11.204
  475    HG2  ARG  56           2HG      ARG  56   1.934   3.407   9.602
  476    HG3  ARG  56           3HG      ARG  56   2.623   2.300   8.412
  477    HD2  ARG  56           2HD      ARG  56   0.669   1.310   9.558
  478    HD3  ARG  56           3HD      ARG  56   2.140   0.382   9.867
  479    HE   ARG  56           HE       ARG  56   0.860   2.240  11.790
  480   HH11  ARG  56          1HH1      ARG  56   2.875  -0.534  11.235
  481   HH12  ARG  56          2HH1      ARG  56   2.960  -0.928  12.913
  482   HH21  ARG  56          1HH2      ARG  56   1.008   1.711  13.925
  483   HH22  ARG  56          2HH2      ARG  56   1.920   0.326  14.415
  484    H    TYR  57           H        TYR  57   6.788   2.124   9.643
  485    HA   TYR  57           HA       TYR  57   8.288   3.115  11.839
  486    HB2  TYR  57           2HB      TYR  57   8.862   0.908  11.421
  487    HB3  TYR  57           3HB      TYR  57   8.638   1.065   9.696
  488    HD1  TYR  57           HD1      TYR  57  11.081   1.505  12.454
  489    HD2  TYR  57           HD2      TYR  57  10.534   1.551   8.220
  490    HE1  TYR  57           HE1      TYR  57  13.513   1.533  12.138
  491    HE2  TYR  57           HE2      TYR  57  12.967   1.574   7.909
  492    HH   TYR  57           HH       TYR  57  14.986   2.253   9.193
  493    H    LYS  58           H        LYS  58   8.047   4.257   8.581
  494    HA   LYS  58           HA       LYS  58  10.505   5.821   8.776
  495    HB2  LYS  58           2HB      LYS  58   9.538   4.646   6.641
  496    HB3  LYS  58           3HB      LYS  58   8.549   6.097   6.497
  497    HG2  LYS  58           2HG      LYS  58  10.604   7.473   6.499
  498    HG3  LYS  58           3HG      LYS  58  11.569   5.999   6.626
  499    HD2  LYS  58           2HD      LYS  58  10.799   5.253   4.428
  500    HD3  LYS  58           3HD      LYS  58   9.705   6.636   4.308
  501    HE2  LYS  58           2HE      LYS  58  12.739   6.751   4.386
  502    HE3  LYS  58           3HE      LYS  58  11.719   7.027   2.973
  503    HZ1  LYS  58           3HZ      LYS  58  11.803   8.703   5.429
  504    HZ2  LYS  58           1HZ      LYS  58  10.752   8.950   4.130
  505    HZ3  LYS  58           2HZ      LYS  58  12.416   9.117   3.911
  506    H    THR  59           H        THR  59   7.060   6.443   9.282
  507    HA   THR  59           HA       THR  59   6.991   9.192   8.538
  508    HB   THR  59           HB       THR  59   4.828   9.272   9.986
  509    HG1  THR  59           HG1      THR  59   5.661   7.237  11.148
  510   HG21  THR  59          3HG2      THR  59   4.775   8.954   7.555
  511   HG22  THR  59          1HG2      THR  59   3.531   7.990   8.355
  512   HG23  THR  59          2HG2      THR  59   5.004   7.218   7.768
  513    H    LYS  60           H        LYS  60   6.907  11.103   9.701
  514    HA   LYS  60           HA       LYS  60   8.496  11.465  12.010
  515    HB2  LYS  60           2HB      LYS  60   6.394  13.347  10.853
  516    HB3  LYS  60           3HB      LYS  60   7.661  13.801  11.990
  517    HG2  LYS  60           2HG      LYS  60   9.368  13.187  10.258
  518    HG3  LYS  60           3HG      LYS  60   8.053  12.872   9.126
  519    HD2  LYS  60           2HD      LYS  60   8.730  15.547  10.415
  520    HD3  LYS  60           3HD      LYS  60   8.997  15.099   8.730
  521    HE2  LYS  60           2HE      LYS  60   6.283  15.377  10.080
  522    HE3  LYS  60           3HE      LYS  60   7.014  16.541   8.979
  523    HZ1  LYS  60           3HZ      LYS  60   6.380  13.747   8.213
  524    HZ2  LYS  60           1HZ      LYS  60   6.848  15.010   7.194
  525    HZ3  LYS  60           2HZ      LYS  60   5.340  15.052   7.956
  526    H    ARG  61           H        ARG  61   4.919  11.435  11.631
  527    HA   ARG  61           HA       ARG  61   4.397  11.504  14.466
  528    HB2  ARG  61           2HB      ARG  61   2.699  12.241  12.783
  529    HB3  ARG  61           3HB      ARG  61   2.567  10.582  12.207
  530    HG2  ARG  61           2HG      ARG  61   1.761   9.892  14.473
  531    HG3  ARG  61           3HG      ARG  61   1.824  11.580  14.982
  532    HD2  ARG  61           2HD      ARG  61   0.069  10.436  12.785
  533    HD3  ARG  61           3HD      ARG  61  -0.469  10.921  14.394
  534    HE   ARG  61           HE       ARG  61   0.289  12.671  12.177
  535   HH11  ARG  61          1HH1      ARG  61  -0.776  12.475  15.475
  536   HH12  ARG  61          2HH1      ARG  61  -1.262  14.129  15.517
  537   HH21  ARG  61          1HH2      ARG  61  -0.358  14.774  12.261
  538   HH22  ARG  61          2HH2      ARG  61  -1.034  15.408  13.718
  539    H    LYS  62           H        LYS  62   4.945   9.833  15.794
  540    HA   LYS  62           HA       LYS  62   4.393   7.069  15.282
  541    HB2  LYS  62           2HB      LYS  62   6.327   7.536  13.706
  542    HB3  LYS  62           3HB      LYS  62   7.317   7.908  15.111
  543    HG2  LYS  62           2HG      LYS  62   6.748   5.499  15.900
  544    HG3  LYS  62           3HG      LYS  62   6.198   5.239  14.243
  545    HD2  LYS  62           2HD      LYS  62   8.987   5.989  15.169
  546    HD3  LYS  62           3HD      LYS  62   8.486   4.488  14.388
  547    HE2  LYS  62           2HE      LYS  62   8.162   5.596  12.280
  548    HE3  LYS  62           3HE      LYS  62   8.296   7.191  13.015
  549    HZ1  LYS  62           3HZ      LYS  62  10.306   6.551  11.825
  550    HZ2  LYS  62           1HZ      LYS  62  10.507   5.220  12.847
  551    HZ3  LYS  62           2HZ      LYS  62  10.607   6.788  13.467
  552    H    GLN  63           H        GLN  63   4.384   5.991  17.184
  553    HA   GLN  63           HA       GLN  63   4.359   5.599  19.395
  554    HB2  GLN  63           2HB      GLN  63   6.664   5.033  20.298
  555    HB3  GLN  63           3HB      GLN  63   6.201   4.275  18.786
  556    HG2  GLN  63           2HG      GLN  63   7.608   5.899  17.551
  557    HG3  GLN  63           3HG      GLN  63   8.102   6.623  19.077
  558   HE21  GLN  63          1HE2      GLN  63   9.752   5.342  17.009
  559   HE22  GLN  63          2HE2      GLN  63  10.592   4.064  17.805
  560    H    LEU  64           H        LEU  64   7.101   7.894  19.548
  561    HA   LEU  64           HA       LEU  64   5.742   9.828  21.149
  562    HB2  LEU  64           2HB      LEU  64   6.202   8.081  22.876
  563    HB3  LEU  64           3HB      LEU  64   7.905   8.125  22.466
  564    HG   LEU  64           HG       LEU  64   8.030  10.486  23.296
  565   HD11  LEU  64          1HD1      LEU  64   6.188  11.437  24.630
  566   HD12  LEU  64          2HD1      LEU  64   5.155  10.078  24.178
  567   HD13  LEU  64          3HD1      LEU  64   5.726  11.203  22.944
  568   HD21  LEU  64          3HD2      LEU  64   6.972   8.509  25.343
  569   HD22  LEU  64          1HD2      LEU  64   7.925   9.957  25.688
  570   HD23  LEU  64          2HD2      LEU  64   8.641   8.630  24.778
  571    H    SER  65           H        SER  65   8.865   8.452  20.152
  572    HA   SER  65           HA       SER  65   9.535  10.797  18.593
  573    HB2  SER  65           2HB      SER  65  11.725  11.258  19.668
  574    HB3  SER  65           3HB      SER  65  10.409  11.511  20.814
  575    HG   SER  65           HG       SER  65  12.247   9.363  20.680
  576    H    SER  66           H        SER  66  11.264  10.416  17.103
  577    HA   SER  66           HA       SER  66  13.080   8.271  17.128
  578    HB2  SER  66           2HB      SER  66  12.240   6.872  15.236
  579    HB3  SER  66           3HB      SER  66  11.158   6.800  16.627
  580    HG   SER  66           HG       SER  66   9.760   8.180  15.597
  581    H    GLU  67           H        GLU  67  11.102  10.042  14.729
  582    HA   GLU  67           HA       GLU  67  13.391  10.593  13.018
  583    HB2  GLU  67           2HB      GLU  67  10.526  11.599  12.752
  584    HB3  GLU  67           3HB      GLU  67  11.759  11.586  11.496
  585    HG2  GLU  67           2HG      GLU  67  10.418   9.165  12.743
  586    HG3  GLU  67           3HG      GLU  67  10.147   9.800  11.121
  587    H    LEU  68           H        LEU  68  14.775  12.081  13.844
  588    HA   LEU  68           HA       LEU  68  13.986  14.249  15.568
  589    HB2  LEU  68           2HB      LEU  68  16.133  12.965  15.780
  590    HB3  LEU  68           3HB      LEU  68  16.682  13.682  14.276
  591    HG   LEU  68           HG       LEU  68  16.569  15.956  15.381
  592   HD11  LEU  68          1HD1      LEU  68  14.944  15.496  17.140
  593   HD12  LEU  68          2HD1      LEU  68  16.444  16.100  17.835
  594   HD13  LEU  68          3HD1      LEU  68  16.065  14.378  17.925
  595   HD21  LEU  68          3HD2      LEU  68  18.711  14.793  15.183
  596   HD22  LEU  68          1HD2      LEU  68  18.417  13.934  16.698
  597   HD23  LEU  68          2HD2      LEU  68  18.640  15.686  16.700
  598    H    GLY  69           H        GLY  69  13.203  16.170  14.883
  599    HA2  GLY  69           2HA      GLY  69  13.343  17.088  12.142
  600    HA3  GLY  69           3HA      GLY  69  12.605  17.927  13.497
  Start of MODEL    3
    1    H1   MET   1           1H       MET   1  27.405  -8.810  13.213
    2    H2   MET   1           2H       MET   1  28.320  -9.402  14.507
    3    H3   MET   1           3H       MET   1  27.794 -10.453  13.292
    4    HA   MET   1           HA       MET   1  29.698  -8.220  12.934
    5    HB2  MET   1           2HB      MET   1  30.603 -10.129  14.269
    6    HB3  MET   1           3HB      MET   1  30.204 -11.233  12.959
    7    HG2  MET   1           2HG      MET   1  32.590 -10.697  12.964
    8    HG3  MET   1           3HG      MET   1  31.827 -10.075  11.497
    9    HE1  MET   1           3HE      MET   1  34.071  -8.580  11.164
   10    HE2  MET   1           1HE      MET   1  34.743  -9.121  12.704
   11    HE3  MET   1           2HE      MET   1  34.623  -7.398  12.351
   12    H    GLY   2           H        GLY   2  29.402  -7.422  10.920
   13    HA2  GLY   2           2HA      GLY   2  29.617  -7.457   8.594
   14    HA3  GLY   2           3HA      GLY   2  29.378  -9.194   8.589
   15    H    HIS   3           H        HIS   3  28.058  -6.462   7.477
   16    HA   HIS   3           HA       HIS   3  25.258  -6.760   8.004
   17    HB2  HIS   3           2HB      HIS   3  26.766  -5.271   5.807
   18    HB3  HIS   3           3HB      HIS   3  25.015  -5.218   5.983
   19    HD1  HIS   3           HD1      HIS   3  24.075  -3.598   7.660
   20    HD2  HIS   3           HD2      HIS   3  28.194  -3.953   7.986
   21    HE1  HIS   3           HE1      HIS   3  24.776  -1.809   9.259
   22    HE2  HIS   3           HE2      HIS   3  27.276  -1.947   9.319
   23    H    HIS   4           H        HIS   4  24.642  -8.912   7.581
   24    HA   HIS   4           HA       HIS   4  24.926 -10.052   4.901
   25    HB2  HIS   4           2HB      HIS   4  23.386 -11.066   7.331
   26    HB3  HIS   4           3HB      HIS   4  23.636 -11.965   5.834
   27    HD1  HIS   4           HD1      HIS   4  25.148 -11.371   9.103
   28    HD2  HIS   4           HD2      HIS   4  26.506 -12.563   5.364
   29    HE1  HIS   4           HE1      HIS   4  27.405 -12.375   9.495
   30    HE2  HIS   4           HE2      HIS   4  28.127 -13.245   7.252
   31    H    HIS   5           H        HIS   5  23.583  -9.505   3.297
   32    HA   HIS   5           HA       HIS   5  21.270  -7.817   3.822
   33    HB2  HIS   5           2HB      HIS   5  22.708  -8.548   1.249
   34    HB3  HIS   5           3HB      HIS   5  21.326  -7.460   1.322
   35    HD1  HIS   5           HD1      HIS   5  24.859  -7.702   2.731
   36    HD2  HIS   5           HD2      HIS   5  22.011  -4.845   1.751
   37    HE1  HIS   5           HE1      HIS   5  25.991  -5.493   3.027
   38    HE2  HIS   5           HE2      HIS   5  24.328  -3.808   2.213
   39    H    HIS   6           H        HIS   6  19.385  -8.048   2.250
   40    HA   HIS   6           HA       HIS   6  18.464 -10.809   1.807
   41    HB2  HIS   6           2HB      HIS   6  17.687 -10.350   4.069
   42    HB3  HIS   6           3HB      HIS   6  17.113  -8.754   3.623
   43    HD1  HIS   6           HD1      HIS   6  16.130 -12.370   3.547
   44    HD2  HIS   6           HD2      HIS   6  14.561  -8.701   2.396
   45    HE1  HIS   6           HE1      HIS   6  13.702 -12.782   3.109
   46    HE2  HIS   6           HE2      HIS   6  12.810 -10.581   2.297
   47    H    HIS   7           H        HIS   7  18.166 -10.640  -0.394
   48    HA   HIS   7           HA       HIS   7  17.693  -8.258  -1.781
   49    HB2  HIS   7           2HB      HIS   7  17.253  -9.661  -3.781
   50    HB3  HIS   7           3HB      HIS   7  18.706 -10.139  -2.923
   51    HD1  HIS   7           HD1      HIS   7  15.272 -11.334  -3.814
   52    HD2  HIS   7           HD2      HIS   7  18.645 -12.733  -1.831
   53    HE1  HIS   7           HE1      HIS   7  14.900 -13.791  -3.507
   54    HE2  HIS   7           HE2      HIS   7  17.015 -14.633  -2.442
   55    H    HIS   8           H        HIS   8  15.974  -7.051  -2.056
   56    HA   HIS   8           HA       HIS   8  13.219  -8.058  -1.972
   57    HB2  HIS   8           2HB      HIS   8  13.844  -7.561   0.405
   58    HB3  HIS   8           3HB      HIS   8  14.265  -5.917  -0.048
   59    HD1  HIS   8           HD1      HIS   8  11.408  -8.072   0.879
   60    HD2  HIS   8           HD2      HIS   8  11.985  -4.255  -0.636
   61    HE1  HIS   8           HE1      HIS   8   9.229  -6.888   1.192
   62    HE2  HIS   8           HE2      HIS   8   9.579  -4.611   0.202
   63    H    SER   9           H        SER   9  12.579  -7.301  -3.954
   64    HA   SER   9           HA       SER   9  13.711  -4.979  -5.198
   65    HB2  SER   9           2HB      SER   9  12.187  -5.450  -7.071
   66    HB3  SER   9           3HB      SER   9  12.945  -6.944  -6.522
   67    HG   SER   9           HG       SER   9  10.310  -6.247  -6.572
   68    H    HIS  10           H        HIS  10  13.090  -2.911  -5.021
   69    HA   HIS  10           HA       HIS  10  10.786  -2.113  -3.468
   70    HB2  HIS  10           2HB      HIS  10  11.565   0.186  -3.811
   71    HB3  HIS  10           3HB      HIS  10  12.916  -0.836  -3.351
   72    HD1  HIS  10           HD1      HIS  10  11.465   0.866  -6.409
   73    HD2  HIS  10           HD2      HIS  10  15.051  -0.763  -5.115
   74    HE1  HIS  10           HE1      HIS  10  13.135   1.461  -8.165
   75    HE2  HIS  10           HE2      HIS  10  15.246   0.314  -7.446
   76    H    MET  11           H        MET  11   8.953  -0.971  -4.200
   77    HA   MET  11           HA       MET  11   7.866  -1.620  -6.713
   78    HB2  MET  11           2HB      MET  11   7.028   0.580  -4.786
   79    HB3  MET  11           3HB      MET  11   6.072   0.032  -6.158
   80    HG2  MET  11           2HG      MET  11   5.173  -0.994  -4.213
   81    HG3  MET  11           3HG      MET  11   6.022  -2.252  -5.112
   82    HE1  MET  11           3HE      MET  11   5.090  -2.357  -1.959
   83    HE2  MET  11           1HE      MET  11   6.482  -3.202  -1.287
   84    HE3  MET  11           2HE      MET  11   5.798  -3.719  -2.830
   85    H    SER  12           H        SER  12   7.040  -0.013  -8.315
   86    HA   SER  12           HA       SER  12   9.224   1.405  -9.540
   87    HB2  SER  12           2HB      SER  12   6.305   1.278 -10.418
   88    HB3  SER  12           3HB      SER  12   7.676   1.771 -11.411
   89    HG   SER  12           HG       SER  12   6.777  -0.740 -10.756
   90    H    HIS  13           H        HIS  13   8.789   3.733 -10.432
   91    HA   HIS  13           HA       HIS  13   8.741   5.476  -8.251
   92    HB2  HIS  13           2HB      HIS  13   9.942   5.931 -10.377
   93    HB3  HIS  13           3HB      HIS  13   8.408   6.185 -11.194
   94    HD1  HIS  13           HD1      HIS  13  10.808   7.822  -8.845
   95    HD2  HIS  13           HD2      HIS  13   7.170   8.698 -10.651
   96    HE1  HIS  13           HE1      HIS  13  10.426  10.266  -8.453
   97    HE2  HIS  13           HE2      HIS  13   8.190  10.746  -9.476
   98    H    THR  14           H        THR  14   6.287   5.439 -10.917
   99    HA   THR  14           HA       THR  14   4.381   7.064  -9.571
  100    HB   THR  14           HB       THR  14   3.985   5.159 -11.923
  101    HG1  THR  14           HG1      THR  14   3.919   7.623 -12.747
  102   HG21  THR  14          3HG2      THR  14   1.980   6.536 -12.471
  103   HG22  THR  14          1HG2      THR  14   2.174   7.413 -10.958
  104   HG23  THR  14          2HG2      THR  14   1.784   5.690 -10.934
  105    H    GLN  15           H        GLN  15   4.904   3.591  -9.608
  106    HA   GLN  15           HA       GLN  15   2.481   2.688  -8.482
  107    HB2  GLN  15           2HB      GLN  15   4.209   1.243  -9.559
  108    HB3  GLN  15           3HB      GLN  15   5.277   1.511  -8.187
  109    HG2  GLN  15           2HG      GLN  15   3.726   0.323  -6.711
  110    HG3  GLN  15           3HG      GLN  15   2.578   0.136  -8.040
  111   HE21  GLN  15          1HE2      GLN  15   2.629  -2.103  -7.982
  112   HE22  GLN  15          2HE2      GLN  15   4.000  -3.028  -8.452
  113    H    VAL  16           H        VAL  16   5.537   3.668  -6.896
  114    HA   VAL  16           HA       VAL  16   4.701   3.435  -4.207
  115    HB   VAL  16           HB       VAL  16   6.872   5.205  -5.437
  116   HG11  VAL  16          1HG1      VAL  16   6.207   6.222  -3.297
  117   HG12  VAL  16          2HG1      VAL  16   7.800   5.488  -3.142
  118   HG13  VAL  16          3HG1      VAL  16   6.383   4.673  -2.470
  119   HG21  VAL  16          3HG2      VAL  16   7.267   2.781  -5.654
  120   HG22  VAL  16          1HG2      VAL  16   7.067   2.571  -3.912
  121   HG23  VAL  16          2HG2      VAL  16   8.430   3.502  -4.544
  122    H    ILE  17           H        ILE  17   4.476   6.165  -6.523
  123    HA   ILE  17           HA       ILE  17   3.498   8.168  -4.823
  124    HB   ILE  17           HB       ILE  17   2.790   7.675  -7.756
  125   HG12  ILE  17          2HG1      ILE  17   4.857   9.569  -6.522
  126   HG13  ILE  17          3HG1      ILE  17   5.221   8.049  -7.331
  127   HG21  ILE  17          1HG2      ILE  17   2.077  10.045  -7.874
  128   HG22  ILE  17          2HG2      ILE  17   2.333  10.214  -6.136
  129   HG23  ILE  17          3HG2      ILE  17   1.081   9.129  -6.741
  130   HD11  ILE  17          3HD1      ILE  17   4.348   8.967  -9.436
  131   HD12  ILE  17          1HD1      ILE  17   5.675   9.925  -8.781
  132   HD13  ILE  17          2HD1      ILE  17   4.015  10.499  -8.622
  133    H    GLU  18           H        GLU  18   1.690   5.650  -6.605
  134    HA   GLU  18           HA       GLU  18  -0.924   6.282  -5.751
  135    HB2  GLU  18           2HB      GLU  18   0.265   3.593  -6.553
  136    HB3  GLU  18           3HB      GLU  18  -1.459   3.925  -6.421
  137    HG2  GLU  18           2HG      GLU  18   0.416   5.344  -8.341
  138    HG3  GLU  18           3HG      GLU  18  -0.556   3.937  -8.763
  139    H    LEU  19           H        LEU  19   1.464   3.994  -4.394
  140    HA   LEU  19           HA       LEU  19   0.018   2.998  -2.204
  141    HB2  LEU  19           2HB      LEU  19   2.983   3.457  -2.645
  142    HB3  LEU  19           3HB      LEU  19   2.377   2.678  -1.196
  143    HG   LEU  19           HG       LEU  19   1.809   1.573  -3.963
  144   HD11  LEU  19          1HD1      LEU  19   3.662   0.014  -3.665
  145   HD12  LEU  19          2HD1      LEU  19   4.126   0.821  -2.166
  146   HD13  LEU  19          3HD1      LEU  19   4.235   1.681  -3.703
  147   HD21  LEU  19          3HD2      LEU  19   1.376  -0.521  -2.769
  148   HD22  LEU  19          1HD2      LEU  19   0.337   0.767  -2.164
  149   HD23  LEU  19          2HD2      LEU  19   1.742   0.255  -1.225
  150    H    GLU  20           H        GLU  20   1.989   5.971  -2.486
  151    HA   GLU  20           HA       GLU  20   1.848   6.811   0.227
  152    HB2  GLU  20           2HB      GLU  20   2.444   8.365  -2.321
  153    HB3  GLU  20           3HB      GLU  20   2.574   9.063  -0.707
  154    HG2  GLU  20           2HG      GLU  20   4.329   7.423  -0.139
  155    HG3  GLU  20           3HG      GLU  20   4.200   6.714  -1.747
  156    H    ARG  21           H        ARG  21  -0.146   7.451  -2.627
  157    HA   ARG  21           HA       ARG  21  -1.851   9.427  -1.546
  158    HB2  ARG  21           2HB      ARG  21  -2.363   7.381  -3.739
  159    HB3  ARG  21           3HB      ARG  21  -3.461   8.709  -3.362
  160    HG2  ARG  21           2HG      ARG  21  -1.755  10.351  -3.980
  161    HG3  ARG  21           3HG      ARG  21  -0.577   9.067  -4.254
  162    HD2  ARG  21           2HD      ARG  21  -1.485   9.861  -6.381
  163    HD3  ARG  21           3HD      ARG  21  -1.953   8.181  -6.100
  164    HE   ARG  21           HE       ARG  21  -3.794  10.408  -5.490
  165   HH11  ARG  21          1HH1      ARG  21  -3.199   7.451  -7.217
  166   HH12  ARG  21          2HH1      ARG  21  -4.837   7.336  -7.759
  167   HH21  ARG  21          1HH2      ARG  21  -5.856  10.216  -6.193
  168   HH22  ARG  21          2HH2      ARG  21  -6.322   8.884  -7.194
  169    H    LYS  22           H        LYS  22  -1.920   5.908  -1.340
  170    HA   LYS  22           HA       LYS  22  -4.507   5.794  -0.038
  171    HB2  LYS  22           2HB      LYS  22  -3.520   3.981  -1.542
  172    HB3  LYS  22           3HB      LYS  22  -2.406   3.594  -0.239
  173    HG2  LYS  22           2HG      LYS  22  -4.248   2.023  -0.205
  174    HG3  LYS  22           3HG      LYS  22  -4.345   3.048   1.228
  175    HD2  LYS  22           2HD      LYS  22  -6.125   4.388   0.191
  176    HD3  LYS  22           3HD      LYS  22  -5.972   3.476  -1.313
  177    HE2  LYS  22           2HE      LYS  22  -6.777   1.452  -0.207
  178    HE3  LYS  22           3HE      LYS  22  -6.820   2.285   1.349
  179    HZ1  LYS  22           3HZ      LYS  22  -8.452   3.006  -1.021
  180    HZ2  LYS  22           1HZ      LYS  22  -8.510   3.759   0.488
  181    HZ3  LYS  22           2HZ      LYS  22  -9.010   2.153   0.328
  182    H    PHE  23           H        PHE  23  -1.101   5.532   0.951
  183    HA   PHE  23           HA       PHE  23  -1.455   4.902   3.673
  184    HB2  PHE  23           2HB      PHE  23   0.689   4.572   2.472
  185    HB3  PHE  23           3HB      PHE  23   0.894   6.314   2.340
  186    HD1  PHE  23           HD2      PHE  23   0.606   3.552   4.861
  187    HD2  PHE  23           HD1      PHE  23   2.033   7.507   4.085
  188    HE1  PHE  23           HE2      PHE  23   1.769   3.554   7.021
  189    HE2  PHE  23           HE1      PHE  23   3.191   7.504   6.249
  190    HZ   PHE  23           HZ       PHE  23   3.067   5.532   7.721
  191    H    SER  24           H        SER  24  -1.125   8.039   2.051
  192    HA   SER  24           HA       SER  24  -1.008   9.706   4.317
  193    HB2  SER  24           2HB      SER  24  -1.614  11.534   2.751
  194    HB3  SER  24           3HB      SER  24  -0.378  10.475   2.070
  195    HG   SER  24           HG       SER  24  -1.680  10.119   0.481
  196    H    HIS  25           H        HIS  25  -3.799   8.300   2.616
  197    HA   HIS  25           HA       HIS  25  -5.733   9.821   4.147
  198    HB2  HIS  25           2HB      HIS  25  -5.986   7.558   2.126
  199    HB3  HIS  25           3HB      HIS  25  -7.379   8.246   2.960
  200    HD1  HIS  25           HD1      HIS  25  -8.540   9.565   1.158
  201    HD2  HIS  25           HD2      HIS  25  -4.452  10.262   1.174
  202    HE1  HIS  25           HE1      HIS  25  -8.160  11.383  -0.514
  203    HE2  HIS  25           HE2      HIS  25  -5.715  11.905  -0.348
  204    H    GLN  26           H        GLN  26  -4.340   6.551   4.225
  205    HA   GLN  26           HA       GLN  26  -5.239   6.173   6.976
  206    HB2  GLN  26           2HB      GLN  26  -6.354   4.029   6.579
  207    HB3  GLN  26           3HB      GLN  26  -7.134   5.296   5.636
  208    HG2  GLN  26           2HG      GLN  26  -5.826   4.506   3.631
  209    HG3  GLN  26           3HG      GLN  26  -5.238   3.163   4.616
  210   HE21  GLN  26          1HE2      GLN  26  -6.746   1.554   5.264
  211   HE22  GLN  26          2HE2      GLN  26  -8.242   1.333   4.432
  212    H    LYS  27           H        LYS  27  -3.758   5.091   8.163
  213    HA   LYS  27           HA       LYS  27  -1.230   4.293   6.946
  214    HB2  LYS  27           2HB      LYS  27  -2.027   4.176   9.885
  215    HB3  LYS  27           3HB      LYS  27  -0.388   4.180   9.234
  216    HG2  LYS  27           2HG      LYS  27  -2.373   6.480   9.253
  217    HG3  LYS  27           3HG      LYS  27  -0.864   6.365  10.164
  218    HD2  LYS  27           2HD      LYS  27   0.450   6.557   8.126
  219    HD3  LYS  27           3HD      LYS  27  -0.992   6.417   7.122
  220    HE2  LYS  27           2HE      LYS  27  -1.807   8.578   8.153
  221    HE3  LYS  27           3HE      LYS  27  -0.210   8.740   8.897
  222    HZ1  LYS  27           3HZ      LYS  27   0.785   8.734   6.717
  223    HZ2  LYS  27           1HZ      LYS  27  -0.393   9.946   6.795
  224    HZ3  LYS  27           2HZ      LYS  27  -0.718   8.501   5.980
  225    H    TYR  28           H        TYR  28  -4.059   2.779   8.165
  226    HA   TYR  28           HA       TYR  28  -2.854   0.067   8.160
  227    HB2  TYR  28           2HB      TYR  28  -5.225   1.074   9.812
  228    HB3  TYR  28           3HB      TYR  28  -4.537  -0.548   9.868
  229    HD1  TYR  28           HD2      TYR  28  -2.305  -0.922  10.937
  230    HD2  TYR  28           HD1      TYR  28  -4.133   2.942  10.989
  231    HE1  TYR  28           HE2      TYR  28  -0.748  -0.202  12.685
  232    HE2  TYR  28           HE1      TYR  28  -2.568   3.661  12.739
  233    HH   TYR  28           HH       TYR  28  -1.159   2.570  14.526
  234    H    LEU  29           H        LEU  29  -3.568  -1.131   6.488
  235    HA   LEU  29           HA       LEU  29  -6.171  -0.600   5.204
  236    HB2  LEU  29           2HB      LEU  29  -3.905  -2.468   4.406
  237    HB3  LEU  29           3HB      LEU  29  -5.379  -2.227   3.479
  238    HG   LEU  29           HG       LEU  29  -3.257  -0.111   4.011
  239   HD11  LEU  29          1HD1      LEU  29  -2.499  -1.834   2.453
  240   HD12  LEU  29          2HD1      LEU  29  -2.737  -0.289   1.642
  241   HD13  LEU  29          3HD1      LEU  29  -3.931  -1.576   1.452
  242   HD21  LEU  29          3HD2      LEU  29  -5.781   0.069   2.332
  243   HD22  LEU  29          1HD2      LEU  29  -4.505   1.287   2.415
  244   HD23  LEU  29          2HD2      LEU  29  -5.463   0.923   3.844
  245    H    SER  30           H        SER  30  -7.874  -1.990   5.301
  246    HA   SER  30           HA       SER  30  -7.759  -4.459   6.877
  247    HB2  SER  30           2HB      SER  30 -10.050  -3.105   5.382
  248    HB3  SER  30           3HB      SER  30 -10.219  -4.572   6.350
  249    HG   SER  30           HG       SER  30  -9.918  -1.937   7.154
  250    H    ALA  31           H        ALA  31  -9.021  -6.389   5.765
  251    HA   ALA  31           HA       ALA  31  -7.430  -7.464   3.772
  252    HB1  ALA  31           3HB      ALA  31 -10.261  -8.309   4.456
  253    HB2  ALA  31           1HB      ALA  31  -8.797  -8.808   5.305
  254    HB3  ALA  31           2HB      ALA  31  -9.050  -9.290   3.627
  255    HA   PRO  32           HA       PRO  32 -10.790  -6.331   0.304
  256    HB2  PRO  32           2HB      PRO  32 -12.226  -3.989   0.820
  257    HB3  PRO  32           3HB      PRO  32 -12.855  -5.629   1.087
  258    HG2  PRO  32           2HG      PRO  32 -11.604  -3.744   3.068
  259    HG3  PRO  32           3HG      PRO  32 -13.070  -4.740   3.239
  260    HD2  PRO  32           2HD      PRO  32 -10.758  -5.524   4.334
  261    HD3  PRO  32           3HD      PRO  32 -11.835  -6.719   3.574
  262    H    GLU  33           H        GLU  33  -9.516  -3.552   2.226
  263    HA   GLU  33           HA       GLU  33  -9.014  -1.824   0.023
  264    HB2  GLU  33           2HB      GLU  33  -7.807  -1.777   2.825
  265    HB3  GLU  33           3HB      GLU  33  -7.808  -0.425   1.693
  266    HG2  GLU  33           2HG      GLU  33 -10.276  -1.702   2.923
  267    HG3  GLU  33           3HG      GLU  33  -9.522  -0.205   3.473
  268    H    ARG  34           H        ARG  34  -6.947  -4.040   1.840
  269    HA   ARG  34           HA       ARG  34  -4.441  -3.262   0.743
  270    HB2  ARG  34           2HB      ARG  34  -4.821  -4.446   2.948
  271    HB3  ARG  34           3HB      ARG  34  -5.170  -5.920   2.046
  272    HG2  ARG  34           2HG      ARG  34  -2.874  -5.867   1.108
  273    HG3  ARG  34           3HG      ARG  34  -2.535  -4.405   2.040
  274    HD2  ARG  34           2HD      ARG  34  -1.626  -6.398   3.151
  275    HD3  ARG  34           3HD      ARG  34  -2.891  -5.649   4.135
  276    HE   ARG  34           HE       ARG  34  -4.132  -7.596   2.581
  277   HH11  ARG  34          1HH1      ARG  34  -1.769  -7.569   5.114
  278   HH12  ARG  34          2HH1      ARG  34  -2.167  -9.165   5.637
  279   HH21  ARG  34          1HH2      ARG  34  -4.611  -9.622   3.257
  280   HH22  ARG  34          2HH2      ARG  34  -3.758 -10.316   4.596
  281    H    ALA  35           H        ALA  35  -6.711  -5.904  -0.013
  282    HA   ALA  35           HA       ALA  35  -5.217  -7.063  -2.153
  283    HB1  ALA  35           3HB      ALA  35  -8.192  -7.239  -1.571
  284    HB2  ALA  35           1HB      ALA  35  -6.945  -8.307  -0.923
  285    HB3  ALA  35           2HB      ALA  35  -7.281  -8.296  -2.656
  286    H    HIS  36           H        HIS  36  -7.753  -4.587  -2.013
  287    HA   HIS  36           HA       HIS  36  -8.243  -4.204  -4.752
  288    HB2  HIS  36           2HB      HIS  36  -9.564  -3.249  -2.767
  289    HB3  HIS  36           3HB      HIS  36  -8.320  -2.017  -2.625
  290    HD1  HIS  36           HD1      HIS  36  -7.976  -0.755  -5.220
  291    HD2  HIS  36           HD2      HIS  36 -11.685  -2.286  -4.136
  292    HE1  HIS  36           HE1      HIS  36  -9.642   0.410  -6.681
  293    HE2  HIS  36           HE2      HIS  36 -11.864  -0.566  -6.051
  294    H    LEU  37           H        LEU  37  -5.885  -2.670  -2.563
  295    HA   LEU  37           HA       LEU  37  -4.695  -0.963  -4.528
  296    HB2  LEU  37           2HB      LEU  37  -4.689  -0.549  -2.060
  297    HB3  LEU  37           3HB      LEU  37  -3.577  -1.893  -1.859
  298    HG   LEU  37           HG       LEU  37  -1.838  -0.678  -3.139
  299   HD11  LEU  37          1HD1      LEU  37  -3.831   1.603  -3.336
  300   HD12  LEU  37          2HD1      LEU  37  -3.260   0.597  -4.670
  301   HD13  LEU  37          3HD1      LEU  37  -2.134   1.657  -3.828
  302   HD21  LEU  37          3HD2      LEU  37  -3.012   1.005  -0.909
  303   HD22  LEU  37          1HD2      LEU  37  -1.358   1.095  -1.515
  304   HD23  LEU  37          2HD2      LEU  37  -1.926  -0.364  -0.714
  305    H    ALA  38           H        ALA  38  -3.937  -4.196  -3.284
  306    HA   ALA  38           HA       ALA  38  -1.465  -4.665  -4.509
  307    HB1  ALA  38           3HB      ALA  38  -1.938  -7.055  -4.202
  308    HB2  ALA  38           1HB      ALA  38  -3.648  -6.694  -3.923
  309    HB3  ALA  38           2HB      ALA  38  -2.428  -6.132  -2.781
  310    H    LYS  39           H        LYS  39  -4.745  -5.449  -5.780
  311    HA   LYS  39           HA       LYS  39  -3.818  -6.494  -8.263
  312    HB2  LYS  39           2HB      LYS  39  -6.172  -6.558  -8.934
  313    HB3  LYS  39           3HB      LYS  39  -5.979  -7.152  -7.288
  314    HG2  LYS  39           2HG      LYS  39  -6.781  -4.978  -6.411
  315    HG3  LYS  39           3HG      LYS  39  -6.990  -4.391  -8.060
  316    HD2  LYS  39           2HD      LYS  39  -9.141  -5.083  -7.142
  317    HD3  LYS  39           3HD      LYS  39  -8.688  -6.156  -8.463
  318    HE2  LYS  39           2HE      LYS  39  -8.001  -7.880  -6.873
  319    HE3  LYS  39           3HE      LYS  39  -8.317  -6.786  -5.521
  320    HZ1  LYS  39           3HZ      LYS  39 -10.143  -8.314  -5.811
  321    HZ2  LYS  39           1HZ      LYS  39 -10.339  -7.842  -7.426
  322    HZ3  LYS  39           2HZ      LYS  39 -10.658  -6.748  -6.180
  323    H    ASN  40           H        ASN  40  -4.915  -3.251  -7.294
  324    HA   ASN  40           HA       ASN  40  -5.022  -2.037  -9.842
  325    HB2  ASN  40           2HB      ASN  40  -4.602  -0.916  -7.053
  326    HB3  ASN  40           3HB      ASN  40  -4.571   0.136  -8.465
  327   HD21  ASN  40          1HD2      ASN  40  -6.398   1.235  -7.639
  328   HD22  ASN  40          2HD2      ASN  40  -7.981   0.568  -7.772
  329    H    LEU  41           H        LEU  41  -2.326  -2.558  -7.629
  330    HA   LEU  41           HA       LEU  41  -0.419  -1.267  -9.495
  331    HB2  LEU  41           2HB      LEU  41  -0.204  -2.027  -6.562
  332    HB3  LEU  41           3HB      LEU  41   1.123  -1.350  -7.496
  333    HG   LEU  41           HG       LEU  41  -1.525   0.056  -6.949
  334   HD11  LEU  41          1HD1      LEU  41  -0.179  -0.109  -4.925
  335   HD12  LEU  41          2HD1      LEU  41  -0.239   1.553  -5.505
  336   HD13  LEU  41          3HD1      LEU  41   1.212   0.581  -5.766
  337   HD21  LEU  41          3HD2      LEU  41  -0.576   0.703  -9.114
  338   HD22  LEU  41          1HD2      LEU  41   0.967   1.086  -8.344
  339   HD23  LEU  41          2HD2      LEU  41  -0.477   2.025  -7.960
  340    H    LYS  42           H        LYS  42  -1.576  -4.306  -9.154
  341    HA   LYS  42           HA       LYS  42  -0.921  -6.401  -9.620
  342    HB2  LYS  42           2HB      LYS  42   1.167  -4.826 -11.151
  343    HB3  LYS  42           3HB      LYS  42   1.191  -6.582 -11.177
  344    HG2  LYS  42           2HG      LYS  42   0.048  -5.634 -13.144
  345    HG3  LYS  42           3HG      LYS  42  -1.010  -6.663 -12.190
  346    HD2  LYS  42           2HD      LYS  42  -1.989  -4.587 -11.156
  347    HD3  LYS  42           3HD      LYS  42  -1.001  -3.620 -12.252
  348    HE2  LYS  42           2HE      LYS  42  -2.191  -4.487 -14.169
  349    HE3  LYS  42           3HE      LYS  42  -3.053  -5.658 -13.168
  350    HZ1  LYS  42           3HZ      LYS  42  -3.302  -2.712 -12.927
  351    HZ2  LYS  42           1HZ      LYS  42  -4.166  -3.865 -12.042
  352    HZ3  LYS  42           2HZ      LYS  42  -4.404  -3.723 -13.709
  353    H    LEU  43           H        LEU  43   0.281  -4.962  -7.212
  354    HA   LEU  43           HA       LEU  43   2.594  -6.575  -6.463
  355    HB2  LEU  43           2HB      LEU  43   0.821  -4.676  -4.863
  356    HB3  LEU  43           3HB      LEU  43   2.241  -5.476  -4.202
  357    HG   LEU  43           HG       LEU  43   2.308  -3.495  -6.508
  358   HD11  LEU  43          1HD1      LEU  43   3.003  -3.027  -3.595
  359   HD12  LEU  43          2HD1      LEU  43   1.606  -2.373  -4.453
  360   HD13  LEU  43          3HD1      LEU  43   3.231  -1.879  -4.919
  361   HD21  LEU  43          3HD2      LEU  43   4.163  -5.090  -6.583
  362   HD22  LEU  43          1HD2      LEU  43   4.572  -4.731  -4.901
  363   HD23  LEU  43          2HD2      LEU  43   4.741  -3.487  -6.143
  364    H    THR  44           H        THR  44   2.355  -7.649  -4.163
  365    HA   THR  44           HA       THR  44  -0.153  -9.219  -3.964
  366    HB   THR  44           HB       THR  44   1.050 -10.768  -2.510
  367    HG1  THR  44           HG1      THR  44   3.508 -10.202  -2.409
  368   HG21  THR  44          3HG2      THR  44   2.797 -11.618  -4.026
  369   HG22  THR  44          1HG2      THR  44   2.800 -10.085  -4.899
  370   HG23  THR  44          2HG2      THR  44   1.371 -11.120  -4.939
  371    H    GLU  45           H        GLU  45  -1.178  -9.372  -1.867
  372    HA   GLU  45           HA       GLU  45  -1.480  -7.077  -0.321
  373    HB2  GLU  45           2HB      GLU  45  -1.969  -9.983   0.439
  374    HB3  GLU  45           3HB      GLU  45  -2.441  -8.628   1.463
  375    HG2  GLU  45           2HG      GLU  45  -3.820  -7.770  -0.491
  376    HG3  GLU  45           3HG      GLU  45  -3.496  -9.308  -1.294
  377    H    THR  46           H        THR  46   0.829  -9.733   0.135
  378    HA   THR  46           HA       THR  46   1.985  -8.998   2.582
  379    HB   THR  46           HB       THR  46   3.307 -10.315   0.158
  380    HG1  THR  46           HG1      THR  46   2.060 -11.922   0.728
  381   HG21  THR  46          3HG2      THR  46   4.165 -10.337   3.079
  382   HG22  THR  46          1HG2      THR  46   5.022  -9.530   1.762
  383   HG23  THR  46          2HG2      THR  46   4.900 -11.290   1.791
  384    H    GLN  47           H        GLN  47   2.967  -8.058  -0.757
  385    HA   GLN  47           HA       GLN  47   5.165  -6.432  -0.100
  386    HB2  GLN  47           2HB      GLN  47   3.327  -6.347  -2.527
  387    HB3  GLN  47           3HB      GLN  47   4.804  -5.397  -2.400
  388    HG2  GLN  47           2HG      GLN  47   6.129  -7.474  -2.231
  389    HG3  GLN  47           3HG      GLN  47   4.654  -8.428  -2.369
  390   HE21  GLN  47          1HE2      GLN  47   6.916  -6.386  -4.074
  391   HE22  GLN  47          2HE2      GLN  47   6.376  -6.783  -5.665
  392    H    VAL  48           H        VAL  48   1.801  -5.511  -0.762
  393    HA   VAL  48           HA       VAL  48   1.987  -2.742  -0.360
  394    HB   VAL  48           HB       VAL  48  -0.386  -4.629   0.026
  395   HG11  VAL  48          1HG1      VAL  48  -0.402  -1.604  -0.245
  396   HG12  VAL  48          2HG1      VAL  48  -0.847  -2.532   1.188
  397   HG13  VAL  48          3HG1      VAL  48  -1.833  -2.640  -0.270
  398   HG21  VAL  48          3HG2      VAL  48   0.408  -2.927  -2.378
  399   HG22  VAL  48          1HG2      VAL  48  -1.048  -3.922  -2.256
  400   HG23  VAL  48          2HG2      VAL  48   0.544  -4.682  -2.260
  401    H    LYS  49           H        LYS  49   1.126  -5.330   1.955
  402    HA   LYS  49           HA       LYS  49   0.564  -3.810   4.237
  403    HB2  LYS  49           2HB      LYS  49  -0.018  -6.160   4.119
  404    HB3  LYS  49           3HB      LYS  49   1.668  -6.629   3.930
  405    HG2  LYS  49           2HG      LYS  49   2.141  -5.894   6.234
  406    HG3  LYS  49           3HG      LYS  49   0.456  -5.397   6.425
  407    HD2  LYS  49           2HD      LYS  49  -0.293  -7.719   6.174
  408    HD3  LYS  49           3HD      LYS  49   1.361  -8.248   5.847
  409    HE2  LYS  49           2HE      LYS  49   2.034  -7.612   8.111
  410    HE3  LYS  49           3HE      LYS  49   0.411  -7.003   8.445
  411    HZ1  LYS  49           3HZ      LYS  49   0.664  -9.179   9.371
  412    HZ2  LYS  49           1HZ      LYS  49   1.164  -9.818   7.887
  413    HZ3  LYS  49           2HZ      LYS  49  -0.422  -9.269   8.079
  414    H    ILE  50           H        ILE  50   3.628  -5.336   3.282
  415    HA   ILE  50           HA       ILE  50   5.188  -4.478   5.483
  416    HB   ILE  50           HB       ILE  50   5.920  -5.550   2.727
  417   HG12  ILE  50          2HG1      ILE  50   6.020  -6.837   5.505
  418   HG13  ILE  50          3HG1      ILE  50   4.750  -7.094   4.312
  419   HG21  ILE  50          1HG2      ILE  50   7.859  -5.022   5.014
  420   HG22  ILE  50          2HG2      ILE  50   7.829  -4.191   3.458
  421   HG23  ILE  50          3HG2      ILE  50   8.241  -5.903   3.531
  422   HD11  ILE  50          3HD1      ILE  50   6.282  -8.950   4.366
  423   HD12  ILE  50          1HD1      ILE  50   7.643  -7.882   4.016
  424   HD13  ILE  50          2HD1      ILE  50   6.375  -8.125   2.811
  425    H    TRP  51           H        TRP  51   4.612  -3.044   2.261
  426    HA   TRP  51           HA       TRP  51   6.465  -0.930   2.387
  427    HB2  TRP  51           2HB      TRP  51   5.125  -1.601   0.343
  428    HB3  TRP  51           3HB      TRP  51   3.721  -0.821   1.056
  429    HD1  TRP  51           HD1      TRP  51   6.984  -0.013  -0.757
  430    HE1  TRP  51           HE1      TRP  51   7.030   2.472  -1.383
  431    HE3  TRP  51           HE3      TRP  51   2.902   1.553   1.868
  432    HZ2  TRP  51           HZ2      TRP  51   5.540   4.799  -0.829
  433    HZ3  TRP  51           HZ3      TRP  51   2.281   3.924   1.784
  434    HH2  TRP  51           HH2      TRP  51   3.576   5.519   0.464
  435    H    PHE  52           H        PHE  52   2.983  -0.888   3.259
  436    HA   PHE  52           HA       PHE  52   2.833   1.617   4.472
  437    HB2  PHE  52           2HB      PHE  52   1.222  -0.922   4.795
  438    HB3  PHE  52           3HB      PHE  52   0.895   0.434   5.871
  439    HD1  PHE  52           HD1      PHE  52   1.522   0.014   2.168
  440    HD2  PHE  52           HD2      PHE  52  -0.960   1.709   5.215
  441    HE1  PHE  52           HE1      PHE  52   0.117   1.052   0.450
  442    HE2  PHE  52           HE2      PHE  52  -2.360   2.742   3.484
  443    HZ   PHE  52           HZ       PHE  52  -1.821   2.419   1.103
  444    H    GLN  53           H        GLN  53   3.774  -1.472   5.945
  445    HA   GLN  53           HA       GLN  53   3.852  -0.659   8.652
  446    HB2  GLN  53           2HB      GLN  53   3.784  -3.033   7.841
  447    HB3  GLN  53           3HB      GLN  53   5.454  -2.878   7.303
  448    HG2  GLN  53           2HG      GLN  53   6.122  -2.432   9.680
  449    HG3  GLN  53           3HG      GLN  53   4.452  -2.722  10.166
  450   HE21  GLN  53          1HE2      GLN  53   4.086  -4.972   8.269
  451   HE22  GLN  53          2HE2      GLN  53   4.982  -6.283   8.935
  452    H    ASN  54           H        ASN  54   6.412  -0.836   6.183
  453    HA   ASN  54           HA       ASN  54   8.539   0.117   7.847
  454    HB2  ASN  54           2HB      ASN  54   8.308  -0.089   4.823
  455    HB3  ASN  54           3HB      ASN  54   9.794   0.333   5.672
  456   HD21  ASN  54          1HD2      ASN  54   9.160  -1.946   3.937
  457   HD22  ASN  54          2HD2      ASN  54   9.512  -3.358   4.864
  458    H    ARG  55           H        ARG  55   6.294   1.711   5.586
  459    HA   ARG  55           HA       ARG  55   7.384   4.303   5.748
  460    HB2  ARG  55           2HB      ARG  55   4.845   3.127   4.785
  461    HB3  ARG  55           3HB      ARG  55   4.635   4.747   5.415
  462    HG2  ARG  55           2HG      ARG  55   4.980   4.942   3.074
  463    HG3  ARG  55           3HG      ARG  55   6.430   5.545   3.871
  464    HD2  ARG  55           2HD      ARG  55   6.181   2.757   2.692
  465    HD3  ARG  55           3HD      ARG  55   6.831   4.138   1.819
  466    HE   ARG  55           HE       ARG  55   8.458   4.145   3.882
  467   HH11  ARG  55          1HH1      ARG  55   7.282   1.369   2.178
  468   HH12  ARG  55          2HH1      ARG  55   8.764   0.503   2.369
  469   HH21  ARG  55          1HH2      ARG  55  10.340   3.007   4.105
  470   HH22  ARG  55          2HH2      ARG  55  10.466   1.412   3.447
  471    H    ARG  56           H        ARG  56   5.057   2.626   7.876
  472    HA   ARG  56           HA       ARG  56   4.544   4.733   9.695
  473    HB2  ARG  56           2HB      ARG  56   4.570   1.712  10.044
  474    HB3  ARG  56           3HB      ARG  56   4.054   2.810  11.321
  475    HG2  ARG  56           2HG      ARG  56   2.162   3.560  10.031
  476    HG3  ARG  56           3HG      ARG  56   2.738   2.728   8.583
  477    HD2  ARG  56           2HD      ARG  56   0.867   1.536   9.744
  478    HD3  ARG  56           3HD      ARG  56   2.330   0.561   9.577
  479    HE   ARG  56           HE       ARG  56   1.936   1.997  12.104
  480   HH11  ARG  56          1HH1      ARG  56   1.776  -1.060  10.456
  481   HH12  ARG  56          2HH1      ARG  56   1.741  -1.960  11.929
  482   HH21  ARG  56          1HH2      ARG  56   1.888   0.817  13.960
  483   HH22  ARG  56          2HH2      ARG  56   1.801  -0.910  13.891
  484    H    TYR  57           H        TYR  57   7.126   2.315   9.505
  485    HA   TYR  57           HA       TYR  57   8.593   3.057  11.831
  486    HB2  TYR  57           2HB      TYR  57   8.885   0.869  10.780
  487    HB3  TYR  57           3HB      TYR  57   9.417   1.611   9.277
  488    HD1  TYR  57           HD1      TYR  57  10.402   0.997  12.828
  489    HD2  TYR  57           HD2      TYR  57  11.745   2.199   8.946
  490    HE1  TYR  57           HE1      TYR  57  12.735   0.868  13.590
  491    HE2  TYR  57           HE2      TYR  57  14.071   2.068   9.708
  492    HH   TYR  57           HH       TYR  57  15.318   2.185  11.827
  493    H    LYS  58           H        LYS  58   8.484   4.378   8.574
  494    HA   LYS  58           HA       LYS  58  10.965   5.911   8.842
  495    HB2  LYS  58           2HB      LYS  58   8.922   5.695   6.608
  496    HB3  LYS  58           3HB      LYS  58  10.281   6.810   6.534
  497    HG2  LYS  58           2HG      LYS  58  10.486   3.782   6.735
  498    HG3  LYS  58           3HG      LYS  58  10.709   4.736   5.267
  499    HD2  LYS  58           2HD      LYS  58  12.468   4.819   7.759
  500    HD3  LYS  58           3HD      LYS  58  12.878   4.081   6.209
  501    HE2  LYS  58           2HE      LYS  58  12.456   7.047   6.738
  502    HE3  LYS  58           3HE      LYS  58  13.992   6.244   6.423
  503    HZ1  LYS  58           3HZ      LYS  58  13.152   7.377   4.469
  504    HZ2  LYS  58           1HZ      LYS  58  11.737   6.460   4.504
  505    HZ3  LYS  58           2HZ      LYS  58  13.220   5.711   4.197
  506    H    THR  59           H        THR  59   7.526   6.453   9.276
  507    HA   THR  59           HA       THR  59   7.629   9.339   8.992
  508    HB   THR  59           HB       THR  59   5.260   9.292   9.903
  509    HG1  THR  59           HG1      THR  59   5.972   6.795  10.600
  510   HG21  THR  59          3HG2      THR  59   4.268   8.217   7.909
  511   HG22  THR  59          1HG2      THR  59   5.813   7.466   7.537
  512   HG23  THR  59          2HG2      THR  59   5.652   9.225   7.475
  513    H    LYS  60           H        LYS  60   9.033  10.176  10.425
  514    HA   LYS  60           HA       LYS  60   9.083   9.572  13.248
  515    HB2  LYS  60           2HB      LYS  60  11.082  10.293  11.858
  516    HB3  LYS  60           3HB      LYS  60  10.372  11.897  11.746
  517    HG2  LYS  60           2HG      LYS  60  12.097  11.895  13.442
  518    HG3  LYS  60           3HG      LYS  60  10.530  12.119  14.226
  519    HD2  LYS  60           2HD      LYS  60  10.506   9.821  14.992
  520    HD3  LYS  60           3HD      LYS  60  11.922   9.419  14.016
  521    HE2  LYS  60           2HE      LYS  60  12.493   9.666  16.404
  522    HE3  LYS  60           3HE      LYS  60  13.326  10.862  15.411
  523    HZ1  LYS  60           3HZ      LYS  60  11.754  12.524  16.098
  524    HZ2  LYS  60           1HZ      LYS  60  12.403  11.780  17.470
  525    HZ3  LYS  60           2HZ      LYS  60  10.848  11.385  16.953
  526    H    ARG  61           H        ARG  61   7.172  10.086  14.245
  527    HA   ARG  61           HA       ARG  61   5.466  12.218  13.458
  528    HB2  ARG  61           2HB      ARG  61   5.401  10.625  16.039
  529    HB3  ARG  61           3HB      ARG  61   4.094  11.614  15.396
  530    HG2  ARG  61           2HG      ARG  61   3.875  10.086  13.474
  531    HG3  ARG  61           3HG      ARG  61   5.201   9.098  14.108
  532    HD2  ARG  61           2HD      ARG  61   2.508   9.593  15.429
  533    HD3  ARG  61           3HD      ARG  61   3.067   8.081  14.711
  534    HE   ARG  61           HE       ARG  61   4.794   8.021  16.485
  535   HH11  ARG  61          1HH1      ARG  61   2.027  10.006  17.110
  536   HH12  ARG  61          2HH1      ARG  61   2.148   9.808  18.821
  537   HH21  ARG  61          1HH2      ARG  61   4.918   7.812  18.682
  538   HH22  ARG  61          2HH2      ARG  61   3.750   8.596  19.689
  539    H    LYS  62           H        LYS  62   6.140  14.248  13.698
  540    HA   LYS  62           HA       LYS  62   7.590  15.318  15.925
  541    HB2  LYS  62           2HB      LYS  62   7.548  16.154  13.500
  542    HB3  LYS  62           3HB      LYS  62   5.969  16.830  13.843
  543    HG2  LYS  62           2HG      LYS  62   6.976  18.310  15.554
  544    HG3  LYS  62           3HG      LYS  62   8.564  17.611  15.208
  545    HD2  LYS  62           2HD      LYS  62   8.288  18.379  12.804
  546    HD3  LYS  62           3HD      LYS  62   6.816  19.221  13.300
  547    HE2  LYS  62           2HE      LYS  62   9.606  19.762  14.367
  548    HE3  LYS  62           3HE      LYS  62   8.766  20.740  13.166
  549    HZ1  LYS  62           3HZ      LYS  62   7.050  21.178  14.856
  550    HZ2  LYS  62           1HZ      LYS  62   8.577  21.753  15.302
  551    HZ3  LYS  62           2HZ      LYS  62   7.970  20.336  15.996
  552    H    GLN  63           H        GLN  63   6.778  16.411  17.720
  553    HA   GLN  63           HA       GLN  63   4.585  15.265  18.920
  554    HB2  GLN  63           2HB      GLN  63   4.911  16.996  20.742
  555    HB3  GLN  63           3HB      GLN  63   6.348  16.094  20.273
  556    HG2  GLN  63           2HG      GLN  63   7.108  18.016  18.913
  557    HG3  GLN  63           3HG      GLN  63   5.669  18.919  19.391
  558   HE21  GLN  63          1HE2      GLN  63   7.009  20.550  20.302
  559   HE22  GLN  63          2HE2      GLN  63   7.816  20.326  21.810
  560    H    LEU  64           H        LEU  64   4.521  18.305  17.120
  561    HA   LEU  64           HA       LEU  64   1.586  18.139  17.099
  562    HB2  LEU  64           2HB      LEU  64   2.609  19.984  18.768
  563    HB3  LEU  64           3HB      LEU  64   2.804  20.903  17.291
  564    HG   LEU  64           HG       LEU  64   0.195  19.928  18.524
  565   HD11  LEU  64          1HD1      LEU  64   1.116  21.888  19.620
  566   HD12  LEU  64          2HD1      LEU  64  -0.354  22.306  18.747
  567   HD13  LEU  64          3HD1      LEU  64   1.223  22.743  18.079
  568   HD21  LEU  64          3HD2      LEU  64  -0.056  19.728  16.107
  569   HD22  LEU  64          1HD2      LEU  64   0.500  21.386  15.878
  570   HD23  LEU  64          2HD2      LEU  64  -1.025  21.068  16.711
  571    H    SER  65           H        SER  65   2.247  17.112  15.090
  572    HA   SER  65           HA       SER  65   2.020  18.933  12.851
  573    HB2  SER  65           2HB      SER  65   4.498  18.907  13.173
  574    HB3  SER  65           3HB      SER  65   4.496  17.154  13.011
  575    HG   SER  65           HG       SER  65   4.709  18.937  11.095
  576    H    SER  66           H        SER  66   2.068  17.560  10.727
  577    HA   SER  66           HA       SER  66  -0.138  15.848  10.801
  578    HB2  SER  66           2HB      SER  66   0.553  17.124   8.796
  579    HB3  SER  66           3HB      SER  66   1.960  16.081   8.607
  580    HG   SER  66           HG       SER  66  -0.717  15.592   8.050
  581    H    GLU  67           H        GLU  67  -0.449  13.638  10.531
  582    HA   GLU  67           HA       GLU  67  -0.182  11.412  10.746
  583    HB2  GLU  67           2HB      GLU  67   2.760  11.905  10.111
  584    HB3  GLU  67           3HB      GLU  67   1.996  10.318  10.168
  585    HG2  GLU  67           2HG      GLU  67   0.506  10.981   8.292
  586    HG3  GLU  67           3HG      GLU  67   1.308  12.552   8.225
  587    H    LEU  68           H        LEU  68   0.502  13.410  13.036
  588    HA   LEU  68           HA       LEU  68   2.112  11.985  14.916
  589    HB2  LEU  68           2HB      LEU  68   1.585  14.450  14.996
  590    HB3  LEU  68           3HB      LEU  68  -0.050  14.063  15.474
  591    HG   LEU  68           HG       LEU  68   1.575  14.858  17.313
  592   HD11  LEU  68          1HD1      LEU  68   0.143  12.247  17.851
  593   HD12  LEU  68          2HD1      LEU  68  -0.569  13.860  17.914
  594   HD13  LEU  68          3HD1      LEU  68   0.688  13.411  19.064
  595   HD21  LEU  68          3HD2      LEU  68   3.085  13.224  18.333
  596   HD22  LEU  68          1HD2      LEU  68   3.537  13.522  16.656
  597   HD23  LEU  68          2HD2      LEU  68   2.685  12.037  17.089
  598    H    GLY  69           H        GLY  69  -1.421  12.184  14.413
  599    HA2  GLY  69           2HA      GLY  69  -2.074  10.204  16.426
  600    HA3  GLY  69           3HA      GLY  69  -3.169  10.936  15.264
  Start of MODEL    4
    1    H1   MET   1           1H       MET   1  16.119  10.518 -18.682
    2    H2   MET   1           2H       MET   1  14.697  11.401 -18.896
    3    H3   MET   1           3H       MET   1  14.958   9.990 -19.783
    4    HA   MET   1           HA       MET   1  14.652  10.142 -16.849
    5    HB2  MET   1           2HB      MET   1  12.445   9.084 -17.187
    6    HB3  MET   1           3HB      MET   1  12.535  10.625 -18.021
    7    HG2  MET   1           2HG      MET   1  12.893   9.451 -20.164
    8    HG3  MET   1           3HG      MET   1  12.800   7.901 -19.323
    9    HE1  MET   1           3HE      MET   1  10.984   8.552 -21.848
   10    HE2  MET   1           1HE      MET   1   9.413   7.972 -21.304
   11    HE3  MET   1           2HE      MET   1  10.868   7.037 -20.952
   12    H    GLY   2           H        GLY   2  14.324   7.974 -15.864
   13    HA2  GLY   2           2HA      GLY   2  14.371   5.625 -15.842
   14    HA3  GLY   2           3HA      GLY   2  15.119   5.614 -17.425
   15    H    HIS   3           H        HIS   3  15.635   5.125 -14.164
   16    HA   HIS   3           HA       HIS   3  18.571   5.490 -14.297
   17    HB2  HIS   3           2HB      HIS   3  16.769   4.845 -11.918
   18    HB3  HIS   3           3HB      HIS   3  18.512   5.099 -11.837
   19    HD1  HIS   3           HD1      HIS   3  19.356   7.551 -11.977
   20    HD2  HIS   3           HD2      HIS   3  15.226   7.186 -12.205
   21    HE1  HIS   3           HE1      HIS   3  18.458   9.868 -11.680
   22    HE2  HIS   3           HE2      HIS   3  15.968   9.633 -11.880
   23    H    HIS   4           H        HIS   4  19.885   3.724 -13.340
   24    HA   HIS   4           HA       HIS   4  19.291   1.161 -14.512
   25    HB2  HIS   4           2HB      HIS   4  21.568   1.933 -12.631
   26    HB3  HIS   4           3HB      HIS   4  21.500   0.490 -13.641
   27    HD1  HIS   4           HD1      HIS   4  22.534   4.018 -13.674
   28    HD2  HIS   4           HD2      HIS   4  21.687   1.087 -16.501
   29    HE1  HIS   4           HE1      HIS   4  23.479   4.865 -15.837
   30    HE2  HIS   4           HE2      HIS   4  22.973   3.077 -17.521
   31    H    HIS   5           H        HIS   5  18.321  -0.554 -13.550
   32    HA   HIS   5           HA       HIS   5  17.135  -0.337 -10.945
   33    HB2  HIS   5           2HB      HIS   5  17.249  -2.739 -12.819
   34    HB3  HIS   5           3HB      HIS   5  16.179  -2.565 -11.429
   35    HD1  HIS   5           HD1      HIS   5  16.044  -2.317 -14.944
   36    HD2  HIS   5           HD2      HIS   5  14.541   0.026 -11.860
   37    HE1  HIS   5           HE1      HIS   5  14.175  -0.991 -15.950
   38    HE2  HIS   5           HE2      HIS   5  13.163   0.264 -14.027
   39    H    HIS   6           H        HIS   6  18.376  -0.525  -9.174
   40    HA   HIS   6           HA       HIS   6  20.657  -2.314  -8.959
   41    HB2  HIS   6           2HB      HIS   6  19.346  -0.475  -6.917
   42    HB3  HIS   6           3HB      HIS   6  20.849  -1.360  -6.651
   43    HD1  HIS   6           HD1      HIS   6  19.446   1.541  -8.606
   44    HD2  HIS   6           HD2      HIS   6  23.112  -0.271  -7.890
   45    HE1  HIS   6           HE1      HIS   6  21.165   3.113  -9.521
   46    HE2  HIS   6           HE2      HIS   6  23.357   1.932  -9.206
   47    H    HIS   7           H        HIS   7  20.868  -3.809  -7.069
   48    HA   HIS   7           HA       HIS   7  18.827  -5.790  -7.215
   49    HB2  HIS   7           2HB      HIS   7  21.308  -5.724  -5.453
   50    HB3  HIS   7           3HB      HIS   7  20.300  -7.144  -5.745
   51    HD1  HIS   7           HD1      HIS   7  20.198  -7.911  -8.351
   52    HD2  HIS   7           HD2      HIS   7  23.329  -5.394  -7.298
   53    HE1  HIS   7           HE1      HIS   7  21.862  -8.096 -10.212
   54    HE2  HIS   7           HE2      HIS   7  23.796  -6.660  -9.499
   55    H    HIS   8           H        HIS   8  17.010  -4.644  -6.382
   56    HA   HIS   8           HA       HIS   8  16.507  -5.049  -3.544
   57    HB2  HIS   8           2HB      HIS   8  16.257  -2.279  -4.823
   58    HB3  HIS   8           3HB      HIS   8  15.509  -2.712  -3.289
   59    HD1  HIS   8           HD1      HIS   8  17.286  -3.450  -1.360
   60    HD2  HIS   8           HD2      HIS   8  18.826  -1.293  -4.563
   61    HE1  HIS   8           HE1      HIS   8  19.519  -2.620  -0.601
   62    HE2  HIS   8           HE2      HIS   8  20.347  -1.183  -2.478
   63    H    SER   9           H        SER   9  14.401  -5.664  -3.226
   64    HA   SER   9           HA       SER   9  12.534  -5.776  -5.465
   65    HB2  SER   9           2HB      SER   9  11.046  -6.968  -3.801
   66    HB3  SER   9           3HB      SER   9  12.622  -7.725  -4.012
   67    HG   SER   9           HG       SER   9  12.152  -5.862  -1.932
   68    H    HIS  10           H        HIS  10  12.153  -3.551  -5.855
   69    HA   HIS  10           HA       HIS  10  10.463  -2.147  -3.849
   70    HB2  HIS  10           2HB      HIS  10  11.453  -0.022  -4.441
   71    HB3  HIS  10           3HB      HIS  10  12.764  -1.130  -4.060
   72    HD1  HIS  10           HD1      HIS  10  11.536   1.120  -6.665
   73    HD2  HIS  10           HD2      HIS  10  14.196  -2.057  -6.451
   74    HE1  HIS  10           HE1      HIS  10  12.863   1.222  -8.780
   75    HE2  HIS  10           HE2      HIS  10  14.270  -0.854  -8.733
   76    H    MET  11           H        MET  11   8.680  -1.034  -4.624
   77    HA   MET  11           HA       MET  11   7.582  -1.563  -7.175
   78    HB2  MET  11           2HB      MET  11   6.913   0.653  -5.196
   79    HB3  MET  11           3HB      MET  11   5.910   0.183  -6.563
   80    HG2  MET  11           2HG      MET  11   4.971  -0.781  -4.591
   81    HG3  MET  11           3HG      MET  11   5.680  -2.087  -5.534
   82    HE1  MET  11           3HE      MET  11   4.809  -2.220  -2.396
   83    HE2  MET  11           1HE      MET  11   6.154  -3.117  -1.701
   84    HE3  MET  11           2HE      MET  11   5.455  -3.630  -3.239
   85    H    SER  12           H        SER  12   6.910   0.218  -8.717
   86    HA   SER  12           HA       SER  12   9.250   1.643  -9.725
   87    HB2  SER  12           2HB      SER  12   7.713   0.513 -11.311
   88    HB3  SER  12           3HB      SER  12   6.382   1.536 -10.779
   89    HG   SER  12           HG       SER  12   7.063   3.021 -12.078
   90    H    HIS  13           H        HIS  13   9.045   4.056 -10.305
   91    HA   HIS  13           HA       HIS  13   8.832   5.544  -7.979
   92    HB2  HIS  13           2HB      HIS  13  10.117   6.302  -9.937
   93    HB3  HIS  13           3HB      HIS  13   8.633   6.595 -10.831
   94    HD1  HIS  13           HD1      HIS  13  10.560   7.937  -7.861
   95    HD2  HIS  13           HD2      HIS  13   7.453   9.076 -10.366
   96    HE1  HIS  13           HE1      HIS  13  10.083  10.327  -7.299
   97    HE2  HIS  13           HE2      HIS  13   8.142  10.964  -8.758
   98    H    THR  14           H        THR  14   6.456   5.732 -10.697
   99    HA   THR  14           HA       THR  14   4.584   7.399  -9.368
  100    HB   THR  14           HB       THR  14   4.179   5.499 -11.726
  101    HG1  THR  14           HG1      THR  14   5.352   7.001 -12.640
  102   HG21  THR  14          3HG2      THR  14   2.384   7.791 -10.835
  103   HG22  THR  14          1HG2      THR  14   1.977   6.074 -10.739
  104   HG23  THR  14          2HG2      THR  14   2.193   6.844 -12.311
  105    H    GLN  15           H        GLN  15   4.976   3.899  -9.465
  106    HA   GLN  15           HA       GLN  15   2.464   3.102  -8.402
  107    HB2  GLN  15           2HB      GLN  15   3.999   1.645  -9.705
  108    HB3  GLN  15           3HB      GLN  15   5.148   1.673  -8.375
  109    HG2  GLN  15           2HG      GLN  15   3.512   0.488  -6.945
  110    HG3  GLN  15           3HG      GLN  15   2.366   0.458  -8.291
  111   HE21  GLN  15          1HE2      GLN  15   2.344  -1.805  -8.387
  112   HE22  GLN  15          2HE2      GLN  15   3.679  -2.729  -8.944
  113    H    VAL  16           H        VAL  16   5.644   3.664  -6.829
  114    HA   VAL  16           HA       VAL  16   4.932   3.172  -4.154
  115    HB   VAL  16           HB       VAL  16   6.954   5.253  -5.161
  116   HG11  VAL  16          1HG1      VAL  16   6.755   3.950  -2.410
  117   HG12  VAL  16          2HG1      VAL  16   6.387   5.633  -2.792
  118   HG13  VAL  16          3HG1      VAL  16   8.041   5.040  -2.940
  119   HG21  VAL  16          3HG2      VAL  16   8.687   3.519  -4.832
  120   HG22  VAL  16          1HG2      VAL  16   7.491   3.004  -6.020
  121   HG23  VAL  16          2HG2      VAL  16   7.446   2.345  -4.385
  122    H    ILE  17           H        ILE  17   4.755   6.157  -6.110
  123    HA   ILE  17           HA       ILE  17   3.678   7.913  -4.195
  124    HB   ILE  17           HB       ILE  17   3.288   7.923  -7.224
  125   HG12  ILE  17          2HG1      ILE  17   5.332   9.432  -5.512
  126   HG13  ILE  17          3HG1      ILE  17   5.679   8.039  -6.523
  127   HG21  ILE  17          1HG2      ILE  17   1.579   9.325  -6.135
  128   HG22  ILE  17          2HG2      ILE  17   2.727  10.319  -7.026
  129   HG23  ILE  17          3HG2      ILE  17   2.835  10.210  -5.268
  130   HD11  ILE  17          3HD1      ILE  17   6.397  10.082  -7.585
  131   HD12  ILE  17          1HD1      ILE  17   4.767  10.748  -7.486
  132   HD13  ILE  17          2HD1      ILE  17   5.090   9.348  -8.512
  133    H    GLU  18           H        GLU  18   2.031   5.624  -6.403
  134    HA   GLU  18           HA       GLU  18  -0.653   6.310  -5.836
  135    HB2  GLU  18           2HB      GLU  18   0.558   3.651  -6.697
  136    HB3  GLU  18           3HB      GLU  18  -1.174   3.949  -6.624
  137    HG2  GLU  18           2HG      GLU  18   0.771   5.461  -8.387
  138    HG3  GLU  18           3HG      GLU  18  -0.223   4.108  -8.916
  139    H    LEU  19           H        LEU  19   1.476   3.846  -4.394
  140    HA   LEU  19           HA       LEU  19  -0.199   2.854  -2.370
  141    HB2  LEU  19           2HB      LEU  19   2.814   3.196  -2.499
  142    HB3  LEU  19           3HB      LEU  19   2.013   2.315  -1.214
  143    HG   LEU  19           HG       LEU  19   1.781   1.500  -4.133
  144   HD11  LEU  19          1HD1      LEU  19   3.763   0.462  -2.084
  145   HD12  LEU  19          2HD1      LEU  19   4.146   1.436  -3.507
  146   HD13  LEU  19          3HD1      LEU  19   3.498  -0.188  -3.705
  147   HD21  LEU  19          3HD2      LEU  19   1.083  -0.663  -3.211
  148   HD22  LEU  19          1HD2      LEU  19   0.025   0.628  -2.651
  149   HD23  LEU  19          2HD2      LEU  19   1.246  -0.039  -1.567
  150    H    GLU  20           H        GLU  20   1.939   5.724  -2.422
  151    HA   GLU  20           HA       GLU  20   1.581   6.536   0.292
  152    HB2  GLU  20           2HB      GLU  20   2.444   8.142  -2.146
  153    HB3  GLU  20           3HB      GLU  20   2.481   8.761  -0.498
  154    HG2  GLU  20           2HG      GLU  20   4.113   6.990   0.109
  155    HG3  GLU  20           3HG      GLU  20   4.102   6.424  -1.559
  156    H    ARG  21           H        ARG  21  -0.217   7.191  -2.683
  157    HA   ARG  21           HA       ARG  21  -1.903   9.241  -1.684
  158    HB2  ARG  21           2HB      ARG  21  -2.321   7.280  -3.975
  159    HB3  ARG  21           3HB      ARG  21  -3.432   8.602  -3.613
  160    HG2  ARG  21           2HG      ARG  21  -1.667  10.252  -4.037
  161    HG3  ARG  21           3HG      ARG  21  -0.496   8.962  -4.311
  162    HD2  ARG  21           2HD      ARG  21  -1.211   9.843  -6.450
  163    HD3  ARG  21           3HD      ARG  21  -1.840   8.204  -6.269
  164    HE   ARG  21           HE       ARG  21  -3.687  10.275  -5.460
  165   HH11  ARG  21          1HH1      ARG  21  -2.666   8.295  -8.109
  166   HH12  ARG  21          2HH1      ARG  21  -4.084   8.630  -9.035
  167   HH21  ARG  21          2HH2      ARG  21  -5.485  10.671  -6.668
  168   HH22  ARG  21          1HH2      ARG  21  -5.664   9.945  -8.227
  169    H    LYS  22           H        LYS  22  -2.151   5.709  -1.602
  170    HA   LYS  22           HA       LYS  22  -4.722   5.641  -0.290
  171    HB2  LYS  22           2HB      LYS  22  -3.742   3.749  -1.655
  172    HB3  LYS  22           3HB      LYS  22  -2.563   3.484  -0.374
  173    HG2  LYS  22           2HG      LYS  22  -4.351   1.868  -0.159
  174    HG3  LYS  22           3HG      LYS  22  -4.428   2.990   1.203
  175    HD2  LYS  22           2HD      LYS  22  -6.251   4.239   0.062
  176    HD3  LYS  22           3HD      LYS  22  -6.174   3.110  -1.294
  177    HE2  LYS  22           2HE      LYS  22  -6.846   1.273   0.203
  178    HE3  LYS  22           3HE      LYS  22  -6.907   2.398   1.561
  179    HZ1  LYS  22           3HZ      LYS  22  -9.097   2.030   0.664
  180    HZ2  LYS  22           1HZ      LYS  22  -8.592   2.514  -0.875
  181    HZ3  LYS  22           2HZ      LYS  22  -8.633   3.631   0.390
  182    H    PHE  23           H        PHE  23  -1.356   5.459   0.727
  183    HA   PHE  23           HA       PHE  23  -1.623   4.891   3.460
  184    HB2  PHE  23           2HB      PHE  23   0.472   4.605   2.199
  185    HB3  PHE  23           3HB      PHE  23   0.579   6.337   1.930
  186    HD1  PHE  23           HD2      PHE  23   0.582   3.772   4.666
  187    HD2  PHE  23           HD1      PHE  23   1.815   7.681   3.447
  188    HE1  PHE  23           HE2      PHE  23   1.949   3.973   6.687
  189    HE2  PHE  23           HE1      PHE  23   3.184   7.876   5.471
  190    HZ   PHE  23           HZ       PHE  23   3.257   6.024   7.097
  191    H    SER  24           H        SER  24  -1.554   7.976   1.726
  192    HA   SER  24           HA       SER  24  -1.413   9.720   3.900
  193    HB2  SER  24           2HB      SER  24  -2.206  11.459   2.329
  194    HB3  SER  24           3HB      SER  24  -0.966  10.443   1.592
  195    HG   SER  24           HG       SER  24  -2.354   9.876   0.143
  196    H    HIS  25           H        HIS  25  -4.303   8.367   2.231
  197    HA   HIS  25           HA       HIS  25  -6.175   9.851   3.829
  198    HB2  HIS  25           2HB      HIS  25  -6.511   7.476   1.964
  199    HB3  HIS  25           3HB      HIS  25  -7.861   8.205   2.828
  200    HD1  HIS  25           HD1      HIS  25  -8.287  10.831   2.239
  201    HD2  HIS  25           HD2      HIS  25  -5.964   8.678  -0.437
  202    HE1  HIS  25           HE1      HIS  25  -8.278  12.167   0.123
  203    HE2  HIS  25           HE2      HIS  25  -6.693  10.950  -1.392
  204    H    GLN  26           H        GLN  26  -4.784   6.572   4.005
  205    HA   GLN  26           HA       GLN  26  -5.475   6.446   6.846
  206    HB2  GLN  26           2HB      GLN  26  -6.508   4.213   6.723
  207    HB3  GLN  26           3HB      GLN  26  -7.441   5.400   5.821
  208    HG2  GLN  26           2HG      GLN  26  -6.476   4.533   3.700
  209    HG3  GLN  26           3HG      GLN  26  -5.563   3.339   4.631
  210   HE21  GLN  26          1HE2      GLN  26  -6.691   1.614   5.582
  211   HE22  GLN  26          2HE2      GLN  26  -8.294   1.183   5.115
  212    H    LYS  27           H        LYS  27  -3.957   5.450   8.024
  213    HA   LYS  27           HA       LYS  27  -1.428   4.745   6.781
  214    HB2  LYS  27           2HB      LYS  27  -2.305   4.854   9.699
  215    HB3  LYS  27           3HB      LYS  27  -0.644   4.581   9.172
  216    HG2  LYS  27           2HG      LYS  27  -2.260   7.076   8.538
  217    HG3  LYS  27           3HG      LYS  27  -1.108   6.941   9.870
  218    HD2  LYS  27           2HD      LYS  27   0.744   6.672   8.359
  219    HD3  LYS  27           3HD      LYS  27  -0.325   6.449   6.974
  220    HE2  LYS  27           2HE      LYS  27  -0.070   9.027   8.551
  221    HE3  LYS  27           3HE      LYS  27   0.759   8.686   7.031
  222    HZ1  LYS  27           3HZ      LYS  27  -2.181   8.819   7.425
  223    HZ2  LYS  27           1HZ      LYS  27  -1.411   8.423   5.975
  224    HZ3  LYS  27           2HZ      LYS  27  -1.221   9.962   6.632
  225    H    TYR  28           H        TYR  28  -3.996   3.110   8.528
  226    HA   TYR  28           HA       TYR  28  -2.695   0.468   8.222
  227    HB2  TYR  28           2HB      TYR  28  -5.007   1.227  10.070
  228    HB3  TYR  28           3HB      TYR  28  -4.130  -0.303  10.053
  229    HD1  TYR  28           HD2      TYR  28  -1.796  -0.401  10.965
  230    HD2  TYR  28           HD1      TYR  28  -4.092   3.197  11.207
  231    HE1  TYR  28           HE2      TYR  28  -0.234   0.484  12.640
  232    HE2  TYR  28           HE1      TYR  28  -2.534   4.081  12.877
  233    HH   TYR  28           HH       TYR  28  -0.904   3.155  14.562
  234    H    LEU  29           H        LEU  29  -3.531  -0.789   6.630
  235    HA   LEU  29           HA       LEU  29  -6.160  -0.222   5.445
  236    HB2  LEU  29           2HB      LEU  29  -4.062  -2.275   4.630
  237    HB3  LEU  29           3HB      LEU  29  -5.494  -1.840   3.708
  238    HG   LEU  29           HG       LEU  29  -3.065  -0.085   4.229
  239   HD11  LEU  29          1HD1      LEU  29  -2.706  -1.805   2.529
  240   HD12  LEU  29          2HD1      LEU  29  -2.719  -0.193   1.821
  241   HD13  LEU  29          3HD1      LEU  29  -4.127  -1.245   1.641
  242   HD21  LEU  29          3HD2      LEU  29  -5.615   0.644   2.755
  243   HD22  LEU  29          1HD2      LEU  29  -4.141   1.615   2.807
  244   HD23  LEU  29          2HD2      LEU  29  -5.055   1.326   4.285
  245    H    SER  30           H        SER  30  -7.897  -1.675   5.478
  246    HA   SER  30           HA       SER  30  -7.721  -4.119   7.106
  247    HB2  SER  30           2HB      SER  30 -10.083  -2.967   5.554
  248    HB3  SER  30           3HB      SER  30 -10.154  -4.348   6.652
  249    HG   SER  30           HG       SER  30  -9.754  -1.614   7.227
  250    H    ALA  31           H        ALA  31  -8.868  -6.098   5.964
  251    HA   ALA  31           HA       ALA  31  -7.200  -7.070   3.976
  252    HB1  ALA  31           3HB      ALA  31  -8.512  -8.524   5.460
  253    HB2  ALA  31           1HB      ALA  31  -8.723  -8.977   3.772
  254    HB3  ALA  31           2HB      ALA  31  -9.991  -8.079   4.609
  255    HA   PRO  32           HA       PRO  32 -10.530  -6.029   0.515
  256    HB2  PRO  32           2HB      PRO  32 -12.133  -3.793   1.060
  257    HB3  PRO  32           3HB      PRO  32 -12.656  -5.483   1.182
  258    HG2  PRO  32           2HG      PRO  32 -11.750  -3.631   3.346
  259    HG3  PRO  32           3HG      PRO  32 -13.052  -4.841   3.369
  260    HD2  PRO  32           2HD      PRO  32 -10.657  -5.307   4.534
  261    HD3  PRO  32           3HD      PRO  32 -11.582  -6.608   3.757
  262    H    GLU  33           H        GLU  33  -9.430  -3.137   2.474
  263    HA   GLU  33           HA       GLU  33  -8.798  -1.482   0.282
  264    HB2  GLU  33           2HB      GLU  33  -7.528  -1.505   3.052
  265    HB3  GLU  33           3HB      GLU  33  -7.188  -0.282   1.836
  266    HG2  GLU  33           2HG      GLU  33  -8.762   0.840   3.057
  267    HG3  GLU  33           3HG      GLU  33  -9.815   0.061   1.884
  268    H    ARG  34           H        ARG  34  -6.736  -3.798   2.033
  269    HA   ARG  34           HA       ARG  34  -4.290  -3.141   0.734
  270    HB2  ARG  34           2HB      ARG  34  -4.440  -4.234   2.960
  271    HB3  ARG  34           3HB      ARG  34  -5.083  -5.690   2.207
  272    HG2  ARG  34           2HG      ARG  34  -2.937  -5.955   0.956
  273    HG3  ARG  34           3HG      ARG  34  -2.307  -4.521   1.771
  274    HD2  ARG  34           2HD      ARG  34  -1.498  -6.585   2.837
  275    HD3  ARG  34           3HD      ARG  34  -2.512  -5.650   3.945
  276    HE   ARG  34           HE       ARG  34  -3.981  -7.632   2.486
  277   HH11  ARG  34          1HH1      ARG  34  -2.012  -7.210   5.302
  278   HH12  ARG  34          2HH1      ARG  34  -2.691  -8.587   6.095
  279   HH21  ARG  34          1HH2      ARG  34  -4.828  -9.364   3.510
  280   HH22  ARG  34          2HH2      ARG  34  -4.279  -9.786   5.097
  281    H    ALA  35           H        ALA  35  -6.709  -5.710   0.165
  282    HA   ALA  35           HA       ALA  35  -5.382  -7.049  -1.940
  283    HB1  ALA  35           3HB      ALA  35  -7.204  -8.060  -0.645
  284    HB2  ALA  35           1HB      ALA  35  -7.553  -8.115  -2.375
  285    HB3  ALA  35           2HB      ALA  35  -8.353  -6.922  -1.345
  286    H    HIS  36           H        HIS  36  -7.938  -4.515  -2.036
  287    HA   HIS  36           HA       HIS  36  -8.162  -4.236  -4.819
  288    HB2  HIS  36           2HB      HIS  36  -8.654  -2.303  -2.537
  289    HB3  HIS  36           3HB      HIS  36  -8.803  -1.751  -4.200
  290    HD1  HIS  36           HD1      HIS  36 -10.457  -3.601  -5.638
  291    HD2  HIS  36           HD2      HIS  36 -11.121  -2.968  -1.593
  292    HE1  HIS  36           HE1      HIS  36 -12.840  -4.242  -5.242
  293    HE2  HIS  36           HE2      HIS  36 -13.265  -3.693  -2.827
  294    H    LEU  37           H        LEU  37  -6.064  -2.451  -2.559
  295    HA   LEU  37           HA       LEU  37  -4.780  -0.747  -4.383
  296    HB2  LEU  37           2HB      LEU  37  -4.779  -0.432  -1.950
  297    HB3  LEU  37           3HB      LEU  37  -3.824  -1.891  -1.738
  298    HG   LEU  37           HG       LEU  37  -1.904  -0.800  -2.884
  299   HD11  LEU  37          1HD1      LEU  37  -1.902   1.598  -3.364
  300   HD12  LEU  37          2HD1      LEU  37  -3.617   1.702  -2.947
  301   HD13  LEU  37          3HD1      LEU  37  -3.100   0.753  -4.343
  302   HD21  LEU  37          3HD2      LEU  37  -2.997   0.795  -0.554
  303   HD22  LEU  37          1HD2      LEU  37  -1.316   0.751  -1.089
  304   HD23  LEU  37          2HD2      LEU  37  -2.077  -0.703  -0.455
  305    H    ALA  38           H        ALA  38  -3.903  -4.001  -3.246
  306    HA   ALA  38           HA       ALA  38  -1.440  -4.333  -4.541
  307    HB1  ALA  38           3HB      ALA  38  -3.501  -6.461  -3.863
  308    HB2  ALA  38           1HB      ALA  38  -2.257  -5.840  -2.776
  309    HB3  ALA  38           2HB      ALA  38  -1.793  -6.749  -4.217
  310    H    LYS  39           H        LYS  39  -4.689  -5.441  -5.678
  311    HA   LYS  39           HA       LYS  39  -3.715  -6.473  -8.153
  312    HB2  LYS  39           2HB      LYS  39  -6.071  -6.844  -8.733
  313    HB3  LYS  39           3HB      LYS  39  -5.720  -7.361  -7.090
  314    HG2  LYS  39           2HG      LYS  39  -6.729  -5.207  -6.260
  315    HG3  LYS  39           3HG      LYS  39  -7.213  -4.855  -7.920
  316    HD2  LYS  39           2HD      LYS  39  -9.090  -5.818  -6.662
  317    HD3  LYS  39           3HD      LYS  39  -8.598  -6.911  -7.957
  318    HE2  LYS  39           2HE      LYS  39  -7.368  -8.301  -6.324
  319    HE3  LYS  39           3HE      LYS  39  -7.816  -7.185  -5.031
  320    HZ1  LYS  39           3HZ      LYS  39 -10.123  -7.737  -5.387
  321    HZ2  LYS  39           1HZ      LYS  39  -9.232  -9.144  -5.089
  322    HZ3  LYS  39           2HZ      LYS  39  -9.720  -8.771  -6.663
  323    H    ASN  40           H        ASN  40  -5.104  -3.321  -7.324
  324    HA   ASN  40           HA       ASN  40  -5.370  -2.239  -9.917
  325    HB2  ASN  40           2HB      ASN  40  -4.776  -0.870  -7.267
  326    HB3  ASN  40           3HB      ASN  40  -5.071   0.024  -8.756
  327   HD21  ASN  40          1HD2      ASN  40  -6.596  -0.027  -6.246
  328   HD22  ASN  40          2HD2      ASN  40  -8.202  -0.462  -6.689
  329    H    LEU  41           H        LEU  41  -2.521  -2.596  -7.860
  330    HA   LEU  41           HA       LEU  41  -0.781  -1.276  -9.882
  331    HB2  LEU  41           2HB      LEU  41  -0.241  -1.945  -6.964
  332    HB3  LEU  41           3HB      LEU  41   0.861  -1.100  -8.036
  333    HG   LEU  41           HG       LEU  41  -1.833  -0.056  -7.090
  334   HD11  LEU  41          1HD1      LEU  41   0.966   0.837  -6.351
  335   HD12  LEU  41          2HD1      LEU  41  -0.165  -0.032  -5.312
  336   HD13  LEU  41          3HD1      LEU  41  -0.539   1.607  -5.839
  337   HD21  LEU  41          3HD2      LEU  41   0.227   1.285  -8.876
  338   HD22  LEU  41          1HD2      LEU  41  -1.219   2.052  -8.214
  339   HD23  LEU  41          2HD2      LEU  41  -1.377   0.726  -9.362
  340    H    LYS  42           H        LYS  42  -1.820  -4.313  -9.321
  341    HA   LYS  42           HA       LYS  42  -1.153  -6.431  -9.645
  342    HB2  LYS  42           2HB      LYS  42   0.968  -5.102 -11.368
  343    HB3  LYS  42           3HB      LYS  42   0.600  -6.825 -11.407
  344    HG2  LYS  42           2HG      LYS  42  -1.302  -4.570 -12.128
  345    HG3  LYS  42           3HG      LYS  42  -0.498  -5.657 -13.265
  346    HD2  LYS  42           2HD      LYS  42  -1.730  -7.585 -12.297
  347    HD3  LYS  42           3HD      LYS  42  -2.519  -6.508 -11.142
  348    HE2  LYS  42           2HE      LYS  42  -4.037  -7.012 -12.983
  349    HE3  LYS  42           3HE      LYS  42  -3.594  -5.307 -13.024
  350    HZ1  LYS  42           3HZ      LYS  42  -2.056  -5.751 -14.793
  351    HZ2  LYS  42           1HZ      LYS  42  -3.575  -6.353 -15.219
  352    HZ3  LYS  42           2HZ      LYS  42  -2.356  -7.412 -14.715
  353    H    LEU  43           H        LEU  43   0.011  -4.992  -7.369
  354    HA   LEU  43           HA       LEU  43   2.451  -6.456  -6.677
  355    HB2  LEU  43           2HB      LEU  43   0.666  -4.607  -5.038
  356    HB3  LEU  43           3HB      LEU  43   2.189  -5.280  -4.474
  357    HG   LEU  43           HG       LEU  43   1.917  -3.385  -6.839
  358   HD11  LEU  43          1HD1      LEU  43   2.872  -1.660  -5.395
  359   HD12  LEU  43          2HD1      LEU  43   2.849  -2.769  -4.023
  360   HD13  LEU  43          3HD1      LEU  43   1.334  -2.241  -4.757
  361   HD21  LEU  43          3HD2      LEU  43   4.364  -3.205  -6.712
  362   HD22  LEU  43          1HD2      LEU  43   3.863  -4.866  -7.033
  363   HD23  LEU  43          2HD2      LEU  43   4.400  -4.403  -5.415
  364    H    THR  44           H        THR  44   2.329  -7.478  -4.331
  365    HA   THR  44           HA       THR  44  -0.098  -9.175  -4.061
  366    HB   THR  44           HB       THR  44   1.198 -10.800  -2.855
  367    HG1  THR  44           HG1      THR  44   3.606 -10.170  -2.593
  368   HG21  THR  44          3HG2      THR  44   2.985  -9.804  -5.105
  369   HG22  THR  44          1HG2      THR  44   1.604 -10.886  -5.297
  370   HG23  THR  44          2HG2      THR  44   3.022 -11.419  -4.392
  371    H    GLU  45           H        GLU  45  -0.996  -9.423  -1.927
  372    HA   GLU  45           HA       GLU  45  -1.149  -7.139  -0.291
  373    HB2  GLU  45           2HB      GLU  45  -1.866 -10.029   0.315
  374    HB3  GLU  45           3HB      GLU  45  -2.218  -8.699   1.417
  375    HG2  GLU  45           2HG      GLU  45  -3.568  -7.617  -0.386
  376    HG3  GLU  45           3HG      GLU  45  -3.308  -9.044  -1.392
  377    H    THR  46           H        THR  46   1.147  -9.803  -0.178
  378    HA   THR  46           HA       THR  46   2.227  -9.338   2.413
  379    HB   THR  46           HB       THR  46   3.581 -10.527  -0.061
  380    HG1  THR  46           HG1      THR  46   2.129 -12.021   0.387
  381   HG21  THR  46          3HG2      THR  46   4.385 -10.758   2.878
  382   HG22  THR  46          1HG2      THR  46   5.266  -9.858   1.637
  383   HG23  THR  46          2HG2      THR  46   5.143 -11.611   1.532
  384    H    GLN  47           H        GLN  47   3.215  -8.201  -0.841
  385    HA   GLN  47           HA       GLN  47   5.427  -6.620  -0.062
  386    HB2  GLN  47           2HB      GLN  47   3.606  -6.320  -2.484
  387    HB3  GLN  47           3HB      GLN  47   5.179  -5.543  -2.303
  388    HG2  GLN  47           2HG      GLN  47   6.296  -7.703  -2.326
  389    HG3  GLN  47           3HG      GLN  47   4.745  -8.541  -2.362
  390   HE21  GLN  47          1HE2      GLN  47   5.607  -5.657  -4.255
  391   HE22  GLN  47          2HE2      GLN  47   5.521  -6.442  -5.785
  392    H    VAL  48           H        VAL  48   2.009  -5.766  -0.594
  393    HA   VAL  48           HA       VAL  48   2.210  -2.990  -0.048
  394    HB   VAL  48           HB       VAL  48  -0.204  -4.854   0.178
  395   HG11  VAL  48          1HG1      VAL  48  -0.166  -1.810   0.060
  396   HG12  VAL  48          2HG1      VAL  48  -0.631  -2.793   1.448
  397   HG13  VAL  48          3HG1      VAL  48  -1.613  -2.822  -0.014
  398   HG21  VAL  48          3HG2      VAL  48  -0.812  -4.008  -2.072
  399   HG22  VAL  48          1HG2      VAL  48   0.762  -4.804  -2.094
  400   HG23  VAL  48          2HG2      VAL  48   0.665  -3.043  -2.119
  401    H    LYS  49           H        LYS  49   1.601  -5.792   2.071
  402    HA   LYS  49           HA       LYS  49   1.006  -4.416   4.477
  403    HB2  LYS  49           2HB      LYS  49   0.531  -6.810   4.163
  404    HB3  LYS  49           3HB      LYS  49   2.251  -7.163   4.048
  405    HG2  LYS  49           2HG      LYS  49   2.529  -6.422   6.418
  406    HG3  LYS  49           3HG      LYS  49   0.787  -6.151   6.516
  407    HD2  LYS  49           2HD      LYS  49   1.383  -8.316   7.512
  408    HD3  LYS  49           3HD      LYS  49   0.383  -8.554   6.075
  409    HE2  LYS  49           2HE      LYS  49   2.382  -9.128   4.757
  410    HE3  LYS  49           3HE      LYS  49   3.415  -8.809   6.151
  411    HZ1  LYS  49           3HZ      LYS  49   3.063 -11.145   5.936
  412    HZ2  LYS  49           1HZ      LYS  49   1.389 -10.952   5.899
  413    HZ3  LYS  49           2HZ      LYS  49   2.242 -10.618   7.314
  414    H    ILE  50           H        ILE  50   4.080  -5.767   3.267
  415    HA   ILE  50           HA       ILE  50   5.749  -4.934   5.400
  416    HB   ILE  50           HB       ILE  50   6.458  -5.646   2.511
  417   HG12  ILE  50          2HG1      ILE  50   6.589  -7.353   5.055
  418   HG13  ILE  50          3HG1      ILE  50   5.329  -7.462   3.832
  419   HG21  ILE  50          1HG2      ILE  50   8.329  -5.422   4.911
  420   HG22  ILE  50          2HG2      ILE  50   8.295  -4.343   3.516
  421   HG23  ILE  50          3HG2      ILE  50   8.780  -6.025   3.313
  422   HD11  ILE  50          3HD1      ILE  50   6.922  -9.254   3.603
  423   HD12  ILE  50          1HD1      ILE  50   8.246  -8.103   3.429
  424   HD13  ILE  50          2HD1      ILE  50   6.989  -8.201   2.192
  425    H    TRP  51           H        TRP  51   4.909  -3.423   2.287
  426    HA   TRP  51           HA       TRP  51   6.613  -1.200   2.364
  427    HB2  TRP  51           2HB      TRP  51   5.209  -1.987   0.376
  428    HB3  TRP  51           3HB      TRP  51   3.817  -1.235   1.139
  429    HD1  TRP  51           HD1      TRP  51   7.017  -0.363  -0.783
  430    HE1  TRP  51           HE1      TRP  51   6.958   2.110  -1.460
  431    HE3  TRP  51           HE3      TRP  51   2.888   1.089   1.832
  432    HZ2  TRP  51           HZ2      TRP  51   5.363   4.386  -0.954
  433    HZ3  TRP  51           HZ3      TRP  51   2.151   3.429   1.691
  434    HH2  TRP  51           HH2      TRP  51   3.369   5.045   0.324
  435    H    PHE  52           H        PHE  52   3.129  -1.297   3.257
  436    HA   PHE  52           HA       PHE  52   2.952   1.189   4.511
  437    HB2  PHE  52           2HB      PHE  52   1.303  -1.332   4.638
  438    HB3  PHE  52           3HB      PHE  52   0.977  -0.093   5.846
  439    HD1  PHE  52           HD1      PHE  52   1.384  -0.451   2.113
  440    HD2  PHE  52           HD2      PHE  52  -0.551   1.615   5.314
  441    HE1  PHE  52           HE1      PHE  52   0.045   0.817   0.494
  442    HE2  PHE  52           HE2      PHE  52  -1.891   2.872   3.690
  443    HZ   PHE  52           HZ       PHE  52  -1.593   2.482   1.276
  444    H    GLN  53           H        GLN  53   4.086  -1.866   5.892
  445    HA   GLN  53           HA       GLN  53   4.205  -1.062   8.615
  446    HB2  GLN  53           2HB      GLN  53   4.348  -3.425   8.018
  447    HB3  GLN  53           3HB      GLN  53   5.818  -3.152   7.087
  448    HG2  GLN  53           2HG      GLN  53   7.023  -2.566   9.160
  449    HG3  GLN  53           3HG      GLN  53   5.553  -2.820  10.094
  450   HE21  GLN  53          1HE2      GLN  53   8.225  -4.135  10.188
  451   HE22  GLN  53          2HE2      GLN  53   7.895  -5.825  10.054
  452    H    ASN  54           H        ASN  54   6.746  -1.101   6.077
  453    HA   ASN  54           HA       ASN  54   8.839   0.090   7.534
  454    HB2  ASN  54           2HB      ASN  54   8.300   0.116   4.536
  455    HB3  ASN  54           3HB      ASN  54   9.805   0.673   5.262
  456   HD21  ASN  54          1HD2      ASN  54   9.322  -1.523   3.375
  457   HD22  ASN  54          2HD2      ASN  54   9.965  -2.934   4.130
  458    H    ARG  55           H        ARG  55   6.357   1.552   5.479
  459    HA   ARG  55           HA       ARG  55   7.185   4.206   5.528
  460    HB2  ARG  55           2HB      ARG  55   4.632   2.782   4.928
  461    HB3  ARG  55           3HB      ARG  55   4.475   4.489   5.289
  462    HG2  ARG  55           2HG      ARG  55   4.637   4.051   2.890
  463    HG3  ARG  55           3HG      ARG  55   5.931   5.091   3.473
  464    HD2  ARG  55           2HD      ARG  55   6.501   2.150   3.297
  465    HD3  ARG  55           3HD      ARG  55   6.371   3.048   1.793
  466    HE   ARG  55           HE       ARG  55   8.113   4.440   3.470
  467   HH11  ARG  55          1HH1      ARG  55   8.015   1.359   1.873
  468   HH12  ARG  55          2HH1      ARG  55   9.710   1.375   1.540
  469   HH21  ARG  55          1HH2      ARG  55  10.276   4.429   2.977
  470   HH22  ARG  55          2HH2      ARG  55  10.958   3.072   2.145
  471    H    ARG  56           H        ARG  56   4.854   2.597   7.760
  472    HA   ARG  56           HA       ARG  56   4.399   4.923   9.359
  473    HB2  ARG  56           2HB      ARG  56   3.935   1.980   9.954
  474    HB3  ARG  56           3HB      ARG  56   3.387   3.293  10.994
  475    HG2  ARG  56           2HG      ARG  56   1.978   4.166   9.165
  476    HG3  ARG  56           3HG      ARG  56   2.526   2.856   8.115
  477    HD2  ARG  56           2HD      ARG  56   0.918   2.576  10.670
  478    HD3  ARG  56           3HD      ARG  56   0.328   2.336   9.022
  479    HE   ARG  56           HE       ARG  56   2.361   0.619  10.328
  480   HH11  ARG  56          1HH1      ARG  56  -0.332   0.925   8.184
  481   HH12  ARG  56          2HH1      ARG  56  -0.406  -0.770   7.884
  482   HH21  ARG  56          1HH2      ARG  56   2.234  -1.530   9.926
  483   HH22  ARG  56          2HH2      ARG  56   1.020  -2.143   8.863
  484    H    TYR  57           H        TYR  57   6.787   2.370   9.444
  485    HA   TYR  57           HA       TYR  57   8.025   2.958  11.946
  486    HB2  TYR  57           2HB      TYR  57   8.315   0.824  10.704
  487    HB3  TYR  57           3HB      TYR  57   9.138   1.675   9.408
  488    HD1  TYR  57           HD1      TYR  57   9.435   1.022  13.109
  489    HD2  TYR  57           HD2      TYR  57  11.513   1.715   9.430
  490    HE1  TYR  57           HE1      TYR  57  11.573   0.577  14.230
  491    HE2  TYR  57           HE2      TYR  57  13.649   1.275  10.559
  492    HH   TYR  57           HH       TYR  57  13.858  -0.110  13.670
  493    H    LYS  58           H        LYS  58   8.314   4.294   8.698
  494    HA   LYS  58           HA       LYS  58  10.696   5.910   9.333
  495    HB2  LYS  58           2HB      LYS  58   9.170   5.491   6.736
  496    HB3  LYS  58           3HB      LYS  58  10.578   6.540   6.897
  497    HG2  LYS  58           2HG      LYS  58  11.980   4.628   7.500
  498    HG3  LYS  58           3HG      LYS  58  10.578   3.556   7.456
  499    HD2  LYS  58           2HD      LYS  58  10.315   4.017   5.028
  500    HD3  LYS  58           3HD      LYS  58  11.737   5.066   5.080
  501    HE2  LYS  58           2HE      LYS  58  11.711   2.090   5.699
  502    HE3  LYS  58           3HE      LYS  58  12.290   2.822   4.203
  503    HZ1  LYS  58           3HZ      LYS  58  14.110   2.297   5.695
  504    HZ2  LYS  58           1HZ      LYS  58  13.443   3.267   6.906
  505    HZ3  LYS  58           2HZ      LYS  58  13.999   3.967   5.473
  506    H    THR  59           H        THR  59   7.253   6.286   9.323
  507    HA   THR  59           HA       THR  59   7.367   9.201   8.979
  508    HB   THR  59           HB       THR  59   4.861   9.156   9.306
  509    HG1  THR  59           HG1      THR  59   5.031   6.955  10.411
  510   HG21  THR  59          3HG2      THR  59   5.916   7.380   7.075
  511   HG22  THR  59          1HG2      THR  59   5.816   9.144   7.037
  512   HG23  THR  59          2HG2      THR  59   4.344   8.177   7.101
  513    H    LYS  60           H        LYS  60   8.520   9.844  10.752
  514    HA   LYS  60           HA       LYS  60   7.536   9.344  13.469
  515    HB2  LYS  60           2HB      LYS  60  10.001   9.350  12.807
  516    HB3  LYS  60           3HB      LYS  60   9.876  11.079  12.550
  517    HG2  LYS  60           2HG      LYS  60   9.091   9.983  15.242
  518    HG3  LYS  60           3HG      LYS  60  10.800  10.030  14.836
  519    HD2  LYS  60           2HD      LYS  60   8.927  12.431  14.876
  520    HD3  LYS  60           3HD      LYS  60  10.100  12.021  16.128
  521    HE2  LYS  60           2HE      LYS  60  11.917  12.245  14.395
  522    HE3  LYS  60           3HE      LYS  60  10.701  12.838  13.264
  523    HZ1  LYS  60           3HZ      LYS  60  11.455  14.099  15.843
  524    HZ2  LYS  60           1HZ      LYS  60  10.264  14.674  14.786
  525    HZ3  LYS  60           2HZ      LYS  60  11.884  14.645  14.301
  526    H    ARG  61           H        ARG  61   6.814  11.081  14.847
  527    HA   ARG  61           HA       ARG  61   4.950  12.799  13.592
  528    HB2  ARG  61           2HB      ARG  61   5.879  12.657  16.481
  529    HB3  ARG  61           3HB      ARG  61   4.549  13.679  15.935
  530    HG2  ARG  61           2HG      ARG  61   3.345  11.660  15.136
  531    HG3  ARG  61           3HG      ARG  61   4.656  10.648  15.753
  532    HD2  ARG  61           2HD      ARG  61   2.745  10.716  17.321
  533    HD3  ARG  61           3HD      ARG  61   4.197  11.414  18.038
  534    HE   ARG  61           HE       ARG  61   3.166  13.456  18.138
  535   HH11  ARG  61          1HH1      ARG  61   1.242  11.509  15.992
  536   HH12  ARG  61          2HH1      ARG  61  -0.106  12.581  16.093
  537   HH21  ARG  61          1HH2      ARG  61   1.420  14.774  18.228
  538   HH22  ARG  61          2HH2      ARG  61  -0.006  14.396  17.329
  539    H    LYS  62           H        LYS  62   4.663  15.087  13.929
  540    HA   LYS  62           HA       LYS  62   5.169  17.255  13.601
  541    HB2  LYS  62           2HB      LYS  62   7.728  16.584  15.111
  542    HB3  LYS  62           3HB      LYS  62   7.192  18.219  14.750
  543    HG2  LYS  62           2HG      LYS  62   5.734  16.216  16.511
  544    HG3  LYS  62           3HG      LYS  62   6.691  17.585  17.080
  545    HD2  LYS  62           2HD      LYS  62   4.147  17.778  15.411
  546    HD3  LYS  62           3HD      LYS  62   4.253  18.056  17.148
  547    HE2  LYS  62           2HE      LYS  62   5.653  20.020  16.797
  548    HE3  LYS  62           3HE      LYS  62   5.742  19.700  15.064
  549    HZ1  LYS  62           3HZ      LYS  62   3.271  20.389  16.567
  550    HZ2  LYS  62           1HZ      LYS  62   3.360  20.069  14.911
  551    HZ3  LYS  62           2HZ      LYS  62   4.135  21.426  15.549
  552    H    GLN  63           H        GLN  63   5.914  15.276  11.573
  553    HA   GLN  63           HA       GLN  63   7.970  16.804  10.049
  554    HB2  GLN  63           2HB      GLN  63   7.189  13.869   9.812
  555    HB3  GLN  63           3HB      GLN  63   8.316  14.687   8.736
  556    HG2  GLN  63           2HG      GLN  63   8.720  14.282  11.720
  557    HG3  GLN  63           3HG      GLN  63   9.449  13.305  10.448
  558   HE21  GLN  63          1HE2      GLN  63   9.530  16.398  12.070
  559   HE22  GLN  63          2HE2      GLN  63  11.036  16.916  11.410
  560    H    LEU  64           H        LEU  64   7.600  16.345   7.548
  561    HA   LEU  64           HA       LEU  64   5.052  17.616   6.941
  562    HB2  LEU  64           2HB      LEU  64   7.538  17.096   5.273
  563    HB3  LEU  64           3HB      LEU  64   6.090  17.819   4.599
  564    HG   LEU  64           HG       LEU  64   7.625  19.607   5.051
  565   HD11  LEU  64          1HD1      LEU  64   5.542  19.635   7.255
  566   HD12  LEU  64          2HD1      LEU  64   5.293  20.131   5.580
  567   HD13  LEU  64          3HD1      LEU  64   6.398  21.037   6.607
  568   HD21  LEU  64          3HD2      LEU  64   9.121  18.475   6.642
  569   HD22  LEU  64          1HD2      LEU  64   7.900  18.615   7.910
  570   HD23  LEU  64          2HD2      LEU  64   8.647  20.066   7.233
  571    H    SER  65           H        SER  65   5.355  14.552   7.474
  572    HA   SER  65           HA       SER  65   4.056  13.468   5.072
  573    HB2  SER  65           2HB      SER  65   5.660  12.033   6.305
  574    HB3  SER  65           3HB      SER  65   4.658  12.138   7.749
  575    HG   SER  65           HG       SER  65   4.480  10.387   5.798
  576    H    SER  66           H        SER  66   2.054  12.053   5.593
  577    HA   SER  66           HA       SER  66  -0.044  13.926   6.376
  578    HB2  SER  66           2HB      SER  66  -1.524  12.248   5.281
  579    HB3  SER  66           3HB      SER  66  -0.167  12.694   4.239
  580    HG   SER  66           HG       SER  66   0.563  10.712   4.359
  581    H    GLU  67           H        GLU  67   1.305  13.069   8.690
  582    HA   GLU  67           HA       GLU  67   0.382  10.724   9.958
  583    HB2  GLU  67           2HB      GLU  67   1.358  11.698  12.013
  584    HB3  GLU  67           3HB      GLU  67   2.438  11.887  10.635
  585    HG2  GLU  67           2HG      GLU  67   1.690  14.240  10.384
  586    HG3  GLU  67           3HG      GLU  67   0.647  14.051  11.791
  587    H    LEU  68           H        LEU  68  -0.831  10.714  12.105
  588    HA   LEU  68           HA       LEU  68  -2.993  12.687  12.337
  589    HB2  LEU  68           2HB      LEU  68  -3.506  10.392  10.889
  590    HB3  LEU  68           3HB      LEU  68  -3.957   9.846  12.488
  591    HG   LEU  68           HG       LEU  68  -5.169  12.179  10.945
  592   HD11  LEU  68          1HD1      LEU  68  -6.419   9.558  11.802
  593   HD12  LEU  68          2HD1      LEU  68  -5.918   9.994  10.166
  594   HD13  LEU  68          3HD1      LEU  68  -7.228  10.874  10.944
  595   HD21  LEU  68          3HD2      LEU  68  -6.752  12.499  12.793
  596   HD22  LEU  68          1HD2      LEU  68  -5.095  12.796  13.315
  597   HD23  LEU  68          2HD2      LEU  68  -5.900  11.288  13.754
  598    H    GLY  69           H        GLY  69  -1.781   9.578  13.684
  599    HA2  GLY  69           2HA      GLY  69  -0.742  10.084  16.028
  600    HA3  GLY  69           3HA      GLY  69  -2.406  10.472  16.431
  Start of MODEL    5
    1    H1   MET   1           1H       MET   1   9.844 -27.873   9.662
    2    H2   MET   1           2H       MET   1  10.081 -27.425  11.271
    3    H3   MET   1           3H       MET   1  10.710 -28.886  10.706
    4    HA   MET   1           HA       MET   1  12.428 -27.213  10.948
    5    HB2  MET   1           2HB      MET   1  11.838 -27.910   8.037
    6    HB3  MET   1           3HB      MET   1  13.398 -27.379   8.655
    7    HG2  MET   1           2HG      MET   1  13.459 -29.762   8.357
    8    HG3  MET   1           3HG      MET   1  13.477 -29.418  10.088
    9    HE1  MET   1           3HE      MET   1  12.814 -32.342   8.929
   10    HE2  MET   1           1HE      MET   1  11.417 -32.785   9.908
   11    HE3  MET   1           2HE      MET   1  12.792 -31.972  10.656
   12    H    GLY   2           H        GLY   2  13.252 -25.141  10.483
   13    HA2  GLY   2           2HA      GLY   2  11.300 -23.060  10.120
   14    HA3  GLY   2           3HA      GLY   2  13.023 -22.856  10.369
   15    H    HIS   3           H        HIS   3  10.486 -23.168   7.995
   16    HA   HIS   3           HA       HIS   3  12.363 -22.562   5.769
   17    HB2  HIS   3           2HB      HIS   3  10.635 -23.481   4.256
   18    HB3  HIS   3           3HB      HIS   3  11.114 -24.663   5.464
   19    HD1  HIS   3           HD1      HIS   3   8.228 -22.439   4.517
   20    HD2  HIS   3           HD2      HIS   3   9.058 -25.574   7.111
   21    HE1  HIS   3           HE1      HIS   3   6.014 -23.132   5.463
   22    HE2  HIS   3           HE2      HIS   3   6.560 -24.931   7.129
   23    H    HIS   4           H        HIS   4  10.964 -20.644   7.765
   24    HA   HIS   4           HA       HIS   4   9.081 -19.090   6.279
   25    HB2  HIS   4           2HB      HIS   4  10.819 -18.275   8.638
   26    HB3  HIS   4           3HB      HIS   4   9.490 -17.314   7.997
   27    HD1  HIS   4           HD1      HIS   4  10.109 -19.300  10.764
   28    HD2  HIS   4           HD2      HIS   4   7.002 -19.245   8.002
   29    HE1  HIS   4           HE1      HIS   4   8.159 -20.356  11.915
   30    HE2  HIS   4           HE2      HIS   4   6.328 -20.407  10.206
   31    H    HIS   5           H        HIS   5   9.381 -17.566   4.746
   32    HA   HIS   5           HA       HIS   5  11.798 -15.958   4.618
   33    HB2  HIS   5           2HB      HIS   5  12.137 -16.397   2.153
   34    HB3  HIS   5           3HB      HIS   5  12.514 -17.760   3.193
   35    HD1  HIS   5           HD1      HIS   5  10.816 -19.794   3.122
   36    HD2  HIS   5           HD2      HIS   5  10.213 -16.895   0.213
   37    HE1  HIS   5           HE1      HIS   5   9.352 -20.862   1.404
   38    HE2  HIS   5           HE2      HIS   5   8.966 -19.090  -0.328
   39    H    HIS   6           H        HIS   6  11.093 -13.924   4.549
   40    HA   HIS   6           HA       HIS   6   8.431 -13.189   3.623
   41    HB2  HIS   6           2HB      HIS   6  10.697 -11.466   4.721
   42    HB3  HIS   6           3HB      HIS   6   9.057 -10.901   4.404
   43    HD1  HIS   6           HD1      HIS   6   7.207 -11.671   6.067
   44    HD2  HIS   6           HD2      HIS   6  11.024 -12.941   7.082
   45    HE1  HIS   6           HE1      HIS   6   7.044 -12.460   8.440
   46    HE2  HIS   6           HE2      HIS   6   9.354 -13.265   9.013
   47    H    HIS   7           H        HIS   7   7.918 -12.186   1.705
   48    HA   HIS   7           HA       HIS   7   9.696 -12.490  -0.475
   49    HB2  HIS   7           2HB      HIS   7   7.147 -12.630  -0.561
   50    HB3  HIS   7           3HB      HIS   7   7.113 -10.872  -0.545
   51    HD1  HIS   7           HD1      HIS   7   7.542 -13.755  -2.776
   52    HD2  HIS   7           HD2      HIS   7   8.307  -9.675  -2.947
   53    HE1  HIS   7           HE1      HIS   7   7.930 -13.247  -5.189
   54    HE2  HIS   7           HE2      HIS   7   8.217 -10.759  -5.287
   55    H    HIS   8           H        HIS   8  11.273 -11.204  -1.118
   56    HA   HIS   8           HA       HIS   8  11.582  -8.449  -0.214
   57    HB2  HIS   8           2HB      HIS   8  13.353 -10.002  -2.158
   58    HB3  HIS   8           3HB      HIS   8  13.774  -8.545  -1.262
   59    HD1  HIS   8           HD1      HIS   8  14.660  -8.877   1.127
   60    HD2  HIS   8           HD2      HIS   8  13.298 -12.394  -0.605
   61    HE1  HIS   8           HE1      HIS   8  15.457 -10.718   2.621
   62    HE2  HIS   8           HE2      HIS   8  14.773 -12.825   1.451
   63    H    SER   9           H        SER   9  10.783  -6.739  -1.346
   64    HA   SER   9           HA       SER   9  10.654  -6.790  -4.276
   65    HB2  SER   9           2HB      SER   9   8.441  -7.659  -3.564
   66    HB3  SER   9           3HB      SER   9   8.182  -6.197  -2.611
   67    HG   SER   9           HG       SER   9   8.249  -6.528  -5.400
   68    H    HIS  10           H        HIS  10  10.743  -4.804  -5.248
   69    HA   HIS  10           HA       HIS  10  11.046  -2.407  -3.517
   70    HB2  HIS  10           2HB      HIS  10  12.687  -3.130  -5.988
   71    HB3  HIS  10           3HB      HIS  10  12.833  -1.634  -5.066
   72    HD1  HIS  10           HD1      HIS  10  13.929  -1.817  -2.685
   73    HD2  HIS  10           HD2      HIS  10  13.993  -5.353  -4.868
   74    HE1  HIS  10           HE1      HIS  10  15.545  -3.318  -1.495
   75    HE2  HIS  10           HE2      HIS  10  15.579  -5.433  -2.837
   76    H    MET  11           H        MET  11   9.113  -1.469  -3.871
   77    HA   MET  11           HA       MET  11   7.505  -1.601  -6.147
   78    HB2  MET  11           2HB      MET  11   7.498   0.415  -3.865
   79    HB3  MET  11           3HB      MET  11   6.235   0.330  -5.091
   80    HG2  MET  11           2HG      MET  11   5.552  -0.820  -3.043
   81    HG3  MET  11           3HG      MET  11   5.673  -1.947  -4.397
   82    HE1  MET  11           3HE      MET  11   5.650  -2.702  -1.163
   83    HE2  MET  11           1HE      MET  11   6.806  -4.032  -1.199
   84    HE3  MET  11           2HE      MET  11   5.586  -3.892  -2.465
   85    H    SER  12           H        SER  12   6.971  -0.149  -7.772
   86    HA   SER  12           HA       SER  12   9.221   1.302  -8.917
   87    HB2  SER  12           2HB      SER  12   7.787  -0.119 -10.339
   88    HB3  SER  12           3HB      SER  12   6.389   0.883  -9.960
   89    HG   SER  12           HG       SER  12   7.056   1.718 -11.816
   90    H    HIS  13           H        HIS  13   8.949   3.550  -9.826
   91    HA   HIS  13           HA       HIS  13   8.516   5.395  -7.781
   92    HB2  HIS  13           2HB      HIS  13  10.007   5.740  -9.771
   93    HB3  HIS  13           3HB      HIS  13   8.588   6.000 -10.772
   94    HD1  HIS  13           HD1      HIS  13  10.962   7.753  -8.615
   95    HD2  HIS  13           HD2      HIS  13   7.126   8.462 -10.043
   96    HE1  HIS  13           HE1      HIS  13  10.567  10.201  -8.301
   97    HE2  HIS  13           HE2      HIS  13   8.175  10.559  -8.977
   98    H    THR  14           H        THR  14   6.487   5.001 -10.725
   99    HA   THR  14           HA       THR  14   4.468   6.859 -10.020
  100    HB   THR  14           HB       THR  14   4.307   4.492 -11.944
  101    HG1  THR  14           HG1      THR  14   5.739   5.692 -12.950
  102   HG21  THR  14          3HG2      THR  14   2.605   7.020 -11.840
  103   HG22  THR  14          1HG2      THR  14   2.052   5.384 -11.454
  104   HG23  THR  14          2HG2      THR  14   2.540   5.785 -13.099
  105    H    GLN  15           H        GLN  15   4.789   3.410  -9.462
  106    HA   GLN  15           HA       GLN  15   2.246   2.817  -8.376
  107    HB2  GLN  15           2HB      GLN  15   3.741   1.098  -9.176
  108    HB3  GLN  15           3HB      GLN  15   4.990   1.569  -8.027
  109    HG2  GLN  15           2HG      GLN  15   3.628   0.761  -6.165
  110    HG3  GLN  15           3HG      GLN  15   2.307   0.368  -7.271
  111   HE21  GLN  15          1HE2      GLN  15   2.538  -1.407  -8.650
  112   HE22  GLN  15          2HE2      GLN  15   3.739  -2.615  -8.379
  113    H    VAL  16           H        VAL  16   5.305   3.803  -6.820
  114    HA   VAL  16           HA       VAL  16   4.481   3.755  -4.139
  115    HB   VAL  16           HB       VAL  16   6.690   5.343  -5.530
  116   HG11  VAL  16          1HG1      VAL  16   7.624   5.911  -3.289
  117   HG12  VAL  16          2HG1      VAL  16   6.177   5.247  -2.522
  118   HG13  VAL  16          3HG1      VAL  16   6.053   6.670  -3.554
  119   HG21  VAL  16          3HG2      VAL  16   6.802   2.944  -3.643
  120   HG22  VAL  16          1HG2      VAL  16   8.192   3.723  -4.407
  121   HG23  VAL  16          2HG2      VAL  16   6.997   2.886  -5.394
  122    H    ILE  17           H        ILE  17   4.216   6.331  -6.618
  123    HA   ILE  17           HA       ILE  17   3.193   8.429  -5.077
  124    HB   ILE  17           HB       ILE  17   2.355   7.656  -7.915
  125   HG12  ILE  17          2HG1      ILE  17   4.518   9.623  -7.003
  126   HG13  ILE  17          3HG1      ILE  17   4.813   8.021  -7.667
  127   HG21  ILE  17          1HG2      ILE  17   0.738   9.232  -6.940
  128   HG22  ILE  17          2HG2      ILE  17   1.678  10.029  -8.198
  129   HG23  ILE  17          3HG2      ILE  17   2.042  10.337  -6.497
  130   HD11  ILE  17          3HD1      ILE  17   5.206   9.740  -9.322
  131   HD12  ILE  17          1HD1      ILE  17   3.556  10.336  -9.137
  132   HD13  ILE  17          2HD1      ILE  17   3.845   8.727  -9.804
  133    H    GLU  18           H        GLU  18   1.397   5.722  -6.598
  134    HA   GLU  18           HA       GLU  18  -1.207   6.426  -5.708
  135    HB2  GLU  18           2HB      GLU  18  -0.026   3.733  -6.517
  136    HB3  GLU  18           3HB      GLU  18  -1.745   3.996  -6.226
  137    HG2  GLU  18           2HG      GLU  18  -0.071   5.338  -8.372
  138    HG3  GLU  18           3HG      GLU  18  -1.225   4.026  -8.616
  139    H    LEU  19           H        LEU  19   1.232   4.247  -4.341
  140    HA   LEU  19           HA       LEU  19  -0.189   3.316  -2.082
  141    HB2  LEU  19           2HB      LEU  19   2.778   3.652  -2.649
  142    HB3  LEU  19           3HB      LEU  19   2.174   2.853  -1.211
  143    HG   LEU  19           HG       LEU  19   1.505   1.859  -4.004
  144   HD11  LEU  19          1HD1      LEU  19   3.288   0.189  -3.762
  145   HD12  LEU  19          2HD1      LEU  19   3.821   0.958  -2.264
  146   HD13  LEU  19          3HD1      LEU  19   3.937   1.828  -3.796
  147   HD21  LEU  19          3HD2      LEU  19   0.022   1.071  -2.206
  148   HD22  LEU  19          1HD2      LEU  19   1.414   0.470  -1.301
  149   HD23  LEU  19          2HD2      LEU  19   0.988  -0.247  -2.859
  150    H    GLU  20           H        GLU  20   1.828   6.230  -2.568
  151    HA   GLU  20           HA       GLU  20   1.896   7.215   0.072
  152    HB2  GLU  20           2HB      GLU  20   2.197   8.546  -2.646
  153    HB3  GLU  20           3HB      GLU  20   2.358   9.455  -1.152
  154    HG2  GLU  20           2HG      GLU  20   4.095   7.065  -1.830
  155    HG3  GLU  20           3HG      GLU  20   4.512   8.716  -2.278
  156    H    ARG  21           H        ARG  21  -0.304   7.856  -2.676
  157    HA   ARG  21           HA       ARG  21  -2.018   9.761  -1.554
  158    HB2  ARG  21           2HB      ARG  21  -2.669   7.520  -3.515
  159    HB3  ARG  21           3HB      ARG  21  -3.753   8.862  -3.158
  160    HG2  ARG  21           2HG      ARG  21  -2.191  10.457  -4.112
  161    HG3  ARG  21           3HG      ARG  21  -0.976   9.197  -4.332
  162    HD2  ARG  21           2HD      ARG  21  -2.071   9.710  -6.459
  163    HD3  ARG  21           3HD      ARG  21  -2.441   8.056  -5.959
  164    HE   ARG  21           HE       ARG  21  -4.470   9.824  -5.073
  165   HH11  ARG  21          1HH1      ARG  21  -3.379   8.262  -7.976
  166   HH12  ARG  21          2HH1      ARG  21  -4.925   8.394  -8.736
  167   HH21  ARG  21          1HH2      ARG  21  -6.421   9.958  -6.084
  168   HH22  ARG  21          2HH2      ARG  21  -6.617   9.339  -7.684
  169    H    LYS  22           H        LYS  22  -2.219   6.212  -1.442
  170    HA   LYS  22           HA       LYS  22  -4.605   6.022   0.078
  171    HB2  LYS  22           2HB      LYS  22  -3.684   4.215  -1.380
  172    HB3  LYS  22           3HB      LYS  22  -2.363   3.982  -0.243
  173    HG2  LYS  22           2HG      LYS  22  -4.024   2.249   0.074
  174    HG3  LYS  22           3HG      LYS  22  -3.994   3.293   1.493
  175    HD2  LYS  22           2HD      LYS  22  -6.047   4.421   0.762
  176    HD3  LYS  22           3HD      LYS  22  -6.049   3.511  -0.752
  177    HE2  LYS  22           2HE      LYS  22  -6.462   1.431   0.452
  178    HE3  LYS  22           3HE      LYS  22  -6.301   2.255   2.003
  179    HZ1  LYS  22           3HZ      LYS  22  -8.425   2.729  -0.007
  180    HZ2  LYS  22           1HZ      LYS  22  -8.254   3.568   1.450
  181    HZ3  LYS  22           2HZ      LYS  22  -8.601   1.917   1.465
  182    H    PHE  23           H        PHE  23  -1.164   5.965   1.002
  183    HA   PHE  23           HA       PHE  23  -1.478   5.464   3.769
  184    HB2  PHE  23           2HB      PHE  23   0.652   5.209   2.394
  185    HB3  PHE  23           3HB      PHE  23   0.834   6.957   2.456
  186    HD1  PHE  23           HD2      PHE  23   0.635   3.910   4.603
  187    HD2  PHE  23           HD1      PHE  23   1.901   7.973   4.370
  188    HE1  PHE  23           HE2      PHE  23   1.815   3.653   6.726
  189    HE2  PHE  23           HE1      PHE  23   3.088   7.715   6.498
  190    HZ   PHE  23           HZ       PHE  23   3.051   5.558   7.683
  191    H    SER  24           H        SER  24  -1.341   8.513   1.939
  192    HA   SER  24           HA       SER  24  -1.351  10.327   4.082
  193    HB2  SER  24           2HB      SER  24  -2.372  10.677   1.239
  194    HB3  SER  24           3HB      SER  24  -2.142  12.001   2.386
  195    HG   SER  24           HG       SER  24  -0.329  10.757   0.829
  196    H    HIS  25           H        HIS  25  -4.098   8.686   2.446
  197    HA   HIS  25           HA       HIS  25  -6.081  10.182   3.966
  198    HB2  HIS  25           2HB      HIS  25  -6.286   7.829   2.051
  199    HB3  HIS  25           3HB      HIS  25  -7.682   8.485   2.902
  200    HD1  HIS  25           HD1      HIS  25  -8.990   9.833   1.266
  201    HD2  HIS  25           HD2      HIS  25  -4.907  10.380   0.770
  202    HE1  HIS  25           HE1      HIS  25  -8.749  11.493  -0.591
  203    HE2  HIS  25           HE2      HIS  25  -6.276  11.712  -0.945
  204    H    GLN  26           H        GLN  26  -4.427   7.076   4.220
  205    HA   GLN  26           HA       GLN  26  -5.293   6.738   6.963
  206    HB2  GLN  26           2HB      GLN  26  -6.311   4.514   6.666
  207    HB3  GLN  26           3HB      GLN  26  -7.205   5.747   5.785
  208    HG2  GLN  26           2HG      GLN  26  -6.095   5.015   3.678
  209    HG3  GLN  26           3HG      GLN  26  -5.269   3.740   4.581
  210   HE21  GLN  26          1HE2      GLN  26  -6.483   1.996   5.343
  211   HE22  GLN  26          2HE2      GLN  26  -8.064   1.651   4.752
  212    H    LYS  27           H        LYS  27  -3.785   5.679   8.134
  213    HA   LYS  27           HA       LYS  27  -1.263   4.976   6.914
  214    HB2  LYS  27           2HB      LYS  27  -2.171   4.750   9.818
  215    HB3  LYS  27           3HB      LYS  27  -0.509   4.599   9.249
  216    HG2  LYS  27           2HG      LYS  27  -2.230   7.105   9.135
  217    HG3  LYS  27           3HG      LYS  27  -0.870   6.808  10.226
  218    HD2  LYS  27           2HD      LYS  27   0.629   6.645   8.217
  219    HD3  LYS  27           3HD      LYS  27  -0.741   7.082   7.197
  220    HE2  LYS  27           2HE      LYS  27   0.509   8.804   9.359
  221    HE3  LYS  27           3HE      LYS  27   0.683   9.028   7.619
  222    HZ1  LYS  27           3HZ      LYS  27  -1.733   9.377   7.512
  223    HZ2  LYS  27           1HZ      LYS  27  -0.942  10.528   8.465
  224    HZ3  LYS  27           2HZ      LYS  27  -1.811   9.279   9.197
  225    H    TYR  28           H        TYR  28  -3.801   3.232   8.681
  226    HA   TYR  28           HA       TYR  28  -2.544   0.615   8.160
  227    HB2  TYR  28           2HB      TYR  28  -4.937   1.296   9.921
  228    HB3  TYR  28           3HB      TYR  28  -4.121  -0.266   9.836
  229    HD1  TYR  28           HD1      TYR  28  -3.913   3.201  11.117
  230    HD2  TYR  28           HD2      TYR  28  -1.929  -0.585  10.953
  231    HE1  TYR  28           HE1      TYR  28  -2.412   3.916  12.908
  232    HE2  TYR  28           HE2      TYR  28  -0.416   0.137  12.754
  233    HH   TYR  28           HH       TYR  28  -0.982   2.982  14.591
  234    H    LEU  29           H        LEU  29  -3.424  -0.837   6.757
  235    HA   LEU  29           HA       LEU  29  -5.911  -0.153   5.313
  236    HB2  LEU  29           2HB      LEU  29  -3.849  -2.300   4.703
  237    HB3  LEU  29           3HB      LEU  29  -5.208  -1.857   3.680
  238    HG   LEU  29           HG       LEU  29  -2.721  -0.215   4.270
  239   HD11  LEU  29          1HD1      LEU  29  -2.453  -1.967   2.588
  240   HD12  LEU  29          2HD1      LEU  29  -2.334  -0.361   1.876
  241   HD13  LEU  29          3HD1      LEU  29  -3.810  -1.308   1.668
  242   HD21  LEU  29          3HD2      LEU  29  -5.209   0.674   2.776
  243   HD22  LEU  29          1HD2      LEU  29  -3.672   1.544   2.810
  244   HD23  LEU  29          2HD2      LEU  29  -4.598   1.337   4.294
  245    H    SER  30           H        SER  30  -7.618  -1.622   5.081
  246    HA   SER  30           HA       SER  30  -7.796  -3.926   6.899
  247    HB2  SER  30           2HB      SER  30  -9.787  -2.939   4.806
  248    HB3  SER  30           3HB      SER  30 -10.101  -4.152   6.054
  249    HG   SER  30           HG       SER  30  -9.754  -1.367   6.299
  250    H    ALA  31           H        ALA  31  -8.456  -6.063   5.929
  251    HA   ALA  31           HA       ALA  31  -6.622  -7.019   4.048
  252    HB1  ALA  31           3HB      ALA  31  -7.675  -8.446   5.750
  253    HB2  ALA  31           1HB      ALA  31  -7.846  -9.139   4.142
  254    HB3  ALA  31           2HB      ALA  31  -9.220  -8.331   4.905
  255    HA   PRO  32           HA       PRO  32 -10.202  -6.908   0.597
  256    HB2  PRO  32           2HB      PRO  32 -11.846  -4.604   1.643
  257    HB3  PRO  32           3HB      PRO  32 -12.372  -6.082   0.809
  258    HG2  PRO  32           2HG      PRO  32 -12.786  -5.833   3.416
  259    HG3  PRO  32           3HG      PRO  32 -12.250  -7.389   2.736
  260    HD2  PRO  32           2HD      PRO  32 -10.606  -5.308   4.176
  261    HD3  PRO  32           3HD      PRO  32 -10.601  -7.075   4.360
  262    H    GLU  33           H        GLU  33  -9.407  -3.829   2.262
  263    HA   GLU  33           HA       GLU  33  -9.138  -2.189  -0.035
  264    HB2  GLU  33           2HB      GLU  33  -7.834  -1.875   2.705
  265    HB3  GLU  33           3HB      GLU  33  -7.897  -0.621   1.463
  266    HG2  GLU  33           2HG      GLU  33 -10.392  -0.665   1.609
  267    HG3  GLU  33           3HG      GLU  33 -10.260  -1.831   2.929
  268    H    ARG  34           H        ARG  34  -6.761  -4.075   1.799
  269    HA   ARG  34           HA       ARG  34  -4.438  -3.191   0.424
  270    HB2  ARG  34           2HB      ARG  34  -4.325  -4.162   2.664
  271    HB3  ARG  34           3HB      ARG  34  -4.932  -5.705   2.062
  272    HG2  ARG  34           2HG      ARG  34  -2.897  -6.074   0.776
  273    HG3  ARG  34           3HG      ARG  34  -2.312  -4.452   1.159
  274    HD2  ARG  34           2HD      ARG  34  -2.724  -6.728   3.115
  275    HD3  ARG  34           3HD      ARG  34  -1.177  -6.104   2.529
  276    HE   ARG  34           HE       ARG  34  -1.951  -3.916   3.598
  277   HH11  ARG  34          1HH1      ARG  34  -2.756  -7.026   4.905
  278   HH12  ARG  34          2HH1      ARG  34  -2.944  -6.407   6.510
  279   HH21  ARG  34          1HH2      ARG  34  -2.218  -3.172   5.640
  280   HH22  ARG  34          2HH2      ARG  34  -2.630  -4.259   6.921
  281    H    ALA  35           H        ALA  35  -6.552  -6.032   0.016
  282    HA   ALA  35           HA       ALA  35  -5.158  -7.307  -2.081
  283    HB1  ALA  35           3HB      ALA  35  -8.128  -7.378  -1.451
  284    HB2  ALA  35           1HB      ALA  35  -6.894  -8.419  -0.739
  285    HB3  ALA  35           2HB      ALA  35  -7.259  -8.537  -2.462
  286    H    HIS  36           H        HIS  36  -7.764  -4.882  -2.130
  287    HA   HIS  36           HA       HIS  36  -8.144  -4.677  -4.924
  288    HB2  HIS  36           2HB      HIS  36  -9.762  -3.796  -3.291
  289    HB3  HIS  36           3HB      HIS  36  -8.590  -2.616  -2.717
  290    HD1  HIS  36           HD1      HIS  36 -10.664  -3.402  -5.792
  291    HD2  HIS  36           HD2      HIS  36  -8.570  -0.237  -4.112
  292    HE1  HIS  36           HE1      HIS  36 -11.210  -1.409  -7.204
  293    HE2  HIS  36           HE2      HIS  36 -10.139   0.516  -6.005
  294    H    LEU  37           H        LEU  37  -6.107  -2.761  -2.706
  295    HA   LEU  37           HA       LEU  37  -4.964  -0.990  -4.603
  296    HB2  LEU  37           2HB      LEU  37  -5.034  -0.655  -2.121
  297    HB3  LEU  37           3HB      LEU  37  -3.859  -1.944  -1.931
  298    HG   LEU  37           HG       LEU  37  -2.176  -0.558  -3.172
  299   HD11  LEU  37          1HD1      LEU  37  -3.667   0.810  -4.535
  300   HD12  LEU  37          2HD1      LEU  37  -2.587   1.826  -3.588
  301   HD13  LEU  37          3HD1      LEU  37  -4.273   1.633  -3.096
  302   HD21  LEU  37          3HD2      LEU  37  -3.389   0.787  -0.738
  303   HD22  LEU  37          1HD2      LEU  37  -1.758   1.054  -1.363
  304   HD23  LEU  37          2HD2      LEU  37  -2.211  -0.526  -0.737
  305    H    ALA  38           H        ALA  38  -3.985  -4.155  -3.378
  306    HA   ALA  38           HA       ALA  38  -1.424  -4.392  -4.500
  307    HB1  ALA  38           3HB      ALA  38  -2.249  -5.890  -2.742
  308    HB2  ALA  38           1HB      ALA  38  -1.672  -6.817  -4.129
  309    HB3  ALA  38           2HB      ALA  38  -3.406  -6.602  -3.866
  310    H    LYS  39           H        LYS  39  -4.553  -5.653  -5.755
  311    HA   LYS  39           HA       LYS  39  -3.461  -6.835  -8.081
  312    HB2  LYS  39           2HB      LYS  39  -5.783  -7.094  -8.855
  313    HB3  LYS  39           3HB      LYS  39  -5.594  -7.579  -7.177
  314    HG2  LYS  39           2HG      LYS  39  -6.623  -5.476  -6.425
  315    HG3  LYS  39           3HG      LYS  39  -6.767  -4.932  -8.099
  316    HD2  LYS  39           2HD      LYS  39  -8.161  -7.360  -6.896
  317    HD3  LYS  39           3HD      LYS  39  -8.916  -5.795  -7.216
  318    HE2  LYS  39           2HE      LYS  39  -8.426  -6.100  -9.646
  319    HE3  LYS  39           3HE      LYS  39  -7.763  -7.695  -9.291
  320    HZ1  LYS  39           3HZ      LYS  39 -10.552  -6.843  -8.771
  321    HZ2  LYS  39           1HZ      LYS  39  -9.911  -8.379  -8.481
  322    HZ3  LYS  39           2HZ      LYS  39 -10.039  -7.805 -10.064
  323    H    ASN  40           H        ASN  40  -4.930  -3.631  -7.586
  324    HA   ASN  40           HA       ASN  40  -4.943  -2.743 -10.272
  325    HB2  ASN  40           2HB      ASN  40  -4.791  -1.188  -7.664
  326    HB3  ASN  40           3HB      ASN  40  -5.009  -0.421  -9.234
  327   HD21  ASN  40          1HD2      ASN  40  -6.796  -0.428  -6.939
  328   HD22  ASN  40          2HD2      ASN  40  -8.289  -1.069  -7.509
  329    H    LEU  41           H        LEU  41  -2.414  -2.607  -7.790
  330    HA   LEU  41           HA       LEU  41  -0.520  -1.230  -9.589
  331    HB2  LEU  41           2HB      LEU  41  -0.238  -2.081  -6.685
  332    HB3  LEU  41           3HB      LEU  41   0.935  -1.125  -7.583
  333    HG   LEU  41           HG       LEU  41  -1.896  -0.253  -6.863
  334   HD11  LEU  41          1HD1      LEU  41  -0.425  -0.268  -4.921
  335   HD12  LEU  41          2HD1      LEU  41  -0.843   1.379  -5.387
  336   HD13  LEU  41          3HD1      LEU  41   0.752   0.729  -5.781
  337   HD21  LEU  41          3HD2      LEU  41  -1.228   0.685  -9.026
  338   HD22  LEU  41          1HD2      LEU  41   0.261   1.312  -8.314
  339   HD23  LEU  41          2HD2      LEU  41  -1.306   1.936  -7.790
  340    H    LYS  42           H        LYS  42  -1.484  -4.324  -9.289
  341    HA   LYS  42           HA       LYS  42  -0.733  -6.379  -9.710
  342    HB2  LYS  42           2HB      LYS  42   1.543  -4.904 -11.073
  343    HB3  LYS  42           3HB      LYS  42   1.244  -6.632 -11.252
  344    HG2  LYS  42           2HG      LYS  42  -0.668  -4.406 -12.052
  345    HG3  LYS  42           3HG      LYS  42   0.337  -5.348 -13.156
  346    HD2  LYS  42           2HD      LYS  42  -0.871  -7.414 -12.519
  347    HD3  LYS  42           3HD      LYS  42  -1.852  -6.505 -11.368
  348    HE2  LYS  42           2HE      LYS  42  -2.827  -5.211 -13.224
  349    HE3  LYS  42           3HE      LYS  42  -1.840  -6.116 -14.375
  350    HZ1  LYS  42           3HZ      LYS  42  -2.972  -8.131 -13.706
  351    HZ2  LYS  42           1HZ      LYS  42  -4.087  -6.981 -14.246
  352    HZ3  LYS  42           2HZ      LYS  42  -3.907  -7.276 -12.588
  353    H    LEU  43           H        LEU  43   0.315  -4.880  -7.265
  354    HA   LEU  43           HA       LEU  43   2.566  -6.507  -6.379
  355    HB2  LEU  43           2HB      LEU  43   0.735  -4.610  -4.852
  356    HB3  LEU  43           3HB      LEU  43   2.141  -5.403  -4.158
  357    HG   LEU  43           HG       LEU  43   2.205  -3.341  -6.396
  358   HD11  LEU  43          1HD1      LEU  43   3.023  -3.049  -3.491
  359   HD12  LEU  43          2HD1      LEU  43   1.597  -2.333  -4.247
  360   HD13  LEU  43          3HD1      LEU  43   3.207  -1.828  -4.756
  361   HD21  LEU  43          3HD2      LEU  43   4.038  -4.926  -6.647
  362   HD22  LEU  43          1HD2      LEU  43   4.498  -4.713  -4.954
  363   HD23  LEU  43          2HD2      LEU  43   4.654  -3.373  -6.093
  364    H    THR  44           H        THR  44   2.146  -7.565  -4.069
  365    HA   THR  44           HA       THR  44  -0.419  -9.065  -4.018
  366    HB   THR  44           HB       THR  44   0.723 -10.770  -2.632
  367    HG1  THR  44           HG1      THR  44   3.285  -9.869  -3.136
  368   HG21  THR  44          3HG2      THR  44   0.739 -11.104  -5.082
  369   HG22  THR  44          1HG2      THR  44   2.202 -11.758  -4.339
  370   HG23  THR  44          2HG2      THR  44   2.260 -10.216  -5.194
  371    H    GLU  45           H        GLU  45  -1.205  -9.591  -1.788
  372    HA   GLU  45           HA       GLU  45  -1.394  -7.382  -0.043
  373    HB2  GLU  45           2HB      GLU  45  -1.940 -10.326   0.483
  374    HB3  GLU  45           3HB      GLU  45  -2.320  -9.046   1.633
  375    HG2  GLU  45           2HG      GLU  45  -3.808  -8.004  -0.082
  376    HG3  GLU  45           3HG      GLU  45  -3.499  -9.385  -1.139
  377    H    THR  46           H        THR  46   1.040  -9.908  -0.222
  378    HA   THR  46           HA       THR  46   2.300  -9.507   2.307
  379    HB   THR  46           HB       THR  46   3.430 -10.521  -0.348
  380    HG1  THR  46           HG1      THR  46   2.010 -12.018   0.345
  381   HG21  THR  46          3HG2      THR  46   5.277  -9.730   1.109
  382   HG22  THR  46          1HG2      THR  46   5.284 -11.493   0.963
  383   HG23  THR  46          2HG2      THR  46   4.666 -10.728   2.428
  384    H    GLN  47           H        GLN  47   3.049  -8.300  -0.965
  385    HA   GLN  47           HA       GLN  47   5.216  -6.643  -0.370
  386    HB2  GLN  47           2HB      GLN  47   3.179  -6.542  -2.623
  387    HB3  GLN  47           3HB      GLN  47   4.629  -5.541  -2.599
  388    HG2  GLN  47           2HG      GLN  47   6.063  -7.488  -2.710
  389    HG3  GLN  47           3HG      GLN  47   4.692  -8.576  -2.503
  390   HE21  GLN  47          1HE2      GLN  47   6.226  -6.353  -4.735
  391   HE22  GLN  47          2HE2      GLN  47   5.495  -6.995  -6.155
  392    H    VAL  48           H        VAL  48   1.792  -5.675  -0.826
  393    HA   VAL  48           HA       VAL  48   2.120  -2.925  -0.299
  394    HB   VAL  48           HB       VAL  48  -0.394  -4.634   0.016
  395   HG11  VAL  48          1HG1      VAL  48  -0.147  -1.611  -0.263
  396   HG12  VAL  48          2HG1      VAL  48  -0.673  -2.487   1.175
  397   HG13  VAL  48          3HG1      VAL  48  -1.663  -2.520  -0.282
  398   HG21  VAL  48          3HG2      VAL  48   0.548  -4.767  -2.258
  399   HG22  VAL  48          1HG2      VAL  48   0.573  -3.004  -2.371
  400   HG23  VAL  48          2HG2      VAL  48  -0.966  -3.864  -2.268
  401    H    LYS  49           H        LYS  49   1.280  -5.631   1.905
  402    HA   LYS  49           HA       LYS  49   0.767  -4.150   4.246
  403    HB2  LYS  49           2HB      LYS  49   0.267  -6.578   4.030
  404    HB3  LYS  49           3HB      LYS  49   1.988  -6.942   4.052
  405    HG2  LYS  49           2HG      LYS  49   2.164  -6.096   6.353
  406    HG3  LYS  49           3HG      LYS  49   0.466  -5.620   6.329
  407    HD2  LYS  49           2HD      LYS  49   0.698  -7.690   7.564
  408    HD3  LYS  49           3HD      LYS  49  -0.181  -8.004   6.067
  409    HE2  LYS  49           2HE      LYS  49   1.856  -8.942   5.050
  410    HE3  LYS  49           3HE      LYS  49   2.774  -8.564   6.512
  411    HZ1  LYS  49           3HZ      LYS  49   2.053 -10.902   6.371
  412    HZ2  LYS  49           1HZ      LYS  49   0.440 -10.398   6.429
  413    HZ3  LYS  49           2HZ      LYS  49   1.460 -10.117   7.748
  414    H    ILE  50           H        ILE  50   3.823  -5.653   3.130
  415    HA   ILE  50           HA       ILE  50   5.505  -4.776   5.199
  416    HB   ILE  50           HB       ILE  50   6.167  -5.469   2.298
  417   HG12  ILE  50          2HG1      ILE  50   6.466  -7.133   4.860
  418   HG13  ILE  50          3HG1      ILE  50   5.166  -7.311   3.687
  419   HG21  ILE  50          1HG2      ILE  50   7.988  -4.079   3.201
  420   HG22  ILE  50          2HG2      ILE  50   8.536  -5.743   3.016
  421   HG23  ILE  50          3HG2      ILE  50   8.120  -5.123   4.617
  422   HD11  ILE  50          3HD1      ILE  50   6.828  -9.042   3.406
  423   HD12  ILE  50          1HD1      ILE  50   8.094  -7.836   3.176
  424   HD13  ILE  50          2HD1      ILE  50   6.797  -7.997   1.987
  425    H    TRP  51           H        TRP  51   4.623  -3.165   2.119
  426    HA   TRP  51           HA       TRP  51   6.401  -0.997   2.233
  427    HB2  TRP  51           2HB      TRP  51   4.972  -1.670   0.235
  428    HB3  TRP  51           3HB      TRP  51   3.604  -0.899   1.025
  429    HD1  TRP  51           HD1      TRP  51   6.820  -0.074  -0.868
  430    HE1  TRP  51           HE1      TRP  51   6.842   2.405  -1.491
  431    HE3  TRP  51           HE3      TRP  51   2.784   1.481   1.838
  432    HZ2  TRP  51           HZ2      TRP  51   5.371   4.731  -0.905
  433    HZ3  TRP  51           HZ3      TRP  51   2.158   3.857   1.771
  434    HH2  TRP  51           HH2      TRP  51   3.430   5.455   0.422
  435    H    PHE  52           H        PHE  52   2.908  -0.951   3.136
  436    HA   PHE  52           HA       PHE  52   2.877   1.570   4.390
  437    HB2  PHE  52           2HB      PHE  52   1.074  -0.857   4.648
  438    HB3  PHE  52           3HB      PHE  52   0.781   0.573   5.636
  439    HD1  PHE  52           HD1      PHE  52   1.239  -0.453   2.045
  440    HD2  PHE  52           HD2      PHE  52  -0.525   2.329   4.762
  441    HE1  PHE  52           HE1      PHE  52   0.058   0.623   0.191
  442    HE2  PHE  52           HE2      PHE  52  -1.700   3.400   2.896
  443    HZ   PHE  52           HZ       PHE  52  -1.405   2.551   0.607
  444    H    GLN  53           H        GLN  53   3.682  -1.575   5.731
  445    HA   GLN  53           HA       GLN  53   3.826  -0.966   8.484
  446    HB2  GLN  53           2HB      GLN  53   3.831  -3.258   7.540
  447    HB3  GLN  53           3HB      GLN  53   5.412  -2.976   6.821
  448    HG2  GLN  53           2HG      GLN  53   6.327  -2.689   9.159
  449    HG3  GLN  53           3HG      GLN  53   4.746  -3.185   9.771
  450   HE21  GLN  53          1HE2      GLN  53   7.595  -4.223   8.031
  451   HE22  GLN  53          2HE2      GLN  53   7.310  -5.919   8.177
  452    H    ASN  54           H        ASN  54   6.346  -0.942   5.947
  453    HA   ASN  54           HA       ASN  54   8.518  -0.007   7.479
  454    HB2  ASN  54           2HB      ASN  54   7.987   0.216   4.496
  455    HB3  ASN  54           3HB      ASN  54   9.520   0.654   5.245
  456   HD21  ASN  54          1HD2      ASN  54   8.949  -1.371   3.243
  457   HD22  ASN  54          2HD2      ASN  54   9.506  -2.864   3.898
  458    H    ARG  55           H        ARG  55   6.157   1.759   5.474
  459    HA   ARG  55           HA       ARG  55   7.243   4.319   5.696
  460    HB2  ARG  55           2HB      ARG  55   4.594   3.194   4.906
  461    HB3  ARG  55           3HB      ARG  55   4.571   4.880   5.380
  462    HG2  ARG  55           2HG      ARG  55   4.778   4.668   2.975
  463    HG3  ARG  55           3HG      ARG  55   6.208   5.437   3.653
  464    HD2  ARG  55           2HD      ARG  55   6.127   2.479   2.972
  465    HD3  ARG  55           3HD      ARG  55   6.579   3.708   1.794
  466    HE   ARG  55           HE       ARG  55   8.162   4.075   4.063
  467   HH11  ARG  55          1HH1      ARG  55   7.769   1.740   1.535
  468   HH12  ARG  55          2HH1      ARG  55   9.406   1.205   1.650
  469   HH21  ARG  55          1HH2      ARG  55  10.227   3.363   4.200
  470   HH22  ARG  55          2HH2      ARG  55  10.786   2.118   3.141
  471    H    ARG  56           H        ARG  56   5.036   2.653   7.956
  472    HA   ARG  56           HA       ARG  56   4.753   4.950   9.703
  473    HB2  ARG  56           2HB      ARG  56   4.084   2.010  10.141
  474    HB3  ARG  56           3HB      ARG  56   3.688   3.300  11.276
  475    HG2  ARG  56           2HG      ARG  56   2.257   4.366   9.576
  476    HG3  ARG  56           3HG      ARG  56   2.656   3.085   8.429
  477    HD2  ARG  56           2HD      ARG  56   1.182   2.738  11.058
  478    HD3  ARG  56           3HD      ARG  56   0.454   2.711   9.449
  479    HE   ARG  56           HE       ARG  56   2.259   0.662  10.585
  480   HH11  ARG  56          1HH1      ARG  56   0.018   1.549   8.093
  481   HH12  ARG  56          2HH1      ARG  56  -0.163  -0.075   7.551
  482   HH21  ARG  56          1HH2      ARG  56   2.003  -1.374   9.849
  483   HH22  ARG  56          2HH2      ARG  56   0.942  -1.709   8.534
  484    H    TYR  57           H        TYR  57   6.815   2.093   9.553
  485    HA   TYR  57           HA       TYR  57   8.049   2.279  12.119
  486    HB2  TYR  57           2HB      TYR  57   7.951   0.206  10.715
  487    HB3  TYR  57           3HB      TYR  57   9.045   0.947   9.559
  488    HD1  TYR  57           HD1      TYR  57   8.814  -0.365  13.059
  489    HD2  TYR  57           HD2      TYR  57  11.429   0.854   9.906
  490    HE1  TYR  57           HE1      TYR  57  10.733  -1.298  14.285
  491    HE2  TYR  57           HE2      TYR  57  13.339  -0.069  11.123
  492    HH   TYR  57           HH       TYR  57  13.951  -0.602  13.459
  493    H    LYS  58           H        LYS  58   8.767   3.682   8.993
  494    HA   LYS  58           HA       LYS  58  11.402   4.695   9.728
  495    HB2  LYS  58           2HB      LYS  58   9.816   4.891   7.143
  496    HB3  LYS  58           3HB      LYS  58  11.438   5.527   7.353
  497    HG2  LYS  58           2HG      LYS  58  10.792   2.581   7.691
  498    HG3  LYS  58           3HG      LYS  58  11.190   3.288   6.130
  499    HD2  LYS  58           2HD      LYS  58  13.220   2.349   6.895
  500    HD3  LYS  58           3HD      LYS  58  13.397   4.074   7.197
  501    HE2  LYS  58           2HE      LYS  58  12.916   3.710   9.583
  502    HE3  LYS  58           3HE      LYS  58  12.643   1.994   9.276
  503    HZ1  LYS  58           3HZ      LYS  58  14.832   2.411  10.167
  504    HZ2  LYS  58           1HZ      LYS  58  15.204   3.432   8.876
  505    HZ3  LYS  58           2HZ      LYS  58  14.942   1.785   8.607
  506    H    THR  59           H        THR  59   8.207   5.773  10.011
  507    HA   THR  59           HA       THR  59   9.070   8.608  10.311
  508    HB   THR  59           HB       THR  59   6.618   9.181  10.326
  509    HG1  THR  59           HG1      THR  59   5.706   6.931   9.148
  510   HG21  THR  59          3HG2      THR  59   7.914   9.346   8.207
  511   HG22  THR  59          1HG2      THR  59   6.225   8.903   7.918
  512   HG23  THR  59          2HG2      THR  59   7.486   7.676   7.829
  513    H    LYS  60           H        LYS  60   8.633   5.813  12.063
  514    HA   LYS  60           HA       LYS  60   7.489   6.703  14.499
  515    HB2  LYS  60           2HB      LYS  60   7.779   4.309  13.931
  516    HB3  LYS  60           3HB      LYS  60   9.526   4.491  13.994
  517    HG2  LYS  60           2HG      LYS  60   8.674   3.382  16.015
  518    HG3  LYS  60           3HG      LYS  60   9.428   4.931  16.407
  519    HD2  LYS  60           2HD      LYS  60   7.141   5.980  16.499
  520    HD3  LYS  60           3HD      LYS  60   6.429   4.389  16.212
  521    HE2  LYS  60           2HE      LYS  60   7.372   3.569  18.321
  522    HE3  LYS  60           3HE      LYS  60   8.177   5.116  18.590
  523    HZ1  LYS  60           3HZ      LYS  60   6.149   4.970  19.867
  524    HZ2  LYS  60           1HZ      LYS  60   5.242   4.679  18.466
  525    HZ3  LYS  60           2HZ      LYS  60   6.000   6.171  18.690
  526    H    ARG  61           H        ARG  61  10.675   7.069  13.128
  527    HA   ARG  61           HA       ARG  61  12.081   8.207  15.322
  528    HB2  ARG  61           2HB      ARG  61  13.537   9.191  13.523
  529    HB3  ARG  61           3HB      ARG  61  13.254   7.467  13.304
  530    HG2  ARG  61           2HG      ARG  61  11.797   7.813  11.463
  531    HG3  ARG  61           3HG      ARG  61  11.552   9.512  11.857
  532    HD2  ARG  61           2HD      ARG  61  13.819  10.052  11.153
  533    HD3  ARG  61           3HD      ARG  61  14.178   8.344  10.899
  534    HE   ARG  61           HE       ARG  61  13.011   8.384   8.916
  535   HH11  ARG  61          1HH1      ARG  61  12.395  11.414  10.492
  536   HH12  ARG  61          2HH1      ARG  61  11.799  12.145   9.049
  537   HH21  ARG  61          1HH2      ARG  61  12.260   9.350   7.111
  538   HH22  ARG  61          2HH2      ARG  61  11.721  10.992   7.148
  539    H    LYS  62           H        LYS  62  12.942  10.724  14.475
  540    HA   LYS  62           HA       LYS  62  10.980  12.634  15.080
  541    HB2  LYS  62           2HB      LYS  62  12.610  14.285  14.223
  542    HB3  LYS  62           3HB      LYS  62  13.377  13.079  15.246
  543    HG2  LYS  62           2HG      LYS  62  13.952  11.890  12.956
  544    HG3  LYS  62           3HG      LYS  62  13.646  13.486  12.264
  545    HD2  LYS  62           2HD      LYS  62  15.733  12.740  14.348
  546    HD3  LYS  62           3HD      LYS  62  16.022  13.263  12.689
  547    HE2  LYS  62           2HE      LYS  62  14.793  15.007  14.859
  548    HE3  LYS  62           3HE      LYS  62  16.489  15.038  14.381
  549    HZ1  LYS  62           3HZ      LYS  62  15.194  16.795  13.342
  550    HZ2  LYS  62           1HZ      LYS  62  14.207  15.652  12.585
  551    HZ3  LYS  62           2HZ      LYS  62  15.852  15.751  12.189
  552    H    GLN  63           H        GLN  63  10.245  14.430  13.513
  553    HA   GLN  63           HA       GLN  63   8.338  13.180  11.848
  554    HB2  GLN  63           2HB      GLN  63   9.033  16.133  12.097
  555    HB3  GLN  63           3HB      GLN  63   7.594  15.514  11.295
  556    HG2  GLN  63           2HG      GLN  63   8.269  15.327  14.250
  557    HG3  GLN  63           3HG      GLN  63   6.991  16.280  13.502
  558   HE21  GLN  63          1HE2      GLN  63   7.954  13.085  14.513
  559   HE22  GLN  63          2HE2      GLN  63   6.404  12.350  14.343
  560    H    LEU  64           H        LEU  64   7.802  14.465   9.649
  561    HA   LEU  64           HA       LEU  64   9.144  13.009   7.729
  562    HB2  LEU  64           2HB      LEU  64   7.368  15.448   7.431
  563    HB3  LEU  64           3HB      LEU  64   7.958  14.551   6.047
  564    HG   LEU  64           HG       LEU  64   5.709  13.832   6.432
  565   HD11  LEU  64          1HD1      LEU  64   7.531  11.661   7.487
  566   HD12  LEU  64          2HD1      LEU  64   7.201  12.031   5.793
  567   HD13  LEU  64          3HD1      LEU  64   5.909  11.431   6.827
  568   HD21  LEU  64          3HD2      LEU  64   6.390  13.251   9.332
  569   HD22  LEU  64          1HD2      LEU  64   4.853  12.901   8.536
  570   HD23  LEU  64          2HD2      LEU  64   5.378  14.569   8.739
  571    H    SER  65           H        SER  65   9.590  16.473   8.445
  572    HA   SER  65           HA       SER  65  11.670  16.830   6.453
  573    HB2  SER  65           2HB      SER  65  10.105  18.683   7.037
  574    HB3  SER  65           3HB      SER  65  10.780  18.739   8.666
  575    HG   SER  65           HG       SER  65  12.134  19.259   6.219
  576    H    SER  66           H        SER  66  13.143  15.183   7.178
  577    HA   SER  66           HA       SER  66  14.534  15.457   9.755
  578    HB2  SER  66           2HB      SER  66  15.612  13.331   9.128
  579    HB3  SER  66           3HB      SER  66  13.868  13.200   8.880
  580    HG   SER  66           HG       SER  66  14.461  12.571   6.954
  581    H    GLU  67           H        GLU  67  17.102  14.688   9.155
  582    HA   GLU  67           HA       GLU  67  18.275  17.054   7.933
  583    HB2  GLU  67           2HB      GLU  67  19.466  14.696   9.435
  584    HB3  GLU  67           3HB      GLU  67  20.470  15.941   8.706
  585    HG2  GLU  67           2HG      GLU  67  20.219  16.381  11.071
  586    HG3  GLU  67           3HG      GLU  67  19.415  17.645  10.142
  587    H    LEU  68           H        LEU  68  17.196  14.235   6.593
  588    HA   LEU  68           HA       LEU  68  19.349  13.411   4.909
  589    HB2  LEU  68           2HB      LEU  68  16.354  12.984   4.598
  590    HB3  LEU  68           3HB      LEU  68  17.594  12.115   3.704
  591    HG   LEU  68           HG       LEU  68  17.217  11.976   6.724
  592   HD11  LEU  68          1HD1      LEU  68  15.328  10.939   5.576
  593   HD12  LEU  68          2HD1      LEU  68  16.318   9.735   6.394
  594   HD13  LEU  68          3HD1      LEU  68  16.432   9.925   4.641
  595   HD21  LEU  68          3HD2      LEU  68  19.546  11.587   6.067
  596   HD22  LEU  68          1HD2      LEU  68  19.036  10.349   4.916
  597   HD23  LEU  68          2HD2      LEU  68  18.805  10.100   6.649
  598    H    GLY  69           H        GLY  69  19.975  14.109   2.902
  599    HA2  GLY  69           2HA      GLY  69  19.056  16.668   1.923
  600    HA3  GLY  69           3HA      GLY  69  20.357  15.692   1.261
  Start of MODEL    6
    1    H1   MET   1           1H       MET   1  18.818   1.952  14.645
    2    H2   MET   1           2H       MET   1  20.077   0.828  14.741
    3    H3   MET   1           3H       MET   1  19.713   1.565  13.268
    4    HA   MET   1           HA       MET   1  20.354   3.722  14.116
    5    HB2  MET   1           2HB      MET   1  21.133   2.163  16.624
    6    HB3  MET   1           3HB      MET   1  21.489   3.870  16.341
    7    HG2  MET   1           2HG      MET   1  18.724   2.650  16.555
    8    HG3  MET   1           3HG      MET   1  19.539   3.603  17.799
    9    HE1  MET   1           3HE      MET   1  16.652   5.985  16.438
   10    HE2  MET   1           1HE      MET   1  17.244   5.096  17.840
   11    HE3  MET   1           2HE      MET   1  16.548   4.226  16.471
   12    H    GLY   2           H        GLY   2  22.698   4.444  14.278
   13    HA2  GLY   2           2HA      GLY   2  25.004   4.132  14.033
   14    HA3  GLY   2           3HA      GLY   2  24.756   2.412  13.808
   15    H    HIS   3           H        HIS   3  23.308   2.035  11.662
   16    HA   HIS   3           HA       HIS   3  24.250   3.694   9.399
   17    HB2  HIS   3           2HB      HIS   3  24.615   0.659   9.571
   18    HB3  HIS   3           3HB      HIS   3  24.912   1.624   8.129
   19    HD1  HIS   3           HD1      HIS   3  26.363   0.833  11.509
   20    HD2  HIS   3           HD2      HIS   3  27.378   2.973   8.096
   21    HE1  HIS   3           HE1      HIS   3  28.782   1.428  11.775
   22    HE2  HIS   3           HE2      HIS   3  29.396   2.618   9.659
   23    H    HIS   4           H        HIS   4  22.205   4.368   8.674
   24    HA   HIS   4           HA       HIS   4  19.941   2.562   8.686
   25    HB2  HIS   4           2HB      HIS   4  18.638   4.427   7.685
   26    HB3  HIS   4           3HB      HIS   4  19.476   4.893   9.151
   27    HD1  HIS   4           HD1      HIS   4  21.384   6.670   8.901
   28    HD2  HIS   4           HD2      HIS   4  19.363   5.866   5.370
   29    HE1  HIS   4           HE1      HIS   4  21.997   8.523   7.342
   30    HE2  HIS   4           HE2      HIS   4  20.642   8.097   5.276
   31    H    HIS   5           H        HIS   5  20.720   0.834   7.394
   32    HA   HIS   5           HA       HIS   5  21.449   1.136   4.653
   33    HB2  HIS   5           2HB      HIS   5  21.093  -1.377   4.499
   34    HB3  HIS   5           3HB      HIS   5  22.256  -0.839   5.700
   35    HD1  HIS   5           HD1      HIS   5  18.619  -1.982   5.560
   36    HD2  HIS   5           HD2      HIS   5  21.849  -1.929   8.163
   37    HE1  HIS   5           HE1      HIS   5  17.880  -3.270   7.567
   38    HE2  HIS   5           HE2      HIS   5  19.781  -3.078   9.192
   39    H    HIS   6           H        HIS   6  20.150   1.907   3.162
   40    HA   HIS   6           HA       HIS   6  17.400   2.280   3.332
   41    HB2  HIS   6           2HB      HIS   6  17.516   2.912   0.912
   42    HB3  HIS   6           3HB      HIS   6  18.770   3.669   1.883
   43    HD1  HIS   6           HD1      HIS   6  18.276   1.141  -0.840
   44    HD2  HIS   6           HD2      HIS   6  21.415   2.915   1.210
   45    HE1  HIS   6           HE1      HIS   6  20.335   0.539  -2.122
   46    HE2  HIS   6           HE2      HIS   6  22.179   1.803  -0.982
   47    H    HIS   7           H        HIS   7  15.707   0.923   3.125
   48    HA   HIS   7           HA       HIS   7  15.972  -1.788   2.268
   49    HB2  HIS   7           2HB      HIS   7  14.314  -1.093   3.998
   50    HB3  HIS   7           3HB      HIS   7  13.415  -0.190   2.779
   51    HD1  HIS   7           HD1      HIS   7  14.673  -3.777   3.134
   52    HD2  HIS   7           HD2      HIS   7  11.324  -1.691   1.837
   53    HE1  HIS   7           HE1      HIS   7  13.039  -5.519   2.405
   54    HE2  HIS   7           HE2      HIS   7  10.957  -4.243   1.862
   55    H    HIS   8           H        HIS   8  16.431  -2.154   0.169
   56    HA   HIS   8           HA       HIS   8  15.059  -0.659  -1.967
   57    HB2  HIS   8           2HB      HIS   8  17.562  -0.893  -2.017
   58    HB3  HIS   8           3HB      HIS   8  17.375  -2.638  -2.193
   59    HD1  HIS   8           HD1      HIS   8  16.889  -3.507  -4.548
   60    HD2  HIS   8           HD2      HIS   8  16.698   0.633  -4.309
   61    HE1  HIS   8           HE1      HIS   8  16.657  -2.705  -6.911
   62    HE2  HIS   8           HE2      HIS   8  16.426  -0.212  -6.723
   63    H    SER   9           H        SER   9  13.360  -1.514  -2.979
   64    HA   SER   9           HA       SER   9  13.198  -4.397  -3.540
   65    HB2  SER   9           2HB      SER   9  10.857  -4.589  -2.785
   66    HB3  SER   9           3HB      SER   9  11.878  -4.099  -1.437
   67    HG   SER   9           HG       SER   9  11.142  -1.852  -2.281
   68    H    HIS  10           H        HIS  10  12.033  -4.875  -5.427
   69    HA   HIS  10           HA       HIS  10  12.295  -2.917  -7.451
   70    HB2  HIS  10           2HB      HIS  10  12.617  -5.389  -7.766
   71    HB3  HIS  10           3HB      HIS  10  10.877  -5.607  -7.636
   72    HD1  HIS  10           HD1      HIS  10   9.432  -4.853  -9.670
   73    HD2  HIS  10           HD2      HIS  10  13.519  -4.396 -10.251
   74    HE1  HIS  10           HE1      HIS  10   9.720  -4.429 -12.123
   75    HE2  HIS  10           HE2      HIS  10  12.191  -4.138 -12.446
   76    H    MET  11           H        MET  11  10.957  -1.163  -7.108
   77    HA   MET  11           HA       MET  11   8.108  -1.482  -7.785
   78    HB2  MET  11           2HB      MET  11   9.101   0.192  -5.432
   79    HB3  MET  11           3HB      MET  11   7.495   0.333  -6.115
   80    HG2  MET  11           2HG      MET  11   7.089  -2.063  -5.509
   81    HG3  MET  11           3HG      MET  11   8.653  -2.072  -4.688
   82    HE1  MET  11           3HE      MET  11   7.033  -2.979  -2.579
   83    HE2  MET  11           1HE      MET  11   5.550  -2.641  -3.477
   84    HE3  MET  11           2HE      MET  11   5.779  -1.966  -1.864
   85    H    SER  12           H        SER  12   7.311   0.116  -9.080
   86    HA   SER  12           HA       SER  12   9.119   1.964 -10.387
   87    HB2  SER  12           2HB      SER  12   7.272   0.904 -11.656
   88    HB3  SER  12           3HB      SER  12   6.086   1.674 -10.603
   89    HG   SER  12           HG       SER  12   7.057   2.630 -12.813
   90    H    HIS  13           H        HIS  13   8.869   4.308 -10.378
   91    HA   HIS  13           HA       HIS  13   8.609   5.439  -7.808
   92    HB2  HIS  13           2HB      HIS  13  10.012   6.391  -9.688
   93    HB3  HIS  13           3HB      HIS  13   8.534   6.966 -10.450
   94    HD1  HIS  13           HD1      HIS  13  10.846   7.648  -7.589
   95    HD2  HIS  13           HD2      HIS  13   7.349   9.232  -9.179
   96    HE1  HIS  13           HE1      HIS  13  10.514   9.843  -6.430
   97    HE2  HIS  13           HE2      HIS  13   8.505  10.853  -7.535
   98    H    THR  14           H        THR  14   6.393   5.450 -10.613
   99    HA   THR  14           HA       THR  14   4.340   7.062  -9.511
  100    HB   THR  14           HB       THR  14   3.971   4.850 -11.588
  101    HG1  THR  14           HG1      THR  14   4.644   7.586 -12.033
  102   HG21  THR  14          3HG2      THR  14   2.121   6.260 -12.427
  103   HG22  THR  14          1HG2      THR  14   2.416   7.430 -11.142
  104   HG23  THR  14          2HG2      THR  14   1.840   5.808 -10.743
  105    H    GLN  15           H        GLN  15   4.962   3.564  -9.422
  106    HA   GLN  15           HA       GLN  15   2.590   2.640  -8.229
  107    HB2  GLN  15           2HB      GLN  15   4.136   1.078  -9.226
  108    HB3  GLN  15           3HB      GLN  15   5.442   1.582  -8.159
  109    HG2  GLN  15           2HG      GLN  15   4.436   0.510  -6.264
  110    HG3  GLN  15           3HG      GLN  15   2.925   0.226  -7.141
  111   HE21  GLN  15          1HE2      GLN  15   2.888  -1.434  -8.727
  112   HE22  GLN  15          2HE2      GLN  15   4.073  -2.685  -8.740
  113    H    VAL  16           H        VAL  16   5.674   3.647  -6.721
  114    HA   VAL  16           HA       VAL  16   4.897   3.366  -4.030
  115    HB   VAL  16           HB       VAL  16   6.942   5.346  -5.153
  116   HG11  VAL  16          1HG1      VAL  16   6.351   5.905  -2.831
  117   HG12  VAL  16          2HG1      VAL  16   7.992   5.265  -2.901
  118   HG13  VAL  16          3HG1      VAL  16   6.671   4.246  -2.319
  119   HG21  VAL  16          3HG2      VAL  16   7.380   2.492  -4.167
  120   HG22  VAL  16          1HG2      VAL  16   8.644   3.610  -4.696
  121   HG23  VAL  16          2HG2      VAL  16   7.442   3.026  -5.846
  122    H    ILE  17           H        ILE  17   4.538   6.176  -6.266
  123    HA   ILE  17           HA       ILE  17   3.506   8.070  -4.447
  124    HB   ILE  17           HB       ILE  17   2.808   7.773  -7.410
  125   HG12  ILE  17          2HG1      ILE  17   4.865   9.612  -6.089
  126   HG13  ILE  17          3HG1      ILE  17   5.248   8.132  -6.957
  127   HG21  ILE  17          1HG2      ILE  17   2.106  10.159  -7.345
  128   HG22  ILE  17          2HG2      ILE  17   2.375  10.190  -5.601
  129   HG23  ILE  17          3HG2      ILE  17   1.113   9.161  -6.278
  130   HD11  ILE  17          3HD1      ILE  17   5.666  10.084  -8.322
  131   HD12  ILE  17          1HD1      ILE  17   3.988  10.601  -8.153
  132   HD13  ILE  17          2HD1      ILE  17   4.375   9.112  -9.022
  133    H    GLU  18           H        GLU  18   1.779   5.620  -6.417
  134    HA   GLU  18           HA       GLU  18  -0.870   6.255  -5.683
  135    HB2  GLU  18           2HB      GLU  18   0.314   3.575  -6.524
  136    HB3  GLU  18           3HB      GLU  18  -1.409   3.931  -6.471
  137    HG2  GLU  18           2HG      GLU  18   0.530   5.482  -8.215
  138    HG3  GLU  18           3HG      GLU  18  -0.273   4.008  -8.755
  139    H    LEU  19           H        LEU  19   1.422   3.915  -4.305
  140    HA   LEU  19           HA       LEU  19  -0.096   2.916  -2.162
  141    HB2  LEU  19           2HB      LEU  19   2.891   3.301  -2.545
  142    HB3  LEU  19           3HB      LEU  19   2.230   2.497  -1.136
  143    HG   LEU  19           HG       LEU  19   1.762   1.499  -3.966
  144   HD11  LEU  19          1HD1      LEU  19   4.171   1.472  -3.517
  145   HD12  LEU  19          2HD1      LEU  19   3.518  -0.162  -3.577
  146   HD13  LEU  19          3HD1      LEU  19   3.898   0.578  -2.019
  147   HD21  LEU  19          3HD2      LEU  19   1.144  -0.610  -2.858
  148   HD22  LEU  19          1HD2      LEU  19   0.113   0.714  -2.321
  149   HD23  LEU  19          2HD2      LEU  19   1.408   0.127  -1.274
  150    H    GLU  20           H        GLU  20   1.985   5.836  -2.367
  151    HA   GLU  20           HA       GLU  20   1.847   6.608   0.369
  152    HB2  GLU  20           2HB      GLU  20   2.597   8.149  -2.139
  153    HB3  GLU  20           3HB      GLU  20   2.677   8.866  -0.532
  154    HG2  GLU  20           2HG      GLU  20   4.353   7.214   0.153
  155    HG3  GLU  20           3HG      GLU  20   4.234   6.413  -1.411
  156    H    ARG  21           H        ARG  21  -0.067   7.476  -2.470
  157    HA   ARG  21           HA       ARG  21  -1.674   9.498  -1.394
  158    HB2  ARG  21           2HB      ARG  21  -2.228   7.427  -3.553
  159    HB3  ARG  21           3HB      ARG  21  -3.354   8.730  -3.177
  160    HG2  ARG  21           2HG      ARG  21  -1.726  10.408  -3.844
  161    HG3  ARG  21           3HG      ARG  21  -0.484   9.175  -4.073
  162    HD2  ARG  21           2HD      ARG  21  -1.730   8.211  -5.944
  163    HD3  ARG  21           3HD      ARG  21  -3.068   9.336  -5.670
  164    HE   ARG  21           HE       ARG  21  -0.685  10.782  -6.097
  165   HH11  ARG  21          1HH1      ARG  21  -2.856   8.812  -7.940
  166   HH12  ARG  21          2HH1      ARG  21  -2.607   9.715  -9.391
  167   HH21  ARG  21          1HH2      ARG  21  -0.382  11.919  -7.967
  168   HH22  ARG  21          2HH2      ARG  21  -1.214  11.453  -9.408
  169    H    LYS  22           H        LYS  22  -1.979   5.965  -1.282
  170    HA   LYS  22           HA       LYS  22  -4.465   5.886   0.146
  171    HB2  LYS  22           2HB      LYS  22  -3.587   4.007  -1.263
  172    HB3  LYS  22           3HB      LYS  22  -2.306   3.749  -0.087
  173    HG2  LYS  22           2HG      LYS  22  -3.960   2.105   0.376
  174    HG3  LYS  22           3HG      LYS  22  -4.113   3.315   1.649
  175    HD2  LYS  22           2HD      LYS  22  -6.334   2.697   0.933
  176    HD3  LYS  22           3HD      LYS  22  -6.028   4.340   0.366
  177    HE2  LYS  22           2HE      LYS  22  -5.538   3.483  -1.891
  178    HE3  LYS  22           3HE      LYS  22  -5.769   1.827  -1.321
  179    HZ1  LYS  22           3HZ      LYS  22  -7.833   3.953  -1.424
  180    HZ2  LYS  22           1HZ      LYS  22  -8.064   2.401  -0.792
  181    HZ3  LYS  22           2HZ      LYS  22  -7.724   2.599  -2.433
  182    H    PHE  23           H        PHE  23  -1.038   5.622   1.083
  183    HA   PHE  23           HA       PHE  23  -1.300   4.983   3.802
  184    HB2  PHE  23           2HB      PHE  23   0.790   4.720   2.489
  185    HB3  PHE  23           3HB      PHE  23   0.948   6.466   2.371
  186    HD1  PHE  23           HD2      PHE  23   0.934   3.641   4.831
  187    HD2  PHE  23           HD1      PHE  23   2.134   7.678   4.079
  188    HE1  PHE  23           HE2      PHE  23   2.270   3.632   6.889
  189    HE2  PHE  23           HE1      PHE  23   3.470   7.660   6.137
  190    HZ   PHE  23           HZ       PHE  23   3.541   5.641   7.548
  191    H    SER  24           H        SER  24  -1.181   8.119   2.170
  192    HA   SER  24           HA       SER  24  -1.040   9.849   4.354
  193    HB2  SER  24           2HB      SER  24  -0.658  10.536   1.999
  194    HB3  SER  24           3HB      SER  24  -2.376  10.334   1.655
  195    HG   SER  24           HG       SER  24  -1.086  12.251   3.265
  196    H    HIS  25           H        HIS  25  -3.887   8.321   2.826
  197    HA   HIS  25           HA       HIS  25  -5.772   9.832   4.459
  198    HB2  HIS  25           2HB      HIS  25  -6.139   7.723   2.293
  199    HB3  HIS  25           3HB      HIS  25  -7.487   8.428   3.182
  200    HD1  HIS  25           HD1      HIS  25  -8.567  10.271   1.899
  201    HD2  HIS  25           HD2      HIS  25  -4.503  10.057   1.093
  202    HE1  HIS  25           HE1      HIS  25  -8.110  12.079   0.231
  203    HE2  HIS  25           HE2      HIS  25  -5.669  11.886  -0.286
  204    H    GLN  26           H        GLN  26  -4.414   6.564   4.355
  205    HA   GLN  26           HA       GLN  26  -5.325   6.032   7.061
  206    HB2  GLN  26           2HB      GLN  26  -6.453   3.926   6.575
  207    HB3  GLN  26           3HB      GLN  26  -7.221   5.225   5.672
  208    HG2  GLN  26           2HG      GLN  26  -5.884   4.470   3.648
  209    HG3  GLN  26           3HG      GLN  26  -5.378   3.070   4.597
  210   HE21  GLN  26          1HE2      GLN  26  -7.033   1.552   5.241
  211   HE22  GLN  26          2HE2      GLN  26  -8.491   1.411   4.330
  212    H    LYS  27           H        LYS  27  -3.863   4.888   8.174
  213    HA   LYS  27           HA       LYS  27  -1.353   4.077   6.922
  214    HB2  LYS  27           2HB      LYS  27  -2.213   4.048   9.845
  215    HB3  LYS  27           3HB      LYS  27  -0.562   3.844   9.256
  216    HG2  LYS  27           2HG      LYS  27  -2.250   6.361   8.952
  217    HG3  LYS  27           3HG      LYS  27  -0.966   6.117  10.143
  218    HD2  LYS  27           2HD      LYS  27   0.703   5.927   8.351
  219    HD3  LYS  27           3HD      LYS  27  -0.560   6.054   7.124
  220    HE2  LYS  27           2HE      LYS  27   0.169   8.229   9.111
  221    HE3  LYS  27           3HE      LYS  27   0.675   8.174   7.423
  222    HZ1  LYS  27           3HZ      LYS  27  -1.671   8.264   6.785
  223    HZ2  LYS  27           1HZ      LYS  27  -1.209   9.612   7.693
  224    HZ3  LYS  27           2HZ      LYS  27  -2.115   8.384   8.413
  225    H    TYR  28           H        TYR  28  -4.228   2.539   8.064
  226    HA   TYR  28           HA       TYR  28  -3.028  -0.164   7.764
  227    HB2  TYR  28           2HB      TYR  28  -5.259   0.699   9.663
  228    HB3  TYR  28           3HB      TYR  28  -4.774  -0.974   9.390
  229    HD1  TYR  28           HD2      TYR  28  -2.540  -1.780  10.185
  230    HD2  TYR  28           HD1      TYR  28  -3.922   2.167  11.081
  231    HE1  TYR  28           HE2      TYR  28  -0.847  -1.583  11.949
  232    HE2  TYR  28           HE1      TYR  28  -2.230   2.361  12.838
  233    HH   TYR  28           HH       TYR  28  -0.864   0.973  14.243
  234    H    LEU  29           H        LEU  29  -3.890  -1.357   6.195
  235    HA   LEU  29           HA       LEU  29  -6.464  -0.628   4.942
  236    HB2  LEU  29           2HB      LEU  29  -4.173  -2.430   4.068
  237    HB3  LEU  29           3HB      LEU  29  -5.698  -2.345   3.195
  238    HG   LEU  29           HG       LEU  29  -3.825   0.020   3.621
  239   HD11  LEU  29          1HD1      LEU  29  -2.824  -1.675   2.145
  240   HD12  LEU  29          2HD1      LEU  29  -3.225  -0.193   1.284
  241   HD13  LEU  29          3HD1      LEU  29  -4.255  -1.617   1.109
  242   HD21  LEU  29          3HD2      LEU  29  -6.320  -0.246   1.907
  243   HD22  LEU  29          1HD2      LEU  29  -5.244   1.151   1.969
  244   HD23  LEU  29          2HD2      LEU  29  -6.168   0.697   3.393
  245    H    SER  30           H        SER  30  -8.251  -1.892   5.123
  246    HA   SER  30           HA       SER  30  -8.326  -4.343   6.662
  247    HB2  SER  30           2HB      SER  30 -10.427  -3.150   4.792
  248    HB3  SER  30           3HB      SER  30 -10.704  -4.429   5.983
  249    HG   SER  30           HG       SER  30 -10.344  -1.682   6.342
  250    H    ALA  31           H        ALA  31  -9.131  -6.437   5.649
  251    HA   ALA  31           HA       ALA  31  -7.340  -7.367   3.744
  252    HB1  ALA  31           3HB      ALA  31  -8.490  -8.816   5.364
  253    HB2  ALA  31           1HB      ALA  31  -8.610  -9.454   3.729
  254    HB3  ALA  31           2HB      ALA  31  -9.997  -8.643   4.462
  255    HA   PRO  32           HA       PRO  32 -10.777  -6.897   0.175
  256    HB2  PRO  32           2HB      PRO  32 -12.261  -4.529   1.318
  257    HB3  PRO  32           3HB      PRO  32 -12.874  -5.886   0.345
  258    HG2  PRO  32           2HG      PRO  32 -13.389  -5.799   2.945
  259    HG3  PRO  32           3HG      PRO  32 -12.958  -7.342   2.166
  260    HD2  PRO  32           2HD      PRO  32 -11.225  -5.542   3.851
  261    HD3  PRO  32           3HD      PRO  32 -11.360  -7.315   3.858
  262    H    GLU  33           H        GLU  33  -9.833  -3.965   2.046
  263    HA   GLU  33           HA       GLU  33  -9.501  -2.246  -0.206
  264    HB2  GLU  33           2HB      GLU  33  -8.284  -1.942   2.574
  265    HB3  GLU  33           3HB      GLU  33  -8.536  -0.657   1.389
  266    HG2  GLU  33           2HG      GLU  33 -10.996  -1.015   1.588
  267    HG3  GLU  33           3HG      GLU  33 -10.698  -2.225   2.834
  268    H    ARG  34           H        ARG  34  -7.269  -4.226   1.663
  269    HA   ARG  34           HA       ARG  34  -4.827  -3.259   0.581
  270    HB2  ARG  34           2HB      ARG  34  -5.121  -4.405   2.782
  271    HB3  ARG  34           3HB      ARG  34  -5.430  -5.914   1.929
  272    HG2  ARG  34           2HG      ARG  34  -3.124  -5.819   0.992
  273    HG3  ARG  34           3HG      ARG  34  -2.834  -4.336   1.913
  274    HD2  ARG  34           2HD      ARG  34  -1.948  -6.391   3.042
  275    HD3  ARG  34           3HD      ARG  34  -3.139  -5.515   4.017
  276    HE   ARG  34           HE       ARG  34  -4.134  -7.696   2.354
  277   HH11  ARG  34          1HH1      ARG  34  -3.192  -6.753   5.550
  278   HH12  ARG  34          2HH1      ARG  34  -4.079  -8.039   6.286
  279   HH21  ARG  34          1HH2      ARG  34  -5.251  -9.291   3.288
  280   HH22  ARG  34          2HH2      ARG  34  -5.228  -9.484   5.009
  281    H    ALA  35           H        ALA  35  -6.866  -6.091  -0.151
  282    HA   ALA  35           HA       ALA  35  -5.382  -7.146  -2.324
  283    HB1  ALA  35           3HB      ALA  35  -8.366  -7.342  -1.771
  284    HB2  ALA  35           1HB      ALA  35  -7.123  -8.423  -1.138
  285    HB3  ALA  35           2HB      ALA  35  -7.447  -8.375  -2.872
  286    H    HIS  36           H        HIS  36  -7.917  -4.680  -2.136
  287    HA   HIS  36           HA       HIS  36  -8.431  -4.327  -4.902
  288    HB2  HIS  36           2HB      HIS  36  -9.956  -3.590  -3.066
  289    HB3  HIS  36           3HB      HIS  36  -8.803  -2.345  -2.609
  290    HD1  HIS  36           HD1      HIS  36 -11.472  -3.128  -5.091
  291    HD2  HIS  36           HD2      HIS  36  -8.743  -0.083  -4.362
  292    HE1  HIS  36           HE1      HIS  36 -12.241  -1.187  -6.471
  293    HE2  HIS  36           HE2      HIS  36 -10.674   0.685  -5.885
  294    H    LEU  37           H        LEU  37  -6.147  -2.722  -2.676
  295    HA   LEU  37           HA       LEU  37  -5.149  -0.824  -4.602
  296    HB2  LEU  37           2HB      LEU  37  -5.063  -0.384  -2.172
  297    HB3  LEU  37           3HB      LEU  37  -3.991  -1.757  -1.945
  298    HG   LEU  37           HG       LEU  37  -2.217  -0.599  -3.260
  299   HD11  LEU  37          1HD1      LEU  37  -4.125   1.756  -3.394
  300   HD12  LEU  37          2HD1      LEU  37  -3.600   0.752  -4.749
  301   HD13  LEU  37          3HD1      LEU  37  -2.431   1.759  -3.900
  302   HD21  LEU  37          3HD2      LEU  37  -3.272   1.077  -0.959
  303   HD22  LEU  37          1HD2      LEU  37  -1.633   1.128  -1.614
  304   HD23  LEU  37          2HD2      LEU  37  -2.221  -0.335  -0.831
  305    H    ALA  38           H        ALA  38  -4.037  -3.957  -3.341
  306    HA   ALA  38           HA       ALA  38  -1.521  -4.120  -4.549
  307    HB1  ALA  38           3HB      ALA  38  -2.260  -5.623  -2.756
  308    HB2  ALA  38           1HB      ALA  38  -1.660  -6.542  -4.140
  309    HB3  ALA  38           2HB      ALA  38  -3.399  -6.402  -3.856
  310    H    LYS  39           H        LYS  39  -4.696  -5.253  -5.833
  311    HA   LYS  39           HA       LYS  39  -3.680  -6.385  -8.229
  312    HB2  LYS  39           2HB      LYS  39  -5.986  -6.444  -9.027
  313    HB3  LYS  39           3HB      LYS  39  -5.900  -6.958  -7.347
  314    HG2  LYS  39           2HG      LYS  39  -6.782  -4.829  -6.580
  315    HG3  LYS  39           3HG      LYS  39  -6.724  -4.169  -8.216
  316    HD2  LYS  39           2HD      LYS  39  -8.486  -6.487  -7.319
  317    HD3  LYS  39           3HD      LYS  39  -9.024  -4.817  -7.525
  318    HE2  LYS  39           2HE      LYS  39  -8.377  -4.958  -9.942
  319    HE3  LYS  39           3HE      LYS  39  -7.976  -6.661  -9.703
  320    HZ1  LYS  39           3HZ      LYS  39 -10.206  -6.291 -10.629
  321    HZ2  LYS  39           1HZ      LYS  39 -10.657  -5.489  -9.212
  322    HZ3  LYS  39           2HZ      LYS  39 -10.239  -7.126  -9.161
  323    H    ASN  40           H        ASN  40  -4.740  -3.082  -7.499
  324    HA   ASN  40           HA       ASN  40  -4.706  -1.978 -10.091
  325    HB2  ASN  40           2HB      ASN  40  -4.004  -0.610  -7.457
  326    HB3  ASN  40           3HB      ASN  40  -4.342   0.234  -8.967
  327   HD21  ASN  40          1HD2      ASN  40  -5.729   0.530  -6.478
  328   HD22  ASN  40          2HD2      ASN  40  -7.365   0.065  -6.743
  329    H    LEU  41           H        LEU  41  -2.068  -2.583  -7.823
  330    HA   LEU  41           HA       LEU  41  -0.061  -1.472  -9.721
  331    HB2  LEU  41           2HB      LEU  41   0.162  -1.995  -6.732
  332    HB3  LEU  41           3HB      LEU  41   1.384  -1.223  -7.737
  333    HG   LEU  41           HG       LEU  41  -1.388  -0.076  -7.165
  334   HD11  LEU  41          1HD1      LEU  41   1.291   0.793  -6.051
  335   HD12  LEU  41          2HD1      LEU  41   0.015  -0.045  -5.162
  336   HD13  LEU  41          3HD1      LEU  41  -0.266   1.581  -5.775
  337   HD21  LEU  41          3HD2      LEU  41  -0.553   0.614  -9.370
  338   HD22  LEU  41          1HD2      LEU  41   0.954   1.182  -8.640
  339   HD23  LEU  41          2HD2      LEU  41  -0.578   1.969  -8.248
  340    H    LYS  42           H        LYS  42  -1.367  -4.346  -9.340
  341    HA   LYS  42           HA       LYS  42  -0.847  -6.514  -9.522
  342    HB2  LYS  42           2HB      LYS  42   1.265  -5.129 -11.135
  343    HB3  LYS  42           3HB      LYS  42   1.474  -6.854 -10.878
  344    HG2  LYS  42           2HG      LYS  42   0.326  -6.334 -13.002
  345    HG3  LYS  42           3HG      LYS  42  -0.631  -7.353 -11.934
  346    HD2  LYS  42           2HD      LYS  42  -1.928  -5.305 -11.245
  347    HD3  LYS  42           3HD      LYS  42  -1.022  -4.375 -12.441
  348    HE2  LYS  42           2HE      LYS  42  -1.960  -5.716 -14.247
  349    HE3  LYS  42           3HE      LYS  42  -2.753  -6.788 -13.092
  350    HZ1  LYS  42           3HZ      LYS  42  -3.371  -3.919 -13.528
  351    HZ2  LYS  42           1HZ      LYS  42  -4.090  -4.890 -12.345
  352    HZ3  LYS  42           2HZ      LYS  42  -4.322  -5.234 -13.982
  353    H    LEU  43           H        LEU  43   0.348  -5.030  -7.128
  354    HA   LEU  43           HA       LEU  43   2.554  -6.700  -6.242
  355    HB2  LEU  43           2HB      LEU  43   0.790  -4.713  -4.746
  356    HB3  LEU  43           3HB      LEU  43   2.209  -5.491  -4.058
  357    HG   LEU  43           HG       LEU  43   2.260  -3.581  -6.433
  358   HD11  LEU  43          1HD1      LEU  43   3.255  -1.939  -4.903
  359   HD12  LEU  43          2HD1      LEU  43   3.014  -3.042  -3.545
  360   HD13  LEU  43          3HD1      LEU  43   1.622  -2.384  -4.407
  361   HD21  LEU  43          3HD2      LEU  43   4.109  -5.180  -6.518
  362   HD22  LEU  43          1HD2      LEU  43   4.552  -4.803  -4.849
  363   HD23  LEU  43          2HD2      LEU  43   4.706  -3.575  -6.111
  364    H    THR  44           H        THR  44   2.252  -7.777  -3.984
  365    HA   THR  44           HA       THR  44  -0.329  -9.228  -3.795
  366    HB   THR  44           HB       THR  44   0.787 -10.809  -2.287
  367    HG1  THR  44           HG1      THR  44   3.370  -9.967  -2.644
  368   HG21  THR  44          3HG2      THR  44   0.976 -11.302  -4.692
  369   HG22  THR  44          1HG2      THR  44   2.418 -11.848  -3.829
  370   HG23  THR  44          2HG2      THR  44   2.466 -10.362  -4.779
  371    H    GLU  45           H        GLU  45  -1.319  -9.375  -1.703
  372    HA   GLU  45           HA       GLU  45  -1.670  -7.037  -0.273
  373    HB2  GLU  45           2HB      GLU  45  -2.108  -9.902   0.637
  374    HB3  GLU  45           3HB      GLU  45  -2.695  -8.496   1.523
  375    HG2  GLU  45           2HG      GLU  45  -3.977  -7.834  -0.563
  376    HG3  GLU  45           3HG      GLU  45  -3.528  -9.398  -1.249
  377    H    THR  46           H        THR  46   0.614  -9.678   0.508
  378    HA   THR  46           HA       THR  46   1.518  -8.651   2.992
  379    HB   THR  46           HB       THR  46   3.065 -10.460   1.075
  380    HG1  THR  46           HG1      THR  46   1.772 -11.999   1.738
  381   HG21  THR  46          3HG2      THR  46   4.493  -9.516   2.883
  382   HG22  THR  46          1HG2      THR  46   4.229 -11.251   3.115
  383   HG23  THR  46          2HG2      THR  46   3.337 -10.082   4.087
  384    H    GLN  47           H        GLN  47   2.807  -8.216  -0.335
  385    HA   GLN  47           HA       GLN  47   5.066  -6.639   0.220
  386    HB2  GLN  47           2HB      GLN  47   3.199  -6.654  -2.185
  387    HB3  GLN  47           3HB      GLN  47   4.660  -5.668  -2.135
  388    HG2  GLN  47           2HG      GLN  47   6.057  -7.646  -1.971
  389    HG3  GLN  47           3HG      GLN  47   4.636  -8.688  -1.858
  390   HE21  GLN  47          1HE2      GLN  47   6.452  -6.584  -3.997
  391   HE22  GLN  47          2HE2      GLN  47   5.817  -7.229  -5.457
  392    H    VAL  48           H        VAL  48   1.735  -5.598  -0.505
  393    HA   VAL  48           HA       VAL  48   2.060  -2.824  -0.225
  394    HB   VAL  48           HB       VAL  48  -0.427  -4.533   0.263
  395   HG11  VAL  48          1HG1      VAL  48  -0.740  -2.320   1.282
  396   HG12  VAL  48          2HG1      VAL  48  -1.751  -2.480  -0.153
  397   HG13  VAL  48          3HG1      VAL  48  -0.262  -1.532  -0.223
  398   HG21  VAL  48          3HG2      VAL  48  -1.036  -3.949  -2.062
  399   HG22  VAL  48          1HG2      VAL  48   0.507  -4.801  -2.005
  400   HG23  VAL  48          2HG2      VAL  48   0.474  -3.052  -2.245
  401    H    LYS  49           H        LYS  49   1.018  -5.231   2.227
  402    HA   LYS  49           HA       LYS  49   0.475  -3.431   4.329
  403    HB2  LYS  49           2HB      LYS  49  -0.338  -5.784   4.246
  404    HB3  LYS  49           3HB      LYS  49   1.303  -6.355   4.530
  405    HG2  LYS  49           2HG      LYS  49   1.252  -5.103   6.744
  406    HG3  LYS  49           3HG      LYS  49  -0.457  -4.778   6.447
  407    HD2  LYS  49           2HD      LYS  49  -0.230  -6.712   7.925
  408    HD3  LYS  49           3HD      LYS  49  -0.896  -7.226   6.372
  409    HE2  LYS  49           2HE      LYS  49   1.385  -7.989   5.684
  410    HE3  LYS  49           3HE      LYS  49   1.992  -7.532   7.279
  411    HZ1  LYS  49           3HZ      LYS  49   0.489  -9.142   8.265
  412    HZ2  LYS  49           1HZ      LYS  49   1.501  -9.891   7.139
  413    HZ3  LYS  49           2HZ      LYS  49  -0.102  -9.559   6.742
  414    H    ILE  50           H        ILE  50   3.427  -5.384   3.686
  415    HA   ILE  50           HA       ILE  50   4.906  -4.403   5.906
  416    HB   ILE  50           HB       ILE  50   6.043  -5.630   3.346
  417   HG12  ILE  50          2HG1      ILE  50   5.331  -6.981   6.009
  418   HG13  ILE  50          3HG1      ILE  50   4.450  -7.172   4.497
  419   HG21  ILE  50          1HG2      ILE  50   7.756  -4.402   4.653
  420   HG22  ILE  50          2HG2      ILE  50   8.055  -6.136   4.713
  421   HG23  ILE  50          3HG2      ILE  50   7.330  -5.319   6.100
  422   HD11  ILE  50          3HD1      ILE  50   6.415  -8.232   3.485
  423   HD12  ILE  50          1HD1      ILE  50   5.865  -9.087   4.924
  424   HD13  ILE  50          2HD1      ILE  50   7.292  -8.057   5.009
  425    H    TRP  51           H        TRP  51   4.623  -3.263   2.505
  426    HA   TRP  51           HA       TRP  51   6.552  -1.237   2.536
  427    HB2  TRP  51           2HB      TRP  51   5.285  -1.832   0.477
  428    HB3  TRP  51           3HB      TRP  51   3.826  -1.135   1.164
  429    HD1  TRP  51           HD1      TRP  51   7.122  -0.088  -0.517
  430    HE1  TRP  51           HE1      TRP  51   7.018   2.393  -1.130
  431    HE3  TRP  51           HE3      TRP  51   2.796   1.155   1.876
  432    HZ2  TRP  51           HZ2      TRP  51   5.351   4.603  -0.641
  433    HZ3  TRP  51           HZ3      TRP  51   2.016   3.479   1.780
  434    HH2  TRP  51           HH2      TRP  51   3.272   5.171   0.545
  435    H    PHE  52           H        PHE  52   3.058  -0.888   3.350
  436    HA   PHE  52           HA       PHE  52   3.007   1.623   4.467
  437    HB2  PHE  52           2HB      PHE  52   1.409  -0.873   5.069
  438    HB3  PHE  52           3HB      PHE  52   1.165   0.548   6.077
  439    HD1  PHE  52           HD1      PHE  52   1.395  -0.225   2.383
  440    HD2  PHE  52           HD2      PHE  52  -0.651   1.900   5.471
  441    HE1  PHE  52           HE1      PHE  52  -0.174   0.673   0.727
  442    HE2  PHE  52           HE2      PHE  52  -2.215   2.796   3.806
  443    HZ   PHE  52           HZ       PHE  52  -1.973   2.186   1.434
  444    H    GLN  53           H        GLN  53   3.917  -1.399   6.157
  445    HA   GLN  53           HA       GLN  53   4.415  -0.320   8.723
  446    HB2  GLN  53           2HB      GLN  53   4.137  -2.730   8.335
  447    HB3  GLN  53           3HB      GLN  53   5.601  -2.777   7.360
  448    HG2  GLN  53           2HG      GLN  53   6.932  -2.172   9.386
  449    HG3  GLN  53           3HG      GLN  53   5.447  -2.211  10.339
  450   HE21  GLN  53          1HE2      GLN  53   7.742  -4.160   8.547
  451   HE22  GLN  53          2HE2      GLN  53   7.288  -5.674   9.235
  452    H    ASN  54           H        ASN  54   6.595  -0.681   5.909
  453    HA   ASN  54           HA       ASN  54   9.026   0.152   7.111
  454    HB2  ASN  54           2HB      ASN  54   8.166   0.428   4.198
  455    HB3  ASN  54           3HB      ASN  54   9.819   0.588   4.785
  456   HD21  ASN  54          1HD2      ASN  54   8.674  -1.272   2.832
  457   HD22  ASN  54          2HD2      ASN  54   9.037  -2.854   3.409
  458    H    ARG  55           H        ARG  55   6.503   1.895   5.354
  459    HA   ARG  55           HA       ARG  55   7.645   4.478   5.432
  460    HB2  ARG  55           2HB      ARG  55   4.721   3.729   5.138
  461    HB3  ARG  55           3HB      ARG  55   5.459   5.253   4.649
  462    HG2  ARG  55           2HG      ARG  55   6.051   2.530   3.467
  463    HG3  ARG  55           3HG      ARG  55   5.037   3.768   2.746
  464    HD2  ARG  55           2HD      ARG  55   8.022   4.018   3.253
  465    HD3  ARG  55           3HD      ARG  55   7.258   3.639   1.694
  466    HE   ARG  55           HE       ARG  55   6.464   6.128   3.034
  467   HH11  ARG  55          1HH1      ARG  55   8.234   4.681   0.432
  468   HH12  ARG  55          2HH1      ARG  55   8.456   6.195  -0.369
  469   HH21  ARG  55          2HH2      ARG  55   6.757   8.018   1.976
  470   HH22  ARG  55          1HH2      ARG  55   7.641   8.053   0.488
  471    H    ARG  56           H        ARG  56   5.504   2.788   7.702
  472    HA   ARG  56           HA       ARG  56   5.084   4.990   9.490
  473    HB2  ARG  56           2HB      ARG  56   4.986   1.987   9.971
  474    HB3  ARG  56           3HB      ARG  56   4.528   3.189  11.178
  475    HG2  ARG  56           2HG      ARG  56   2.752   4.014   9.608
  476    HG3  ARG  56           3HG      ARG  56   3.170   2.701   8.503
  477    HD2  ARG  56           2HD      ARG  56   1.204   2.135   9.907
  478    HD3  ARG  56           3HD      ARG  56   2.558   1.038  10.195
  479    HE   ARG  56           HE       ARG  56   2.961   2.077  12.285
  480   HH11  ARG  56          1HH1      ARG  56   0.096   3.315  10.794
  481   HH12  ARG  56          2HH1      ARG  56  -0.480   4.012  12.262
  482   HH21  ARG  56          1HH2      ARG  56   2.212   2.998  14.121
  483   HH22  ARG  56          2HH2      ARG  56   0.695   3.820  14.124
  484    H    TYR  57           H        TYR  57   7.581   2.506   9.192
  485    HA   TYR  57           HA       TYR  57   9.191   3.330  11.411
  486    HB2  TYR  57           2HB      TYR  57   9.440   1.088  10.504
  487    HB3  TYR  57           3HB      TYR  57   9.795   1.713   8.902
  488    HD1  TYR  57           HD1      TYR  57  11.203   2.178  12.390
  489    HD2  TYR  57           HD2      TYR  57  12.030   1.441   8.258
  490    HE1  TYR  57           HE1      TYR  57  13.604   2.070  12.891
  491    HE2  TYR  57           HE2      TYR  57  14.427   1.333   8.760
  492    HH   TYR  57           HH       TYR  57  15.997   2.142  10.460
  493    H    LYS  58           H        LYS  58   8.806   4.484   8.105
  494    HA   LYS  58           HA       LYS  58  11.142   6.223   8.107
  495    HB2  LYS  58           2HB      LYS  58   8.713   6.224   6.268
  496    HB3  LYS  58           3HB      LYS  58  10.124   7.258   6.066
  497    HG2  LYS  58           2HG      LYS  58  11.486   5.070   5.881
  498    HG3  LYS  58           3HG      LYS  58   9.931   4.254   5.705
  499    HD2  LYS  58           2HD      LYS  58  10.851   4.711   3.486
  500    HD3  LYS  58           3HD      LYS  58   9.415   5.709   3.734
  501    HE2  LYS  58           2HE      LYS  58  10.934   7.621   4.364
  502    HE3  LYS  58           3HE      LYS  58  12.313   6.603   3.943
  503    HZ1  LYS  58           3HZ      LYS  58  11.377   6.441   1.684
  504    HZ2  LYS  58           1HZ      LYS  58  11.786   8.022   2.123
  505    HZ3  LYS  58           2HZ      LYS  58  10.168   7.542   2.126
  506    H    THR  59           H        THR  59   7.850   6.389   9.234
  507    HA   THR  59           HA       THR  59   7.540   9.247   9.360
  508    HB   THR  59           HB       THR  59   6.106   7.033  10.921
  509    HG1  THR  59           HG1      THR  59   5.917   7.410   8.427
  510   HG21  THR  59          3HG2      THR  59   5.868   9.198  12.092
  511   HG22  THR  59          1HG2      THR  59   4.335   8.712  11.364
  512   HG23  THR  59          2HG2      THR  59   5.318   9.960  10.599
  513    H    LYS  60           H        LYS  60   8.570  10.570  10.807
  514    HA   LYS  60           HA       LYS  60  10.637   9.577  12.401
  515    HB2  LYS  60           2HB      LYS  60  10.957  11.889  13.216
  516    HB3  LYS  60           3HB      LYS  60  10.790  11.792  11.469
  517    HG2  LYS  60           2HG      LYS  60   8.467  12.612  11.640
  518    HG3  LYS  60           3HG      LYS  60   8.613  12.688  13.396
  519    HD2  LYS  60           2HD      LYS  60   8.906  14.928  12.432
  520    HD3  LYS  60           3HD      LYS  60  10.411  14.386  13.179
  521    HE2  LYS  60           2HE      LYS  60  11.304  13.792  10.947
  522    HE3  LYS  60           3HE      LYS  60   9.791  14.314  10.202
  523    HZ1  LYS  60           3HZ      LYS  60  10.219  16.552  11.018
  524    HZ2  LYS  60           1HZ      LYS  60  11.482  16.016  10.033
  525    HZ3  LYS  60           2HZ      LYS  60  11.671  16.043  11.709
  526    H    ARG  61           H        ARG  61  10.413   8.368  14.119
  527    HA   ARG  61           HA       ARG  61   8.284   8.467  16.024
  528    HB2  ARG  61           2HB      ARG  61  11.018   7.119  16.177
  529    HB3  ARG  61           3HB      ARG  61   9.694   6.846  17.306
  530    HG2  ARG  61           2HG      ARG  61   8.307   5.917  15.491
  531    HG3  ARG  61           3HG      ARG  61   9.607   6.222  14.334
  532    HD2  ARG  61           2HD      ARG  61   9.745   4.328  16.710
  533    HD3  ARG  61           3HD      ARG  61   9.554   3.858  15.016
  534    HE   ARG  61           HE       ARG  61  11.888   5.425  15.293
  535   HH11  ARG  61          1HH1      ARG  61  10.742   2.266  16.104
  536   HH12  ARG  61          2HH1      ARG  61  12.326   1.583  16.094
  537   HH21  ARG  61          1HH2      ARG  61  13.896   4.520  15.289
  538   HH22  ARG  61          2HH2      ARG  61  14.086   2.836  15.635
  539    H    LYS  62           H        LYS  62   8.180  10.564  16.718
  540    HA   LYS  62           HA       LYS  62   9.947  11.689  18.672
  541    HB2  LYS  62           2HB      LYS  62  11.376  12.116  16.713
  542    HB3  LYS  62           3HB      LYS  62  10.027  12.788  15.814
  543    HG2  LYS  62           2HG      LYS  62  11.430  14.615  16.511
  544    HG3  LYS  62           3HG      LYS  62   9.941  14.696  17.451
  545    HD2  LYS  62           2HD      LYS  62  11.857  15.170  18.885
  546    HD3  LYS  62           3HD      LYS  62  11.114  13.648  19.383
  547    HE2  LYS  62           2HE      LYS  62  13.591  13.524  19.378
  548    HE3  LYS  62           3HE      LYS  62  12.881  12.386  18.237
  549    HZ1  LYS  62           3HZ      LYS  62  13.389  13.905  16.446
  550    HZ2  LYS  62           1HZ      LYS  62  14.790  13.534  17.312
  551    HZ3  LYS  62           2HZ      LYS  62  14.032  15.027  17.530
  552    H    GLN  63           H        GLN  63   7.561  12.314  16.128
  553    HA   GLN  63           HA       GLN  63   6.194  14.490  17.294
  554    HB2  GLN  63           2HB      GLN  63   4.357  13.930  15.728
  555    HB3  GLN  63           3HB      GLN  63   5.929  13.913  14.933
  556    HG2  GLN  63           2HG      GLN  63   5.961  11.453  15.016
  557    HG3  GLN  63           3HG      GLN  63   4.414  11.450  15.861
  558   HE21  GLN  63          1HE2      GLN  63   2.525  11.933  14.696
  559   HE22  GLN  63          2HE2      GLN  63   2.480  11.909  12.971
  560    H    LEU  64           H        LEU  64   3.980  14.484  18.166
  561    HA   LEU  64           HA       LEU  64   3.719  13.130  20.565
  562    HB2  LEU  64           2HB      LEU  64   2.604  15.261  20.006
  563    HB3  LEU  64           3HB      LEU  64   1.547  14.427  18.879
  564    HG   LEU  64           HG       LEU  64   0.537  13.165  20.795
  565   HD11  LEU  64          1HD1      LEU  64   0.948  13.890  23.109
  566   HD12  LEU  64          2HD1      LEU  64   2.244  14.949  22.551
  567   HD13  LEU  64          3HD1      LEU  64   2.391  13.200  22.367
  568   HD21  LEU  64          3HD2      LEU  64  -0.782  15.030  21.708
  569   HD22  LEU  64          1HD2      LEU  64  -0.569  15.181  19.963
  570   HD23  LEU  64          2HD2      LEU  64   0.384  16.185  21.060
  571    H    SER  65           H        SER  65   1.841  12.488  17.582
  572    HA   SER  65           HA       SER  65   0.937   9.880  18.585
  573    HB2  SER  65           2HB      SER  65   0.147  11.413  16.073
  574    HB3  SER  65           3HB      SER  65  -0.568   9.891  16.605
  575    HG   SER  65           HG       SER  65  -0.698  11.597  18.640
  576    H    SER  66           H        SER  66   2.937   8.770  18.462
  577    HA   SER  66           HA       SER  66   3.278   7.379  15.946
  578    HB2  SER  66           2HB      SER  66   5.777   7.691  15.839
  579    HB3  SER  66           3HB      SER  66   4.885   9.179  15.535
  580    HG   SER  66           HG       SER  66   5.350   9.846  17.620
  581    H    GLU  67           H        GLU  67   5.346   5.769  16.364
  582    HA   GLU  67           HA       GLU  67   4.268   4.095  18.492
  583    HB2  GLU  67           2HB      GLU  67   6.273   3.473  16.287
  584    HB3  GLU  67           3HB      GLU  67   5.561   2.281  17.379
  585    HG2  GLU  67           2HG      GLU  67   3.347   2.675  16.481
  586    HG3  GLU  67           3HG      GLU  67   3.916   4.042  15.531
  587    H    LEU  68           H        LEU  68   5.082   4.875  20.426
  588    HA   LEU  68           HA       LEU  68   7.925   4.237  20.971
  589    HB2  LEU  68           2HB      LEU  68   8.035   5.888  22.735
  590    HB3  LEU  68           3HB      LEU  68   7.567   6.671  21.244
  591    HG   LEU  68           HG       LEU  68   5.609   6.017  23.491
  592   HD11  LEU  68          1HD1      LEU  68   5.710   8.402  24.107
  593   HD12  LEU  68          2HD1      LEU  68   7.005   8.655  22.933
  594   HD13  LEU  68          3HD1      LEU  68   7.266   7.601  24.324
  595   HD21  LEU  68          3HD2      LEU  68   4.128   7.675  22.366
  596   HD22  LEU  68          1HD2      LEU  68   4.466   6.271  21.356
  597   HD23  LEU  68          2HD2      LEU  68   5.293   7.796  21.045
  598    H    GLY  69           H        GLY  69   8.160   2.487  22.207
  599    HA2  GLY  69           2HA      GLY  69   5.874   1.416  23.784
  600    HA3  GLY  69           3HA      GLY  69   7.126   0.455  23.007
  Start of MODEL    7
    1    H1   MET   1           1H       MET   1  28.976   8.104   1.268
    2    H2   MET   1           2H       MET   1  27.559   8.045   0.350
    3    H3   MET   1           3H       MET   1  28.342   6.618   0.782
    4    HA   MET   1           HA       MET   1  27.889   6.957   3.085
    5    HB2  MET   1           2HB      MET   1  27.952   9.454   3.006
    6    HB3  MET   1           3HB      MET   1  26.411   9.471   2.155
    7    HG2  MET   1           2HG      MET   1  26.094  10.020   4.506
    8    HG3  MET   1           3HG      MET   1  25.318   8.476   4.141
    9    HE1  MET   1           3HE      MET   1  26.610   8.093   7.869
   10    HE2  MET   1           1HE      MET   1  25.191   8.016   6.826
   11    HE3  MET   1           2HE      MET   1  25.996   9.560   7.108
   12    H    GLY   2           H        GLY   2  25.338   8.149   0.841
   13    HA2  GLY   2           2HA      GLY   2  23.490   6.027   1.737
   14    HA3  GLY   2           3HA      GLY   2  23.074   7.475   0.838
   15    H    HIS   3           H        HIS   3  22.006   6.581  -0.861
   16    HA   HIS   3           HA       HIS   3  21.565   5.580  -2.832
   17    HB2  HIS   3           2HB      HIS   3  24.597   5.661  -3.159
   18    HB3  HIS   3           3HB      HIS   3  23.454   5.341  -4.464
   19    HD1  HIS   3           HD1      HIS   3  22.046   7.384  -5.322
   20    HD2  HIS   3           HD2      HIS   3  24.856   8.359  -2.419
   21    HE1  HIS   3           HE1      HIS   3  22.203   9.885  -5.348
   22    HE2  HIS   3           HE2      HIS   3  23.927  10.449  -3.620
   23    H    HIS   4           H        HIS   4  21.552   3.862  -0.657
   24    HA   HIS   4           HA       HIS   4  22.939   1.400  -1.274
   25    HB2  HIS   4           2HB      HIS   4  20.772   1.953   0.795
   26    HB3  HIS   4           3HB      HIS   4  21.734   0.478   0.690
   27    HD1  HIS   4           HD1      HIS   4  21.582   3.099   2.853
   28    HD2  HIS   4           HD2      HIS   4  24.744   1.650   0.581
   29    HE1  HIS   4           HE1      HIS   4  23.657   3.866   4.016
   30    HE2  HIS   4           HE2      HIS   4  25.544   3.135   2.533
   31    H    HIS   5           H        HIS   5  22.276   0.350  -3.062
   32    HA   HIS   5           HA       HIS   5  19.486   0.065  -3.841
   33    HB2  HIS   5           2HB      HIS   5  21.240   0.333  -5.570
   34    HB3  HIS   5           3HB      HIS   5  22.044  -1.130  -5.011
   35    HD1  HIS   5           HD1      HIS   5  18.783  -0.059  -6.636
   36    HD2  HIS   5           HD2      HIS   5  21.160  -3.438  -6.218
   37    HE1  HIS   5           HE1      HIS   5  17.737  -1.797  -8.089
   38    HE2  HIS   5           HE2      HIS   5  19.045  -3.888  -7.617
   39    H    HIS   6           H        HIS   6  18.232  -1.457  -2.922
   40    HA   HIS   6           HA       HIS   6  19.307  -3.549  -1.228
   41    HB2  HIS   6           2HB      HIS   6  16.443  -2.763  -1.917
   42    HB3  HIS   6           3HB      HIS   6  16.864  -4.027  -0.765
   43    HD1  HIS   6           HD1      HIS   6  16.783  -3.225   1.566
   44    HD2  HIS   6           HD2      HIS   6  17.814  -0.157  -1.027
   45    HE1  HIS   6           HE1      HIS   6  17.016  -1.190   2.998
   46    HE2  HIS   6           HE2      HIS   6  17.435   0.675   1.377
   47    H    HIS   7           H        HIS   7  19.005  -5.794  -1.484
   48    HA   HIS   7           HA       HIS   7  18.781  -6.802  -4.207
   49    HB2  HIS   7           2HB      HIS   7  19.256  -8.252  -1.575
   50    HB3  HIS   7           3HB      HIS   7  19.251  -9.040  -3.154
   51    HD1  HIS   7           HD1      HIS   7  21.033  -7.669  -4.911
   52    HD2  HIS   7           HD2      HIS   7  21.807  -7.641  -0.832
   53    HE1  HIS   7           HE1      HIS   7  23.463  -7.097  -4.691
   54    HE2  HIS   7           HE2      HIS   7  23.937  -7.246  -2.230
   55    H    HIS   8           H        HIS   8  16.765  -6.697  -1.318
   56    HA   HIS   8           HA       HIS   8  14.628  -8.314  -2.332
   57    HB2  HIS   8           2HB      HIS   8  14.797  -7.850   0.078
   58    HB3  HIS   8           3HB      HIS   8  14.617  -6.122  -0.207
   59    HD1  HIS   8           HD1      HIS   8  12.600  -9.319  -0.681
   60    HD2  HIS   8           HD2      HIS   8  12.006  -5.254  -0.048
   61    HE1  HIS   8           HE1      HIS   8  10.126  -9.038  -0.383
   62    HE2  HIS   8           HE2      HIS   8   9.804  -6.595   0.093
   63    H    SER   9           H        SER   9  13.368  -7.816  -4.017
   64    HA   SER   9           HA       SER   9  13.501  -5.470  -5.530
   65    HB2  SER   9           2HB      SER   9  11.287  -7.570  -5.498
   66    HB3  SER   9           3HB      SER   9  11.531  -6.365  -6.768
   67    HG   SER   9           HG       SER   9  12.835  -7.762  -7.611
   68    H    HIS  10           H        HIS  10  12.459  -3.560  -5.492
   69    HA   HIS  10           HA       HIS  10  10.324  -3.094  -3.478
   70    HB2  HIS  10           2HB      HIS  10  11.142  -0.815  -3.233
   71    HB3  HIS  10           3HB      HIS  10  12.490  -1.920  -3.013
   72    HD1  HIS  10           HD1      HIS  10  13.984  -2.216  -5.356
   73    HD2  HIS  10           HD2      HIS  10  11.744   1.240  -4.912
   74    HE1  HIS  10           HE1      HIS  10  14.964  -0.573  -6.961
   75    HE2  HIS  10           HE2      HIS  10  13.683   1.550  -6.580
   76    H    MET  11           H        MET  11   8.800  -1.371  -3.998
   77    HA   MET  11           HA       MET  11   7.502  -1.651  -6.458
   78    HB2  MET  11           2HB      MET  11   7.233   0.565  -4.394
   79    HB3  MET  11           3HB      MET  11   6.099   0.284  -5.715
   80    HG2  MET  11           2HG      MET  11   5.178  -0.653  -3.720
   81    HG3  MET  11           3HG      MET  11   5.651  -1.981  -4.778
   82    HE1  MET  11           3HE      MET  11   6.270  -3.483  -1.242
   83    HE2  MET  11           1HE      MET  11   5.514  -3.723  -2.816
   84    HE3  MET  11           2HE      MET  11   4.958  -2.425  -1.758
   85    H    SER  12           H        SER  12   6.993  -0.030  -8.068
   86    HA   SER  12           HA       SER  12   9.345   1.388  -9.073
   87    HB2  SER  12           2HB      SER  12   7.941   0.138 -10.667
   88    HB3  SER  12           3HB      SER  12   6.542   1.123 -10.243
   89    HG   SER  12           HG       SER  12   7.295   2.727 -11.420
   90    H    HIS  13           H        HIS  13   8.995   3.722  -9.944
   91    HA   HIS  13           HA       HIS  13   8.802   5.346  -7.676
   92    HB2  HIS  13           2HB      HIS  13  10.157   5.830  -9.747
   93    HB3  HIS  13           3HB      HIS  13   8.678   6.325 -10.558
   94    HD1  HIS  13           HD1      HIS  13  11.177   7.450  -8.037
   95    HD2  HIS  13           HD2      HIS  13   7.649   8.849  -9.720
   96    HE1  HIS  13           HE1      HIS  13  11.041   9.867  -7.399
   97    HE2  HIS  13           HE2      HIS  13   8.795  10.617  -8.240
   98    H    THR  14           H        THR  14   6.508   5.405 -10.484
   99    HA   THR  14           HA       THR  14   4.604   7.135  -9.281
  100    HB   THR  14           HB       THR  14   4.064   5.090 -11.480
  101    HG1  THR  14           HG1      THR  14   4.670   6.721 -12.903
  102   HG21  THR  14          3HG2      THR  14   2.649   7.711 -10.835
  103   HG22  THR  14          1HG2      THR  14   1.987   6.093 -10.574
  104   HG23  THR  14          2HG2      THR  14   2.301   6.665 -12.213
  105    H    GLN  15           H        GLN  15   5.005   3.646  -9.155
  106    HA   GLN  15           HA       GLN  15   2.489   2.930  -8.052
  107    HB2  GLN  15           2HB      GLN  15   3.968   1.315  -9.130
  108    HB3  GLN  15           3HB      GLN  15   5.204   1.567  -7.901
  109    HG2  GLN  15           2HG      GLN  15   3.860   0.499  -6.213
  110    HG3  GLN  15           3HG      GLN  15   2.449   0.459  -7.276
  111   HE21  GLN  15          1HE2      GLN  15   2.396  -1.054  -8.954
  112   HE22  GLN  15          2HE2      GLN  15   3.437  -2.424  -8.965
  113    H    VAL  16           H        VAL  16   5.621   3.708  -6.519
  114    HA   VAL  16           HA       VAL  16   4.864   3.528  -3.817
  115    HB   VAL  16           HB       VAL  16   6.969   5.361  -5.090
  116   HG11  VAL  16          1HG1      VAL  16   6.635   4.623  -2.147
  117   HG12  VAL  16          2HG1      VAL  16   6.386   6.217  -2.861
  118   HG13  VAL  16          3HG1      VAL  16   8.001   5.512  -2.830
  119   HG21  VAL  16          3HG2      VAL  16   7.313   2.637  -3.752
  120   HG22  VAL  16          1HG2      VAL  16   8.614   3.648  -4.390
  121   HG23  VAL  16          2HG2      VAL  16   7.416   2.961  -5.483
  122    H    ILE  17           H        ILE  17   4.644   6.248  -6.148
  123    HA   ILE  17           HA       ILE  17   3.647   8.275  -4.496
  124    HB   ILE  17           HB       ILE  17   3.043   7.715  -7.436
  125   HG12  ILE  17          2HG1      ILE  17   4.987   9.694  -6.142
  126   HG13  ILE  17          3HG1      ILE  17   5.432   8.179  -6.915
  127   HG21  ILE  17          1HG2      ILE  17   2.254  10.055  -7.646
  128   HG22  ILE  17          2HG2      ILE  17   2.409  10.269  -5.901
  129   HG23  ILE  17          3HG2      ILE  17   1.234   9.125  -6.548
  130   HD11  ILE  17          3HD1      ILE  17   4.235  10.591  -8.277
  131   HD12  ILE  17          1HD1      ILE  17   4.615   9.058  -9.069
  132   HD13  ILE  17          2HD1      ILE  17   5.904  10.036  -8.370
  133    H    GLU  18           H        GLU  18   1.800   5.809  -6.322
  134    HA   GLU  18           HA       GLU  18  -0.796   6.592  -5.533
  135    HB2  GLU  18           2HB      GLU  18   0.270   3.898  -6.475
  136    HB3  GLU  18           3HB      GLU  18  -1.446   4.262  -6.285
  137    HG2  GLU  18           2HG      GLU  18   0.477   5.652  -8.177
  138    HG3  GLU  18           3HG      GLU  18  -0.748   4.464  -8.628
  139    H    LEU  19           H        LEU  19   1.423   4.196  -4.174
  140    HA   LEU  19           HA       LEU  19  -0.171   3.269  -2.041
  141    HB2  LEU  19           2HB      LEU  19   2.833   3.456  -2.435
  142    HB3  LEU  19           3HB      LEU  19   2.124   2.708  -1.016
  143    HG   LEU  19           HG       LEU  19   1.585   1.724  -3.846
  144   HD11  LEU  19          1HD1      LEU  19   3.974   1.500  -3.375
  145   HD12  LEU  19          2HD1      LEU  19   3.187  -0.076  -3.406
  146   HD13  LEU  19          3HD1      LEU  19   3.620   0.664  -1.860
  147   HD21  LEU  19          3HD2      LEU  19   0.785  -0.310  -2.727
  148   HD22  LEU  19          1HD2      LEU  19  -0.133   1.099  -2.201
  149   HD23  LEU  19          2HD2      LEU  19   1.103   0.410  -1.146
  150    H    GLU  20           H        GLU  20   2.036   6.102  -2.276
  151    HA   GLU  20           HA       GLU  20   1.967   6.848   0.477
  152    HB2  GLU  20           2HB      GLU  20   2.750   8.408  -2.016
  153    HB3  GLU  20           3HB      GLU  20   2.859   9.095  -0.398
  154    HG2  GLU  20           2HG      GLU  20   4.475   7.365   0.248
  155    HG3  GLU  20           3HG      GLU  20   4.340   6.618  -1.338
  156    H    ARG  21           H        ARG  21   0.059   7.811  -2.346
  157    HA   ARG  21           HA       ARG  21  -1.538   9.814  -1.194
  158    HB2  ARG  21           2HB      ARG  21  -2.228   7.810  -3.384
  159    HB3  ARG  21           3HB      ARG  21  -3.205   9.226  -2.989
  160    HG2  ARG  21           2HG      ARG  21  -1.381  10.719  -3.650
  161    HG3  ARG  21           3HG      ARG  21  -0.324   9.337  -3.952
  162    HD2  ARG  21           2HD      ARG  21  -1.221  10.206  -6.055
  163    HD3  ARG  21           3HD      ARG  21  -1.830   8.574  -5.752
  164    HE   ARG  21           HE       ARG  21  -3.543  10.777  -4.888
  165   HH11  ARG  21          1HH1      ARG  21  -2.918   8.413  -7.368
  166   HH12  ARG  21          2HH1      ARG  21  -4.493   8.591  -8.059
  167   HH21  ARG  21          1HH2      ARG  21  -5.523  10.975  -5.797
  168   HH22  ARG  21          2HH2      ARG  21  -5.948  10.042  -7.187
  169    H    LYS  22           H        LYS  22  -2.159   6.306  -1.521
  170    HA   LYS  22           HA       LYS  22  -4.556   6.185  -0.045
  171    HB2  LYS  22           2HB      LYS  22  -3.671   4.408  -1.601
  172    HB3  LYS  22           3HB      LYS  22  -2.466   3.985  -0.391
  173    HG2  LYS  22           2HG      LYS  22  -4.321   2.406  -0.324
  174    HG3  LYS  22           3HG      LYS  22  -4.268   3.335   1.178
  175    HD2  LYS  22           2HD      LYS  22  -6.108   4.773   0.385
  176    HD3  LYS  22           3HD      LYS  22  -6.131   3.925  -1.165
  177    HE2  LYS  22           2HE      LYS  22  -6.839   1.864  -0.047
  178    HE3  LYS  22           3HE      LYS  22  -6.740   2.660   1.527
  179    HZ1  LYS  22           3HZ      LYS  22  -8.549   3.476  -0.674
  180    HZ2  LYS  22           1HZ      LYS  22  -8.487   4.143   0.874
  181    HZ3  LYS  22           2HZ      LYS  22  -9.004   2.551   0.663
  182    H    PHE  23           H        PHE  23  -1.186   5.827   0.944
  183    HA   PHE  23           HA       PHE  23  -1.473   5.176   3.662
  184    HB2  PHE  23           2HB      PHE  23   0.637   4.992   2.296
  185    HB3  PHE  23           3HB      PHE  23   0.776   6.743   2.321
  186    HD1  PHE  23           HD2      PHE  23   0.584   3.793   4.625
  187    HD2  PHE  23           HD1      PHE  23   2.084   7.751   4.035
  188    HE1  PHE  23           HE2      PHE  23   1.905   3.590   6.682
  189    HE2  PHE  23           HE1      PHE  23   3.408   7.543   6.092
  190    HZ   PHE  23           HZ       PHE  23   3.321   5.468   7.420
  191    H    SER  24           H        SER  24  -1.404   8.317   1.996
  192    HA   SER  24           HA       SER  24  -1.379  10.033   4.228
  193    HB2  SER  24           2HB      SER  24  -2.565  10.498   1.459
  194    HB3  SER  24           3HB      SER  24  -2.331  11.761   2.670
  195    HG   SER  24           HG       SER  24  -0.511  10.526   1.024
  196    H    HIS  25           H        HIS  25  -4.145   8.542   2.459
  197    HA   HIS  25           HA       HIS  25  -6.126  10.010   3.972
  198    HB2  HIS  25           2HB      HIS  25  -6.453   7.643   2.079
  199    HB3  HIS  25           3HB      HIS  25  -7.759   8.654   2.696
  200    HD1  HIS  25           HD1      HIS  25  -7.242  11.389   2.040
  201    HD2  HIS  25           HD2      HIS  25  -5.760   8.415  -0.431
  202    HE1  HIS  25           HE1      HIS  25  -6.746  12.514  -0.137
  203    HE2  HIS  25           HE2      HIS  25  -5.746  10.721  -1.578
  204    H    GLN  26           H        GLN  26  -4.612   6.820   4.141
  205    HA   GLN  26           HA       GLN  26  -5.507   6.446   6.863
  206    HB2  GLN  26           2HB      GLN  26  -6.597   4.248   6.523
  207    HB3  GLN  26           3HB      GLN  26  -7.462   5.540   5.697
  208    HG2  GLN  26           2HG      GLN  26  -6.390   4.843   3.549
  209    HG3  GLN  26           3HG      GLN  26  -5.616   3.507   4.408
  210   HE21  GLN  26          1HE2      GLN  26  -6.915   1.765   5.081
  211   HE22  GLN  26          2HE2      GLN  26  -8.503   1.507   4.460
  212    H    LYS  27           H        LYS  27  -4.096   5.274   8.018
  213    HA   LYS  27           HA       LYS  27  -1.580   4.404   6.825
  214    HB2  LYS  27           2HB      LYS  27  -2.535   4.467   9.719
  215    HB3  LYS  27           3HB      LYS  27  -0.879   4.146   9.214
  216    HG2  LYS  27           2HG      LYS  27  -2.406   6.744   8.791
  217    HG3  LYS  27           3HG      LYS  27  -1.149   6.468  10.003
  218    HD2  LYS  27           2HD      LYS  27   0.537   6.181   8.255
  219    HD3  LYS  27           3HD      LYS  27  -0.694   6.272   6.993
  220    HE2  LYS  27           2HE      LYS  27   0.042   8.534   8.882
  221    HE3  LYS  27           3HE      LYS  27   0.581   8.382   7.210
  222    HZ1  LYS  27           3HZ      LYS  27  -1.705   8.541   6.485
  223    HZ2  LYS  27           1HZ      LYS  27  -1.300   9.885   7.425
  224    HZ3  LYS  27           2HZ      LYS  27  -2.245   8.646   8.079
  225    H    TYR  28           H        TYR  28  -4.422   2.989   8.294
  226    HA   TYR  28           HA       TYR  28  -3.318   0.238   8.125
  227    HB2  TYR  28           2HB      TYR  28  -5.738   1.285   9.677
  228    HB3  TYR  28           3HB      TYR  28  -5.157  -0.380   9.685
  229    HD1  TYR  28           HD2      TYR  28  -2.930  -0.913  10.748
  230    HD2  TYR  28           HD1      TYR  28  -4.685   2.967  11.090
  231    HE1  TYR  28           HE2      TYR  28  -1.439  -0.399  12.623
  232    HE2  TYR  28           HE1      TYR  28  -3.203   3.479  12.972
  233    HH   TYR  28           HH       TYR  28  -1.901   2.209  14.708
  234    H    LEU  29           H        LEU  29  -3.956  -0.899   6.370
  235    HA   LEU  29           HA       LEU  29  -6.516  -0.347   5.014
  236    HB2  LEU  29           2HB      LEU  29  -4.289  -2.296   4.290
  237    HB3  LEU  29           3HB      LEU  29  -5.701  -1.946   3.302
  238    HG   LEU  29           HG       LEU  29  -3.469   0.012   3.970
  239   HD11  LEU  29          1HD1      LEU  29  -2.867  -0.168   1.608
  240   HD12  LEU  29          2HD1      LEU  29  -4.121  -1.385   1.363
  241   HD13  LEU  29          3HD1      LEU  29  -2.749  -1.729   2.418
  242   HD21  LEU  29          3HD2      LEU  29  -4.560   1.521   2.354
  243   HD22  LEU  29          1HD2      LEU  29  -5.596   1.194   3.742
  244   HD23  LEU  29          2HD2      LEU  29  -5.907   0.392   2.201
  245    H    SER  30           H        SER  30  -8.248  -1.716   5.119
  246    HA   SER  30           HA       SER  30  -8.250  -4.076   6.818
  247    HB2  SER  30           2HB      SER  30 -10.393  -3.002   4.923
  248    HB3  SER  30           3HB      SER  30 -10.629  -4.294   6.105
  249    HG   SER  30           HG       SER  30 -10.042  -2.726   7.728
  250    H    ALA  31           H        ALA  31  -9.249  -6.169   5.774
  251    HA   ALA  31           HA       ALA  31  -7.436  -7.285   3.982
  252    HB1  ALA  31           3HB      ALA  31 -10.208  -8.321   4.640
  253    HB2  ALA  31           1HB      ALA  31  -8.749  -8.604   5.589
  254    HB3  ALA  31           2HB      ALA  31  -8.879  -9.262   3.956
  255    HA   PRO  32           HA       PRO  32 -10.628  -6.826   0.289
  256    HB2  PRO  32           2HB      PRO  32 -12.517  -4.823   0.431
  257    HB3  PRO  32           3HB      PRO  32 -12.827  -6.481   0.990
  258    HG2  PRO  32           2HG      PRO  32 -12.025  -4.071   2.609
  259    HG3  PRO  32           3HG      PRO  32 -13.308  -5.265   2.932
  260    HD2  PRO  32           2HD      PRO  32 -10.915  -5.431   4.162
  261    HD3  PRO  32           3HD      PRO  32 -11.794  -6.892   3.672
  262    H    GLU  33           H        GLU  33  -9.655  -3.914   2.100
  263    HA   GLU  33           HA       GLU  33  -9.365  -2.163  -0.157
  264    HB2  GLU  33           2HB      GLU  33  -8.217  -1.898   2.661
  265    HB3  GLU  33           3HB      GLU  33  -8.392  -0.599   1.477
  266    HG2  GLU  33           2HG      GLU  33 -10.880  -0.944   1.563
  267    HG3  GLU  33           3HG      GLU  33 -10.633  -2.113   2.860
  268    H    ARG  34           H        ARG  34  -7.096  -4.017   1.862
  269    HA   ARG  34           HA       ARG  34  -4.673  -3.170   0.649
  270    HB2  ARG  34           2HB      ARG  34  -4.820  -4.206   2.902
  271    HB3  ARG  34           3HB      ARG  34  -5.299  -5.736   2.173
  272    HG2  ARG  34           2HG      ARG  34  -3.074  -5.842   1.030
  273    HG3  ARG  34           3HG      ARG  34  -2.609  -4.349   1.855
  274    HD2  ARG  34           2HD      ARG  34  -1.732  -6.386   2.984
  275    HD3  ARG  34           3HD      ARG  34  -2.802  -5.440   4.030
  276    HE   ARG  34           HE       ARG  34  -3.799  -7.794   2.539
  277   HH11  ARG  34          1HH1      ARG  34  -3.387  -6.189   5.591
  278   HH12  ARG  34          2HH1      ARG  34  -4.371  -7.330   6.433
  279   HH21  ARG  34          1HH2      ARG  34  -5.044  -9.213   3.620
  280   HH22  ARG  34          2HH2      ARG  34  -5.294  -9.046   5.326
  281    H    ALA  35           H        ALA  35  -6.820  -5.956   0.094
  282    HA   ALA  35           HA       ALA  35  -5.360  -7.224  -1.972
  283    HB1  ALA  35           3HB      ALA  35  -7.465  -8.418  -2.452
  284    HB2  ALA  35           1HB      ALA  35  -8.353  -7.275  -1.433
  285    HB3  ALA  35           2HB      ALA  35  -7.153  -8.352  -0.719
  286    H    HIS  36           H        HIS  36  -7.949  -4.761  -2.070
  287    HA   HIS  36           HA       HIS  36  -8.265  -4.677  -4.888
  288    HB2  HIS  36           2HB      HIS  36  -9.932  -3.827  -3.191
  289    HB3  HIS  36           3HB      HIS  36  -8.886  -2.443  -2.904
  290    HD1  HIS  36           HD1      HIS  36 -11.213  -3.911  -5.452
  291    HD2  HIS  36           HD2      HIS  36  -9.002  -0.445  -4.876
  292    HE1  HIS  36           HE1      HIS  36 -11.996  -2.321  -7.217
  293    HE2  HIS  36           HE2      HIS  36 -10.744  -0.192  -6.774
  294    H    LEU  37           H        LEU  37  -6.295  -2.714  -2.662
  295    HA   LEU  37           HA       LEU  37  -5.159  -0.935  -4.571
  296    HB2  LEU  37           2HB      LEU  37  -5.187  -0.481  -2.150
  297    HB3  LEU  37           3HB      LEU  37  -4.140  -1.859  -1.855
  298    HG   LEU  37           HG       LEU  37  -2.289  -0.701  -3.079
  299   HD11  LEU  37          1HD1      LEU  37  -3.610   0.706  -4.591
  300   HD12  LEU  37          2HD1      LEU  37  -2.447   1.663  -3.680
  301   HD13  LEU  37          3HD1      LEU  37  -4.156   1.687  -3.229
  302   HD21  LEU  37          3HD2      LEU  37  -2.410  -0.508  -0.652
  303   HD22  LEU  37          1HD2      LEU  37  -3.468   0.898  -0.783
  304   HD23  LEU  37          2HD2      LEU  37  -1.799   0.989  -1.350
  305    H    ALA  38           H        ALA  38  -4.062  -4.039  -3.214
  306    HA   ALA  38           HA       ALA  38  -1.546  -4.264  -4.398
  307    HB1  ALA  38           3HB      ALA  38  -1.723  -6.678  -3.958
  308    HB2  ALA  38           1HB      ALA  38  -3.465  -6.513  -3.701
  309    HB3  ALA  38           2HB      ALA  38  -2.331  -5.737  -2.595
  310    H    LYS  39           H        LYS  39  -4.650  -5.610  -5.629
  311    HA   LYS  39           HA       LYS  39  -3.523  -6.817  -7.933
  312    HB2  LYS  39           2HB      LYS  39  -5.814  -7.254  -8.645
  313    HB3  LYS  39           3HB      LYS  39  -5.634  -7.581  -6.929
  314    HG2  LYS  39           2HG      LYS  39  -6.685  -5.344  -6.456
  315    HG3  LYS  39           3HG      LYS  39  -6.983  -5.171  -8.185
  316    HD2  LYS  39           2HD      LYS  39  -8.091  -7.413  -6.451
  317    HD3  LYS  39           3HD      LYS  39  -8.975  -5.951  -6.878
  318    HE2  LYS  39           2HE      LYS  39  -9.744  -7.680  -8.342
  319    HE3  LYS  39           3HE      LYS  39  -8.723  -6.624  -9.312
  320    HZ1  LYS  39           3HZ      LYS  39  -8.404  -9.046  -9.674
  321    HZ2  LYS  39           1HZ      LYS  39  -7.775  -9.173  -8.111
  322    HZ3  LYS  39           2HZ      LYS  39  -6.985  -8.227  -9.274
  323    H    ASN  40           H        ASN  40  -5.074  -3.639  -7.478
  324    HA   ASN  40           HA       ASN  40  -5.102  -2.787 -10.173
  325    HB2  ASN  40           2HB      ASN  40  -4.991  -1.198  -7.578
  326    HB3  ASN  40           3HB      ASN  40  -5.119  -0.425  -9.157
  327   HD21  ASN  40          1HD2      ASN  40  -7.143   0.452  -8.626
  328   HD22  ASN  40          2HD2      ASN  40  -8.574  -0.509  -8.559
  329    H    LEU  41           H        LEU  41  -2.529  -2.692  -7.756
  330    HA   LEU  41           HA       LEU  41  -0.641  -1.394  -9.634
  331    HB2  LEU  41           2HB      LEU  41  -0.331  -2.087  -6.686
  332    HB3  LEU  41           3HB      LEU  41   0.857  -1.227  -7.655
  333    HG   LEU  41           HG       LEU  41  -1.918  -0.208  -6.903
  334   HD11  LEU  41          1HD1      LEU  41   0.812   0.735  -5.981
  335   HD12  LEU  41          2HD1      LEU  41  -0.361  -0.166  -5.018
  336   HD13  LEU  41          3HD1      LEU  41  -0.739   1.467  -5.560
  337   HD21  LEU  41          3HD2      LEU  41  -1.321   0.603  -9.136
  338   HD22  LEU  41          1HD2      LEU  41   0.232   1.192  -8.533
  339   HD23  LEU  41          2HD2      LEU  41  -1.275   1.919  -7.967
  340    H    LYS  42           H        LYS  42  -1.672  -4.412  -9.420
  341    HA   LYS  42           HA       LYS  42  -0.974  -6.499  -9.841
  342    HB2  LYS  42           2HB      LYS  42   1.419  -5.038 -11.034
  343    HB3  LYS  42           3HB      LYS  42   1.137  -6.760 -11.235
  344    HG2  LYS  42           2HG      LYS  42   0.368  -5.740 -13.226
  345    HG3  LYS  42           3HG      LYS  42  -1.079  -6.177 -12.333
  346    HD2  LYS  42           2HD      LYS  42  -1.319  -3.826 -11.583
  347    HD3  LYS  42           3HD      LYS  42   0.144  -3.390 -12.465
  348    HE2  LYS  42           2HE      LYS  42  -0.962  -3.963 -14.585
  349    HE3  LYS  42           3HE      LYS  42  -2.420  -4.435 -13.709
  350    HZ1  LYS  42           3HZ      LYS  42  -2.667  -2.224 -14.557
  351    HZ2  LYS  42           1HZ      LYS  42  -1.227  -1.717 -13.824
  352    HZ3  LYS  42           2HZ      LYS  42  -2.560  -2.139 -12.869
  353    H    LEU  43           H        LEU  43   0.078  -5.067  -7.302
  354    HA   LEU  43           HA       LEU  43   2.381  -6.648  -6.485
  355    HB2  LEU  43           2HB      LEU  43   0.669  -4.638  -4.971
  356    HB3  LEU  43           3HB      LEU  43   2.086  -5.430  -4.294
  357    HG   LEU  43           HG       LEU  43   2.095  -3.517  -6.660
  358   HD11  LEU  43          1HD1      LEU  43   1.632  -2.358  -4.560
  359   HD12  LEU  43          2HD1      LEU  43   3.240  -1.954  -5.157
  360   HD13  LEU  43          3HD1      LEU  43   3.057  -3.091  -3.817
  361   HD21  LEU  43          3HD2      LEU  43   4.561  -3.624  -6.493
  362   HD22  LEU  43          1HD2      LEU  43   3.865  -5.191  -6.904
  363   HD23  LEU  43          2HD2      LEU  43   4.427  -4.879  -5.260
  364    H    THR  44           H        THR  44   2.173  -7.564  -4.124
  365    HA   THR  44           HA       THR  44  -0.280  -9.223  -3.854
  366    HB   THR  44           HB       THR  44   1.046 -10.752  -2.447
  367    HG1  THR  44           HG1      THR  44   3.418 -10.311  -2.410
  368   HG21  THR  44          3HG2      THR  44   2.499 -10.131  -5.043
  369   HG22  THR  44          1HG2      THR  44   1.099 -11.192  -4.870
  370   HG23  THR  44          2HG2      THR  44   2.638 -11.631  -4.126
  371    H    GLU  45           H        GLU  45  -1.179  -9.448  -1.727
  372    HA   GLU  45           HA       GLU  45  -1.396  -7.172  -0.108
  373    HB2  GLU  45           2HB      GLU  45  -1.935 -10.076   0.622
  374    HB3  GLU  45           3HB      GLU  45  -2.415  -8.700   1.616
  375    HG2  GLU  45           2HG      GLU  45  -3.786  -7.864  -0.324
  376    HG3  GLU  45           3HG      GLU  45  -3.417  -9.370  -1.169
  377    H    THR  46           H        THR  46   0.925  -9.826   0.091
  378    HA   THR  46           HA       THR  46   2.076  -9.280   2.611
  379    HB   THR  46           HB       THR  46   3.377 -10.477   0.113
  380    HG1  THR  46           HG1      THR  46   2.936 -12.467   1.320
  381   HG21  THR  46          3HG2      THR  46   5.019 -11.495   1.670
  382   HG22  THR  46          1HG2      THR  46   4.298 -10.618   3.015
  383   HG23  THR  46          2HG2      THR  46   5.109  -9.733   1.719
  384    H    GLN  47           H        GLN  47   3.113  -8.263  -0.676
  385    HA   GLN  47           HA       GLN  47   5.312  -6.694   0.144
  386    HB2  GLN  47           2HB      GLN  47   3.715  -6.717  -2.441
  387    HB3  GLN  47           3HB      GLN  47   5.151  -5.721  -2.217
  388    HG2  GLN  47           2HG      GLN  47   6.496  -7.750  -1.799
  389    HG3  GLN  47           3HG      GLN  47   5.061  -8.748  -2.049
  390   HE21  GLN  47          1HE2      GLN  47   5.867  -5.890  -3.986
  391   HE22  GLN  47          2HE2      GLN  47   6.194  -6.755  -5.434
  392    H    VAL  48           H        VAL  48   1.976  -5.695  -0.721
  393    HA   VAL  48           HA       VAL  48   2.255  -2.923  -0.347
  394    HB   VAL  48           HB       VAL  48  -0.209  -4.684   0.084
  395   HG11  VAL  48          1HG1      VAL  48  -0.092  -1.649  -0.183
  396   HG12  VAL  48          2HG1      VAL  48  -0.565  -2.554   1.255
  397   HG13  VAL  48          3HG1      VAL  48  -1.570  -2.616  -0.192
  398   HG21  VAL  48          3HG2      VAL  48   0.689  -4.782  -2.210
  399   HG22  VAL  48          1HG2      VAL  48   0.646  -3.020  -2.325
  400   HG23  VAL  48          2HG2      VAL  48  -0.857  -3.937  -2.189
  401    H    LYS  49           H        LYS  49   1.425  -5.475   2.024
  402    HA   LYS  49           HA       LYS  49   1.142  -3.832   4.312
  403    HB2  LYS  49           2HB      LYS  49   0.322  -6.136   4.262
  404    HB3  LYS  49           3HB      LYS  49   1.961  -6.755   4.085
  405    HG2  LYS  49           2HG      LYS  49   2.519  -5.925   6.353
  406    HG3  LYS  49           3HG      LYS  49   0.881  -5.290   6.522
  407    HD2  LYS  49           2HD      LYS  49   1.115  -7.435   7.696
  408    HD3  LYS  49           3HD      LYS  49  -0.043  -7.567   6.374
  409    HE2  LYS  49           2HE      LYS  49   1.695  -8.649   4.972
  410    HE3  LYS  49           3HE      LYS  49   2.842  -8.521   6.308
  411    HZ1  LYS  49           3HZ      LYS  49   1.818 -10.719   6.153
  412    HZ2  LYS  49           1HZ      LYS  49   0.291 -10.035   6.389
  413    HZ3  LYS  49           2HZ      LYS  49   1.445  -9.965   7.619
  414    H    ILE  50           H        ILE  50   4.028  -5.387   2.890
  415    HA   ILE  50           HA       ILE  50   5.904  -4.780   4.924
  416    HB   ILE  50           HB       ILE  50   6.330  -5.220   1.931
  417   HG12  ILE  50          2HG1      ILE  50   6.872  -7.126   4.267
  418   HG13  ILE  50          3HG1      ILE  50   5.436  -7.181   3.253
  419   HG21  ILE  50          1HG2      ILE  50   8.226  -3.918   2.790
  420   HG22  ILE  50          2HG2      ILE  50   8.749  -5.566   2.446
  421   HG23  ILE  50          3HG2      ILE  50   8.456  -5.061   4.113
  422   HD11  ILE  50          3HD1      ILE  50   8.267  -7.622   2.307
  423   HD12  ILE  50          1HD1      ILE  50   6.816  -7.692   1.304
  424   HD13  ILE  50          2HD1      ILE  50   7.052  -8.864   2.598
  425    H    TRP  51           H        TRP  51   5.052  -3.033   1.903
  426    HA   TRP  51           HA       TRP  51   6.808  -0.863   2.149
  427    HB2  TRP  51           2HB      TRP  51   5.546  -1.377   0.060
  428    HB3  TRP  51           3HB      TRP  51   4.047  -0.887   0.837
  429    HD1  TRP  51           HD1      TRP  51   7.170   0.597  -0.823
  430    HE1  TRP  51           HE1      TRP  51   6.841   3.110  -1.155
  431    HE3  TRP  51           HE3      TRP  51   2.904   1.217   1.884
  432    HZ2  TRP  51           HZ2      TRP  51   5.039   5.094  -0.359
  433    HZ3  TRP  51           HZ3      TRP  51   1.942   3.464   2.075
  434    HH2  TRP  51           HH2      TRP  51   2.994   5.370   0.975
  435    H    PHE  52           H        PHE  52   3.356  -1.076   3.106
  436    HA   PHE  52           HA       PHE  52   3.094   1.380   4.393
  437    HB2  PHE  52           2HB      PHE  52   1.620  -1.236   4.577
  438    HB3  PHE  52           3HB      PHE  52   1.298  -0.055   5.838
  439    HD1  PHE  52           HD1      PHE  52   1.357  -0.371   2.080
  440    HD2  PHE  52           HD2      PHE  52  -0.316   1.635   5.463
  441    HE1  PHE  52           HE1      PHE  52  -0.217   0.806   0.606
  442    HE2  PHE  52           HE2      PHE  52  -1.889   2.808   3.982
  443    HZ   PHE  52           HZ       PHE  52  -1.842   2.400   1.551
  444    H    GLN  53           H        GLN  53   4.269  -1.695   5.761
  445    HA   GLN  53           HA       GLN  53   4.485  -0.885   8.463
  446    HB2  GLN  53           2HB      GLN  53   4.478  -3.245   7.780
  447    HB3  GLN  53           3HB      GLN  53   6.006  -3.037   6.937
  448    HG2  GLN  53           2HG      GLN  53   6.373  -4.192   9.036
  449    HG3  GLN  53           3HG      GLN  53   7.136  -2.606   9.096
  450   HE21  GLN  53          1HE2      GLN  53   3.666  -3.086   9.572
  451   HE22  GLN  53          2HE2      GLN  53   3.675  -2.683  11.245
  452    H    ASN  54           H        ASN  54   6.989  -1.039   5.905
  453    HA   ASN  54           HA       ASN  54   9.106   0.152   7.339
  454    HB2  ASN  54           2HB      ASN  54   8.517  -0.197   4.384
  455    HB3  ASN  54           3HB      ASN  54   9.899   0.771   4.879
  456   HD21  ASN  54          1HD2      ASN  54   8.524  -2.473   5.009
  457   HD22  ASN  54          2HD2      ASN  54  10.011  -3.280   5.315
  458    H    ARG  55           H        ARG  55   6.571   1.585   5.327
  459    HA   ARG  55           HA       ARG  55   7.428   4.259   5.406
  460    HB2  ARG  55           2HB      ARG  55   5.297   2.829   4.208
  461    HB3  ARG  55           3HB      ARG  55   4.482   3.971   5.259
  462    HG2  ARG  55           2HG      ARG  55   4.713   4.930   3.072
  463    HG3  ARG  55           3HG      ARG  55   5.735   5.824   4.197
  464    HD2  ARG  55           2HD      ARG  55   7.717   4.538   3.392
  465    HD3  ARG  55           3HD      ARG  55   6.680   3.689   2.223
  466    HE   ARG  55           HE       ARG  55   6.504   6.534   1.964
  467   HH11  ARG  55          1HH1      ARG  55   8.443   3.799   1.075
  468   HH12  ARG  55          2HH1      ARG  55   9.172   4.626  -0.256
  469   HH21  ARG  55          1HH2      ARG  55   7.416   7.539   0.245
  470   HH22  ARG  55          2HH2      ARG  55   8.588   6.716  -0.722
  471    H    ARG  56           H        ARG  56   5.428   2.394   7.623
  472    HA   ARG  56           HA       ARG  56   4.749   4.519   9.429
  473    HB2  ARG  56           2HB      ARG  56   4.674   1.485   9.560
  474    HB3  ARG  56           3HB      ARG  56   4.240   2.464  10.957
  475    HG2  ARG  56           2HG      ARG  56   2.333   3.376   9.885
  476    HG3  ARG  56           3HG      ARG  56   2.875   2.878   8.283
  477    HD2  ARG  56           2HD      ARG  56   0.957   1.521   9.270
  478    HD3  ARG  56           3HD      ARG  56   2.340   0.590   8.701
  479    HE   ARG  56           HE       ARG  56   2.767  -0.087  10.847
  480   HH11  ARG  56          1HH1      ARG  56   0.555   2.560  11.053
  481   HH12  ARG  56          2HH1      ARG  56   0.097   2.167  12.672
  482   HH21  ARG  56          2HH2      ARG  56   2.180  -0.536  12.912
  483   HH22  ARG  56          1HH2      ARG  56   0.991   0.437  13.704
  484    H    TYR  57           H        TYR  57   7.466   2.294   9.115
  485    HA   TYR  57           HA       TYR  57   8.856   3.030  11.517
  486    HB2  TYR  57           2HB      TYR  57   9.338   0.913  10.353
  487    HB3  TYR  57           3HB      TYR  57   9.810   1.779   8.902
  488    HD1  TYR  57           HD1      TYR  57  10.822   1.156  12.453
  489    HD2  TYR  57           HD2      TYR  57  12.098   2.458   8.581
  490    HE1  TYR  57           HE1      TYR  57  13.155   1.149  13.214
  491    HE2  TYR  57           HE2      TYR  57  14.430   2.457   9.345
  492    HH   TYR  57           HH       TYR  57  15.672   2.620  11.520
  493    H    LYS  58           H        LYS  58   8.513   4.458   8.334
  494    HA   LYS  58           HA       LYS  58  10.837   6.230   8.545
  495    HB2  LYS  58           2HB      LYS  58   8.661   6.006   6.431
  496    HB3  LYS  58           3HB      LYS  58  10.050   7.085   6.316
  497    HG2  LYS  58           2HG      LYS  58  11.577   5.206   6.206
  498    HG3  LYS  58           3HG      LYS  58  10.266   4.072   6.529
  499    HD2  LYS  58           2HD      LYS  58   9.184   4.858   4.360
  500    HD3  LYS  58           3HD      LYS  58  10.669   5.760   4.032
  501    HE2  LYS  58           2HE      LYS  58  10.409   2.752   4.361
  502    HE3  LYS  58           3HE      LYS  58  10.722   3.619   2.858
  503    HZ1  LYS  58           3HZ      LYS  58  12.524   3.419   5.210
  504    HZ2  LYS  58           1HZ      LYS  58  12.827   4.391   3.855
  505    HZ3  LYS  58           2HZ      LYS  58  12.747   2.711   3.692
  506    H    THR  59           H        THR  59   7.418   6.427   9.329
  507    HA   THR  59           HA       THR  59   7.643   9.381   9.693
  508    HB   THR  59           HB       THR  59   6.124   8.824   7.789
  509    HG1  THR  59           HG1      THR  59   4.253   9.829   9.498
  510   HG21  THR  59          3HG2      THR  59   4.290   7.585   9.878
  511   HG22  THR  59          1HG2      THR  59   5.172   6.680   8.644
  512   HG23  THR  59          2HG2      THR  59   3.920   7.829   8.171
  513    H    LYS  60           H        LYS  60   6.780  10.300  11.517
  514    HA   LYS  60           HA       LYS  60   6.487  10.497  13.755
  515    HB2  LYS  60           2HB      LYS  60   4.086   8.902  12.835
  516    HB3  LYS  60           3HB      LYS  60   4.250   9.284  14.541
  517    HG2  LYS  60           2HG      LYS  60   2.816  10.932  13.524
  518    HG3  LYS  60           3HG      LYS  60   4.334  11.702  13.984
  519    HD2  LYS  60           2HD      LYS  60   5.100  11.607  11.627
  520    HD3  LYS  60           3HD      LYS  60   3.590  10.822  11.167
  521    HE2  LYS  60           2HE      LYS  60   2.342  12.846  11.893
  522    HE3  LYS  60           3HE      LYS  60   3.872  13.631  12.292
  523    HZ1  LYS  60           3HZ      LYS  60   4.517  13.424   9.958
  524    HZ2  LYS  60           1HZ      LYS  60   3.102  14.330  10.140
  525    HZ3  LYS  60           2HZ      LYS  60   3.019  12.734   9.586
  526    H    ARG  61           H        ARG  61   8.530   9.210  13.991
  527    HA   ARG  61           HA       ARG  61   8.161   6.774  15.611
  528    HB2  ARG  61           2HB      ARG  61   9.808   5.528  14.385
  529    HB3  ARG  61           3HB      ARG  61   8.708   6.180  13.183
  530    HG2  ARG  61           2HG      ARG  61  11.429   7.359  13.853
  531    HG3  ARG  61           3HG      ARG  61  11.125   6.247  12.520
  532    HD2  ARG  61           2HD      ARG  61   9.625   7.896  11.476
  533    HD3  ARG  61           3HD      ARG  61   9.875   8.999  12.833
  534    HE   ARG  61           HE       ARG  61  12.306   8.223  11.511
  535   HH11  ARG  61          1HH1      ARG  61   9.711  10.518  11.470
  536   HH12  ARG  61          2HH1      ARG  61  10.621  11.677  10.572
  537   HH21  ARG  61          1HH2      ARG  61  13.433   9.730  10.367
  538   HH22  ARG  61          2HH2      ARG  61  12.694  11.237   9.956
  539    H    LYS  62           H        LYS  62  10.419   6.107  16.507
  540    HA   LYS  62           HA       LYS  62  11.842   8.482  17.579
  541    HB2  LYS  62           2HB      LYS  62  12.458   7.046  19.476
  542    HB3  LYS  62           3HB      LYS  62  10.712   7.042  19.257
  543    HG2  LYS  62           2HG      LYS  62  10.995   4.842  17.994
  544    HG3  LYS  62           3HG      LYS  62  12.670   4.836  18.549
  545    HD2  LYS  62           2HD      LYS  62  11.880   4.832  20.902
  546    HD3  LYS  62           3HD      LYS  62  10.206   4.841  20.336
  547    HE2  LYS  62           2HE      LYS  62  12.252   2.638  19.894
  548    HE3  LYS  62           3HE      LYS  62  10.851   2.575  20.962
  549    HZ1  LYS  62           3HZ      LYS  62  10.765   2.793  17.997
  550    HZ2  LYS  62           1HZ      LYS  62   9.414   2.739  19.016
  551    HZ3  LYS  62           2HZ      LYS  62  10.443   1.404  18.900
  552    H    GLN  63           H        GLN  63  14.120   8.522  17.520
  553    HA   GLN  63           HA       GLN  63  15.453   7.009  15.456
  554    HB2  GLN  63           2HB      GLN  63  16.026   9.367  15.900
  555    HB3  GLN  63           3HB      GLN  63  16.535   8.967  17.534
  556    HG2  GLN  63           2HG      GLN  63  18.471   9.305  16.097
  557    HG3  GLN  63           3HG      GLN  63  18.401   7.633  16.650
  558   HE21  GLN  63          1HE2      GLN  63  19.719   6.959  14.950
  559   HE22  GLN  63          2HE2      GLN  63  19.162   6.847  13.320
  560    H    LEU  64           H        LEU  64  16.072   7.315  18.960
  561    HA   LEU  64           HA       LEU  64  16.992   4.496  19.121
  562    HB2  LEU  64           2HB      LEU  64  18.803   6.251  19.321
  563    HB3  LEU  64           3HB      LEU  64  18.000   6.887  20.738
  564    HG   LEU  64           HG       LEU  64  19.015   4.013  20.686
  565   HD11  LEU  64          1HD1      LEU  64  21.128   4.764  21.703
  566   HD12  LEU  64          2HD1      LEU  64  20.649   6.448  21.475
  567   HD13  LEU  64          3HD1      LEU  64  20.929   5.412  20.075
  568   HD21  LEU  64          3HD2      LEU  64  19.159   4.299  23.141
  569   HD22  LEU  64          1HD2      LEU  64  17.521   4.590  22.555
  570   HD23  LEU  64          2HD2      LEU  64  18.553   5.952  22.992
  571    H    SER  65           H        SER  65  15.769   7.217  21.098
  572    HA   SER  65           HA       SER  65  13.856   5.415  22.474
  573    HB2  SER  65           2HB      SER  65  14.208   6.840  24.538
  574    HB3  SER  65           3HB      SER  65  15.639   5.928  24.059
  575    HG   SER  65           HG       SER  65  16.261   8.026  24.487
  576    H    SER  66           H        SER  66  14.604   8.878  21.861
  577    HA   SER  66           HA       SER  66  12.086   9.265  20.477
  578    HB2  SER  66           2HB      SER  66  11.202  11.084  21.863
  579    HB3  SER  66           3HB      SER  66  11.422   9.666  22.888
  580    HG   SER  66           HG       SER  66  12.212  11.816  23.664
  581    H    GLU  67           H        GLU  67  12.141  11.142  19.129
  582    HA   GLU  67           HA       GLU  67  14.812  12.211  18.612
  583    HB2  GLU  67           2HB      GLU  67  12.203  12.680  17.107
  584    HB3  GLU  67           3HB      GLU  67  13.811  13.155  16.561
  585    HG2  GLU  67           2HG      GLU  67  14.449  10.707  16.587
  586    HG3  GLU  67           3HG      GLU  67  12.760  10.328  16.918
  587    H    LEU  68           H        LEU  68  13.922  13.091  21.063
  588    HA   LEU  68           HA       LEU  68  12.987  15.833  20.914
  589    HB2  LEU  68           2HB      LEU  68  12.326  14.442  22.814
  590    HB3  LEU  68           3HB      LEU  68  14.004  14.119  23.208
  591    HG   LEU  68           HG       LEU  68  14.308  16.546  23.797
  592   HD11  LEU  68          1HD1      LEU  68  11.312  16.772  23.376
  593   HD12  LEU  68          2HD1      LEU  68  12.573  17.540  22.409
  594   HD13  LEU  68          3HD1      LEU  68  12.356  18.003  24.092
  595   HD21  LEU  68          3HD2      LEU  68  12.094  15.156  25.348
  596   HD22  LEU  68          1HD2      LEU  68  13.118  16.469  25.938
  597   HD23  LEU  68          2HD2      LEU  68  13.830  14.904  25.557
  598    H    GLY  69           H        GLY  69  14.277  17.635  20.857
  599    HA2  GLY  69           2HA      GLY  69  16.157  18.981  21.270
  600    HA3  GLY  69           3HA      GLY  69  17.107  17.556  21.640
  Start of MODEL    8
    1    H1   MET   1           1H       MET   1  18.091  12.209   0.224
    2    H2   MET   1           2H       MET   1  18.009  13.426   1.395
    3    H3   MET   1           3H       MET   1  16.638  12.507   1.037
    4    HA   MET   1           HA       MET   1  19.138  11.445   2.194
    5    HB2  MET   1           2HB      MET   1  17.970  11.312   4.346
    6    HB3  MET   1           3HB      MET   1  17.964  12.971   3.766
    7    HG2  MET   1           2HG      MET   1  15.624  11.049   3.608
    8    HG3  MET   1           3HG      MET   1  15.814  12.354   4.778
    9    HE1  MET   1           3HE      MET   1  13.298  11.818   2.664
   10    HE2  MET   1           1HE      MET   1  12.925  13.480   2.226
   11    HE3  MET   1           2HE      MET   1  13.255  13.067   3.911
   12    H    GLY   2           H        GLY   2  18.815   9.242   3.141
   13    HA2  GLY   2           2HA      GLY   2  17.989   7.094   3.219
   14    HA3  GLY   2           3HA      GLY   2  16.509   7.658   2.469
   15    H    HIS   3           H        HIS   3  19.898   7.656   1.301
   16    HA   HIS   3           HA       HIS   3  18.990   6.489  -1.249
   17    HB2  HIS   3           2HB      HIS   3  21.144   7.213  -2.177
   18    HB3  HIS   3           3HB      HIS   3  20.306   8.546  -1.407
   19    HD1  HIS   3           HD1      HIS   3  23.357   6.402  -1.060
   20    HD2  HIS   3           HD2      HIS   3  21.655   9.723   0.756
   21    HE1  HIS   3           HE1      HIS   3  25.150   7.356   0.406
   22    HE2  HIS   3           HE2      HIS   3  24.085   9.330   1.524
   23    H    HIS   4           H        HIS   4  19.870   5.045   1.505
   24    HA   HIS   4           HA       HIS   4  21.414   2.897   0.161
   25    HB2  HIS   4           2HB      HIS   4  22.429   3.752   2.246
   26    HB3  HIS   4           3HB      HIS   4  20.968   3.352   3.140
   27    HD1  HIS   4           HD1      HIS   4  23.425   1.441   0.911
   28    HD2  HIS   4           HD2      HIS   4  21.229   0.939   4.400
   29    HE1  HIS   4           HE1      HIS   4  24.002  -0.850   1.748
   30    HE2  HIS   4           HE2      HIS   4  22.767  -1.075   3.918
   31    H    HIS   5           H        HIS   5  20.130   1.392  -0.720
   32    HA   HIS   5           HA       HIS   5  18.213  -0.123   0.763
   33    HB2  HIS   5           2HB      HIS   5  16.184   0.428  -0.571
   34    HB3  HIS   5           3HB      HIS   5  16.758   1.818   0.337
   35    HD1  HIS   5           HD1      HIS   5  16.206   0.604  -3.137
   36    HD2  HIS   5           HD2      HIS   5  17.798   3.943  -1.251
   37    HE1  HIS   5           HE1      HIS   5  16.354   2.362  -4.904
   38    HE2  HIS   5           HE2      HIS   5  17.105   4.422  -3.688
   39    H    HIS   6           H        HIS   6  16.826  -1.470  -1.060
   40    HA   HIS   6           HA       HIS   6  18.862  -2.977  -2.497
   41    HB2  HIS   6           2HB      HIS   6  15.875  -3.513  -2.271
   42    HB3  HIS   6           3HB      HIS   6  17.101  -4.652  -2.820
   43    HD1  HIS   6           HD1      HIS   6  15.060  -4.764  -0.233
   44    HD2  HIS   6           HD2      HIS   6  19.189  -4.262  -0.247
   45    HE1  HIS   6           HE1      HIS   6  15.844  -5.525   2.023
   46    HE2  HIS   6           HE2      HIS   6  18.311  -5.055   2.044
   47    H    HIS   7           H        HIS   7  18.582  -3.680  -4.759
   48    HA   HIS   7           HA       HIS   7  17.873  -1.465  -6.515
   49    HB2  HIS   7           2HB      HIS   7  19.027  -4.199  -7.207
   50    HB3  HIS   7           3HB      HIS   7  18.855  -2.858  -8.330
   51    HD1  HIS   7           HD1      HIS   7  21.062  -4.221  -5.705
   52    HD2  HIS   7           HD2      HIS   7  20.729  -0.711  -7.900
   53    HE1  HIS   7           HE1      HIS   7  23.250  -3.044  -5.421
   54    HE2  HIS   7           HE2      HIS   7  22.989  -0.880  -6.664
   55    H    HIS   8           H        HIS   8  17.158  -4.981  -6.873
   56    HA   HIS   8           HA       HIS   8  14.820  -4.461  -8.480
   57    HB2  HIS   8           2HB      HIS   8  16.084  -7.010  -7.432
   58    HB3  HIS   8           3HB      HIS   8  14.551  -7.036  -8.299
   59    HD1  HIS   8           HD1      HIS   8  14.616  -6.707 -10.832
   60    HD2  HIS   8           HD2      HIS   8  18.351  -6.324  -9.052
   61    HE1  HIS   8           HE1      HIS   8  16.264  -6.665 -12.720
   62    HE2  HIS   8           HE2      HIS   8  18.516  -6.617 -11.611
   63    H    SER   9           H        SER   9  15.317  -5.546  -5.108
   64    HA   SER   9           HA       SER   9  12.502  -5.637  -4.477
   65    HB2  SER   9           2HB      SER   9  14.037  -6.929  -3.098
   66    HB3  SER   9           3HB      SER   9  14.952  -5.485  -2.680
   67    HG   SER   9           HG       SER   9  12.673  -6.483  -1.574
   68    H    HIS  10           H        HIS  10  11.811  -3.688  -5.415
   69    HA   HIS  10           HA       HIS  10  11.819  -1.267  -3.906
   70    HB2  HIS  10           2HB      HIS  10  14.118  -1.068  -4.798
   71    HB3  HIS  10           3HB      HIS  10  13.544  -1.366  -6.432
   72    HD1  HIS  10           HD1      HIS  10  13.024   1.233  -3.684
   73    HD2  HIS  10           HD2      HIS  10  13.137   0.943  -7.829
   74    HE1  HIS  10           HE1      HIS  10  12.779   3.575  -4.532
   75    HE2  HIS  10           HE2      HIS  10  12.662   3.352  -7.026
   76    H    MET  11           H        MET  11   9.679  -0.859  -4.257
   77    HA   MET  11           HA       MET  11   8.156  -1.365  -6.556
   78    HB2  MET  11           2HB      MET  11   7.744   0.731  -4.381
   79    HB3  MET  11           3HB      MET  11   6.539   0.333  -5.600
   80    HG2  MET  11           2HG      MET  11   5.970  -0.792  -3.552
   81    HG3  MET  11           3HG      MET  11   6.479  -1.997  -4.734
   82    HE1  MET  11           3HE      MET  11   6.681  -3.770  -2.710
   83    HE2  MET  11           1HE      MET  11   6.251  -2.540  -1.516
   84    HE3  MET  11           2HE      MET  11   7.702  -3.517  -1.297
   85    H    SER  12           H        SER  12   7.277   0.111  -8.168
   86    HA   SER  12           HA       SER  12   9.324   1.678  -9.471
   87    HB2  SER  12           2HB      SER  12   6.370   1.408 -10.180
   88    HB3  SER  12           3HB      SER  12   7.631   2.053 -11.233
   89    HG   SER  12           HG       SER  12   6.880  -0.444 -10.980
   90    H    HIS  13           H        HIS  13   9.163   3.983 -10.060
   91    HA   HIS  13           HA       HIS  13   8.812   5.710  -7.941
   92    HB2  HIS  13           2HB      HIS  13  10.135   6.301  -9.928
   93    HB3  HIS  13           3HB      HIS  13   8.676   6.426 -10.900
   94    HD1  HIS  13           HD1      HIS  13  10.509   8.221  -8.127
   95    HD2  HIS  13           HD2      HIS  13   7.324   8.863 -10.709
   96    HE1  HIS  13           HE1      HIS  13   9.867  10.622  -7.820
   97    HE2  HIS  13           HE2      HIS  13   7.998  11.011  -9.446
   98    H    THR  14           H        THR  14   6.537   5.528 -10.730
   99    HA   THR  14           HA       THR  14   4.580   7.213  -9.563
  100    HB   THR  14           HB       THR  14   4.008   5.185 -11.761
  101    HG1  THR  14           HG1      THR  14   4.797   6.724 -13.213
  102   HG21  THR  14          3HG2      THR  14   2.411   6.921 -12.538
  103   HG22  THR  14          1HG2      THR  14   2.850   7.943 -11.170
  104   HG23  THR  14          2HG2      THR  14   2.028   6.402 -10.894
  105    H    GLN  15           H        GLN  15   5.055   3.728  -9.451
  106    HA   GLN  15           HA       GLN  15   2.561   2.933  -8.372
  107    HB2  GLN  15           2HB      GLN  15   4.082   1.305  -9.305
  108    HB3  GLN  15           3HB      GLN  15   5.337   1.723  -8.143
  109    HG2  GLN  15           2HG      GLN  15   4.066   0.743  -6.323
  110    HG3  GLN  15           3HG      GLN  15   2.677   0.476  -7.379
  111   HE21  GLN  15          1HE2      GLN  15   2.755  -1.221  -8.877
  112   HE22  GLN  15          2HE2      GLN  15   3.936  -2.476  -8.767
  113    H    VAL  16           H        VAL  16   5.611   3.896  -6.774
  114    HA   VAL  16           HA       VAL  16   4.743   3.695  -4.104
  115    HB   VAL  16           HB       VAL  16   6.881   5.563  -5.261
  116   HG11  VAL  16          1HG1      VAL  16   6.398   4.784  -2.347
  117   HG12  VAL  16          2HG1      VAL  16   6.147   6.380  -3.056
  118   HG13  VAL  16          3HG1      VAL  16   7.775   5.717  -2.946
  119   HG21  VAL  16          3HG2      VAL  16   8.507   3.863  -4.482
  120   HG22  VAL  16          1HG2      VAL  16   7.380   3.171  -5.648
  121   HG23  VAL  16          2HG2      VAL  16   7.185   2.830  -3.928
  122    H    ILE  17           H        ILE  17   4.465   6.378  -6.481
  123    HA   ILE  17           HA       ILE  17   3.420   8.402  -4.843
  124    HB   ILE  17           HB       ILE  17   2.537   7.786  -7.707
  125   HG12  ILE  17          2HG1      ILE  17   4.985   8.044  -7.611
  126   HG13  ILE  17          3HG1      ILE  17   4.259   9.402  -8.452
  127   HG21  ILE  17          1HG2      ILE  17   2.355  10.401  -6.160
  128   HG22  ILE  17          2HG2      ILE  17   1.004   9.371  -6.639
  129   HG23  ILE  17          3HG2      ILE  17   1.963  10.194  -7.869
  130   HD11  ILE  17          3HD1      ILE  17   6.056  10.140  -7.058
  131   HD12  ILE  17          1HD1      ILE  17   5.326   9.395  -5.636
  132   HD13  ILE  17          2HD1      ILE  17   4.537  10.765  -6.423
  133    H    GLU  18           H        GLU  18   1.669   5.819  -6.587
  134    HA   GLU  18           HA       GLU  18  -0.955   6.428  -5.728
  135    HB2  GLU  18           2HB      GLU  18   0.188   3.744  -6.605
  136    HB3  GLU  18           3HB      GLU  18  -1.522   4.166  -6.556
  137    HG2  GLU  18           2HG      GLU  18   0.556   5.489  -8.326
  138    HG3  GLU  18           3HG      GLU  18  -0.555   4.223  -8.845
  139    H    LEU  19           H        LEU  19   1.431   4.110  -4.459
  140    HA   LEU  19           HA       LEU  19  -0.022   3.022  -2.308
  141    HB2  LEU  19           2HB      LEU  19   2.944   3.463  -2.790
  142    HB3  LEU  19           3HB      LEU  19   2.363   2.674  -1.337
  143    HG   LEU  19           HG       LEU  19   1.815   1.610  -4.129
  144   HD11  LEU  19          1HD1      LEU  19   4.003   0.758  -2.202
  145   HD12  LEU  19          2HD1      LEU  19   4.234   1.615  -3.728
  146   HD13  LEU  19          3HD1      LEU  19   3.597  -0.026  -3.733
  147   HD21  LEU  19          3HD2      LEU  19   1.230  -0.474  -2.960
  148   HD22  LEU  19          1HD2      LEU  19   0.208   0.856  -2.419
  149   HD23  LEU  19          2HD2      LEU  19   1.535   0.293  -1.399
  150    H    GLU  20           H        GLU  20   1.962   5.968  -2.514
  151    HA   GLU  20           HA       GLU  20   1.895   6.700   0.246
  152    HB2  GLU  20           2HB      GLU  20   2.607   8.201  -2.299
  153    HB3  GLU  20           3HB      GLU  20   2.674   8.983  -0.726
  154    HG2  GLU  20           2HG      GLU  20   4.222   6.433  -1.246
  155    HG3  GLU  20           3HG      GLU  20   4.851   7.988  -1.775
  156    H    ARG  21           H        ARG  21  -0.089   7.553  -2.580
  157    HA   ARG  21           HA       ARG  21  -1.758   9.517  -1.492
  158    HB2  ARG  21           2HB      ARG  21  -2.372   7.334  -3.527
  159    HB3  ARG  21           3HB      ARG  21  -3.488   8.648  -3.159
  160    HG2  ARG  21           2HG      ARG  21  -1.920  10.298  -3.994
  161    HG3  ARG  21           3HG      ARG  21  -0.677   9.067  -4.223
  162    HD2  ARG  21           2HD      ARG  21  -1.747   9.674  -6.352
  163    HD3  ARG  21           3HD      ARG  21  -2.036   7.978  -5.948
  164    HE   ARG  21           HE       ARG  21  -4.158   9.686  -5.047
  165   HH11  ARG  21          1HH1      ARG  21  -2.987   8.018  -7.860
  166   HH12  ARG  21          2HH1      ARG  21  -4.548   7.958  -8.597
  167   HH21  ARG  21          1HH2      ARG  21  -6.131   9.588  -6.015
  168   HH22  ARG  21          2HH2      ARG  21  -6.310   8.848  -7.567
  169    H    LYS  22           H        LYS  22  -2.110   5.979  -1.455
  170    HA   LYS  22           HA       LYS  22  -4.542   5.963   0.080
  171    HB2  LYS  22           2HB      LYS  22  -3.799   4.188  -1.598
  172    HB3  LYS  22           3HB      LYS  22  -2.620   3.635  -0.415
  173    HG2  LYS  22           2HG      LYS  22  -4.628   2.227  -0.392
  174    HG3  LYS  22           3HG      LYS  22  -4.432   3.068   1.152
  175    HD2  LYS  22           2HD      LYS  22  -6.123   4.743   0.470
  176    HD3  LYS  22           3HD      LYS  22  -6.303   3.936  -1.093
  177    HE2  LYS  22           2HE      LYS  22  -6.905   2.658   1.588
  178    HE3  LYS  22           3HE      LYS  22  -8.107   3.389   0.531
  179    HZ1  LYS  22           3HZ      LYS  22  -7.573   1.771  -1.156
  180    HZ2  LYS  22           1HZ      LYS  22  -8.036   1.007   0.277
  181    HZ3  LYS  22           2HZ      LYS  22  -6.402   1.067  -0.165
  182    H    PHE  23           H        PHE  23  -1.105   5.554   0.858
  183    HA   PHE  23           HA       PHE  23  -1.357   4.838   3.583
  184    HB2  PHE  23           2HB      PHE  23   0.746   4.592   2.211
  185    HB3  PHE  23           3HB      PHE  23   0.950   6.340   2.267
  186    HD1  PHE  23           HD2      PHE  23   0.675   3.330   4.463
  187    HD2  PHE  23           HD1      PHE  23   2.142   7.321   4.107
  188    HE1  PHE  23           HE2      PHE  23   1.859   3.084   6.591
  189    HE2  PHE  23           HE1      PHE  23   3.329   7.072   6.233
  190    HZ   PHE  23           HZ       PHE  23   3.188   4.956   7.481
  191    H    SER  24           H        SER  24  -1.099   7.998   1.978
  192    HA   SER  24           HA       SER  24  -1.179   9.600   4.355
  193    HB2  SER  24           2HB      SER  24  -1.687  10.303   1.436
  194    HB3  SER  24           3HB      SER  24  -1.715  11.499   2.737
  195    HG   SER  24           HG       SER  24   0.445   9.983   1.745
  196    H    HIS  25           H        HIS  25  -3.637   8.096   2.309
  197    HA   HIS  25           HA       HIS  25  -5.888   9.549   3.293
  198    HB2  HIS  25           2HB      HIS  25  -5.797   8.309   1.107
  199    HB3  HIS  25           3HB      HIS  25  -5.704   6.793   1.991
  200    HD1  HIS  25           HD1      HIS  25  -7.910   6.057   3.289
  201    HD2  HIS  25           HD2      HIS  25  -8.315   9.304   0.740
  202    HE1  HIS  25           HE1      HIS  25 -10.372   6.352   2.974
  203    HE2  HIS  25           HE2      HIS  25 -10.586   8.212   1.297
  204    H    GLN  26           H        GLN  26  -4.255   6.542   4.120
  205    HA   GLN  26           HA       GLN  26  -5.248   6.431   6.802
  206    HB2  GLN  26           2HB      GLN  26  -6.416   4.242   6.600
  207    HB3  GLN  26           3HB      GLN  26  -7.216   5.501   5.666
  208    HG2  GLN  26           2HG      GLN  26  -6.036   4.606   3.608
  209    HG3  GLN  26           3HG      GLN  26  -5.475   3.262   4.607
  210   HE21  GLN  26          1HE2      GLN  26  -6.991   1.702   5.265
  211   HE22  GLN  26          2HE2      GLN  26  -8.548   1.565   4.534
  212    H    LYS  27           H        LYS  27  -3.867   5.266   8.056
  213    HA   LYS  27           HA       LYS  27  -1.358   4.384   6.871
  214    HB2  LYS  27           2HB      LYS  27  -2.233   4.488   9.788
  215    HB3  LYS  27           3HB      LYS  27  -0.584   4.218   9.220
  216    HG2  LYS  27           2HG      LYS  27  -2.218   6.757   8.858
  217    HG3  LYS  27           3HG      LYS  27  -0.871   6.529   9.979
  218    HD2  LYS  27           2HD      LYS  27   0.675   6.213   8.085
  219    HD3  LYS  27           3HD      LYS  27  -0.658   6.371   6.939
  220    HE2  LYS  27           2HE      LYS  27   0.663   8.450   7.108
  221    HE3  LYS  27           3HE      LYS  27  -1.005   8.697   7.628
  222    HZ1  LYS  27           3HZ      LYS  27   0.624   9.754   9.092
  223    HZ2  LYS  27           1HZ      LYS  27   1.292   8.243   9.454
  224    HZ3  LYS  27           2HZ      LYS  27  -0.299   8.599   9.913
  225    H    TYR  28           H        TYR  28  -4.252   2.949   8.112
  226    HA   TYR  28           HA       TYR  28  -3.090   0.222   7.931
  227    HB2  TYR  28           2HB      TYR  28  -5.283   1.178   9.824
  228    HB3  TYR  28           3HB      TYR  28  -4.716  -0.486   9.678
  229    HD1  TYR  28           HD2      TYR  28  -2.420  -1.092  10.491
  230    HD2  TYR  28           HD1      TYR  28  -4.008   2.831  11.093
  231    HE1  TYR  28           HE2      TYR  28  -0.700  -0.654  12.186
  232    HE2  TYR  28           HE1      TYR  28  -2.293   3.271  12.783
  233    HH   TYR  28           HH       TYR  28  -0.856   1.937  14.324
  234    H    LEU  29           H        LEU  29  -3.951  -0.952   6.354
  235    HA   LEU  29           HA       LEU  29  -6.541  -0.294   5.128
  236    HB2  LEU  29           2HB      LEU  29  -4.452  -2.381   4.356
  237    HB3  LEU  29           3HB      LEU  29  -5.878  -1.967   3.414
  238    HG   LEU  29           HG       LEU  29  -3.525  -0.114   3.968
  239   HD11  LEU  29          1HD1      LEU  29  -2.992  -0.340   1.601
  240   HD12  LEU  29          2HD1      LEU  29  -4.328  -1.474   1.381
  241   HD13  LEU  29          3HD1      LEU  29  -2.954  -1.913   2.399
  242   HD21  LEU  29          3HD2      LEU  29  -5.995   0.366   2.269
  243   HD22  LEU  29          1HD2      LEU  29  -4.589   1.430   2.370
  244   HD23  LEU  29          2HD2      LEU  29  -5.597   1.168   3.790
  245    H    SER  30           H        SER  30  -8.250  -1.798   4.972
  246    HA   SER  30           HA       SER  30  -8.354  -4.076   6.802
  247    HB2  SER  30           2HB      SER  30 -10.366  -3.091   4.732
  248    HB3  SER  30           3HB      SER  30 -10.666  -4.362   5.922
  249    HG   SER  30           HG       SER  30 -10.980  -2.886   7.395
  250    H    ALA  31           H        ALA  31  -9.266  -6.230   5.744
  251    HA   ALA  31           HA       ALA  31  -7.404  -7.294   3.938
  252    HB1  ALA  31           3HB      ALA  31 -10.165  -8.393   4.534
  253    HB2  ALA  31           1HB      ALA  31  -8.705  -8.697   5.474
  254    HB3  ALA  31           2HB      ALA  31  -8.821  -9.281   3.814
  255    HA   PRO  32           HA       PRO  32 -10.654  -6.551   0.277
  256    HB2  PRO  32           2HB      PRO  32 -12.321  -4.342   0.713
  257    HB3  PRO  32           3HB      PRO  32 -12.818  -6.037   0.895
  258    HG2  PRO  32           2HG      PRO  32 -11.922  -4.093   3.004
  259    HG3  PRO  32           3HG      PRO  32 -13.271  -5.256   3.043
  260    HD2  PRO  32           2HD      PRO  32 -10.964  -5.803   4.291
  261    HD3  PRO  32           3HD      PRO  32 -11.854  -7.085   3.442
  262    H    GLU  33           H        GLU  33  -9.840  -3.587   2.230
  263    HA   GLU  33           HA       GLU  33  -9.178  -1.875   0.122
  264    HB2  GLU  33           2HB      GLU  33  -8.235  -1.936   3.010
  265    HB3  GLU  33           3HB      GLU  33  -7.893  -0.593   1.921
  266    HG2  GLU  33           2HG      GLU  33 -10.675  -1.532   2.702
  267    HG3  GLU  33           3HG      GLU  33  -9.816  -0.185   3.452
  268    H    ARG  34           H        ARG  34  -7.116  -4.109   1.926
  269    HA   ARG  34           HA       ARG  34  -4.615  -3.320   0.797
  270    HB2  ARG  34           2HB      ARG  34  -4.887  -4.498   2.983
  271    HB3  ARG  34           3HB      ARG  34  -5.408  -5.944   2.124
  272    HG2  ARG  34           2HG      ARG  34  -3.138  -6.000   1.007
  273    HG3  ARG  34           3HG      ARG  34  -2.653  -4.663   2.059
  274    HD2  ARG  34           2HD      ARG  34  -1.932  -6.877   2.940
  275    HD3  ARG  34           3HD      ARG  34  -3.032  -6.042   4.046
  276    HE   ARG  34           HE       ARG  34  -4.087  -8.030   2.160
  277   HH11  ARG  34          1HH1      ARG  34  -3.577  -7.146   5.459
  278   HH12  ARG  34          2HH1      ARG  34  -4.597  -8.406   6.050
  279   HH21  ARG  34          1HH2      ARG  34  -5.400  -9.584   2.927
  280   HH22  ARG  34          2HH2      ARG  34  -5.611  -9.784   4.636
  281    H    ALA  35           H        ALA  35  -6.978  -5.857   0.051
  282    HA   ALA  35           HA       ALA  35  -5.574  -7.122  -2.070
  283    HB1  ALA  35           3HB      ALA  35  -7.730  -8.195  -2.575
  284    HB2  ALA  35           1HB      ALA  35  -8.554  -7.059  -1.497
  285    HB3  ALA  35           2HB      ALA  35  -7.399  -8.219  -0.843
  286    H    HIS  36           H        HIS  36  -7.933  -4.460  -1.984
  287    HA   HIS  36           HA       HIS  36  -8.281  -4.061  -4.751
  288    HB2  HIS  36           2HB      HIS  36  -8.393  -1.989  -2.508
  289    HB3  HIS  36           3HB      HIS  36  -8.942  -1.706  -4.157
  290    HD1  HIS  36           HD1      HIS  36 -10.350  -4.739  -4.091
  291    HD2  HIS  36           HD2      HIS  36 -11.059  -1.462  -1.631
  292    HE1  HIS  36           HE1      HIS  36 -12.634  -5.093  -3.126
  293    HE2  HIS  36           HE2      HIS  36 -13.059  -3.098  -1.674
  294    H    LEU  37           H        LEU  37  -6.082  -2.402  -2.440
  295    HA   LEU  37           HA       LEU  37  -4.797  -0.748  -4.348
  296    HB2  LEU  37           2HB      LEU  37  -4.856  -0.368  -1.869
  297    HB3  LEU  37           3HB      LEU  37  -3.706  -1.681  -1.668
  298    HG   LEU  37           HG       LEU  37  -2.028  -0.377  -3.015
  299   HD11  LEU  37          1HD1      LEU  37  -4.061   1.882  -2.915
  300   HD12  LEU  37          2HD1      LEU  37  -3.577   0.979  -4.356
  301   HD13  LEU  37          3HD1      LEU  37  -2.402   1.992  -3.519
  302   HD21  LEU  37          3HD2      LEU  37  -3.103   1.077  -0.574
  303   HD22  LEU  37          1HD2      LEU  37  -1.493   1.276  -1.272
  304   HD23  LEU  37          2HD2      LEU  37  -1.963  -0.272  -0.576
  305    H    ALA  38           H        ALA  38  -3.965  -3.948  -3.074
  306    HA   ALA  38           HA       ALA  38  -1.453  -4.326  -4.270
  307    HB1  ALA  38           3HB      ALA  38  -3.552  -6.431  -3.645
  308    HB2  ALA  38           1HB      ALA  38  -2.346  -5.811  -2.519
  309    HB3  ALA  38           2HB      ALA  38  -1.835  -6.733  -3.934
  310    H    LYS  39           H        LYS  39  -4.682  -5.429  -5.482
  311    HA   LYS  39           HA       LYS  39  -3.620  -6.427  -7.949
  312    HB2  LYS  39           2HB      LYS  39  -5.868  -6.953  -8.569
  313    HB3  LYS  39           3HB      LYS  39  -5.729  -7.243  -6.841
  314    HG2  LYS  39           2HG      LYS  39  -6.874  -5.060  -6.417
  315    HG3  LYS  39           3HG      LYS  39  -7.084  -4.866  -8.159
  316    HD2  LYS  39           2HD      LYS  39  -8.237  -7.101  -6.448
  317    HD3  LYS  39           3HD      LYS  39  -9.134  -5.735  -7.106
  318    HE2  LYS  39           2HE      LYS  39  -7.763  -7.876  -8.773
  319    HE3  LYS  39           3HE      LYS  39  -9.484  -7.829  -8.399
  320    HZ1  LYS  39           3HZ      LYS  39  -7.990  -5.776  -9.936
  321    HZ2  LYS  39           1HZ      LYS  39  -9.639  -5.726  -9.572
  322    HZ3  LYS  39           2HZ      LYS  39  -9.035  -6.937 -10.581
  323    H    ASN  40           H        ASN  40  -4.910  -3.293  -7.020
  324    HA   ASN  40           HA       ASN  40  -5.256  -2.095  -9.552
  325    HB2  ASN  40           2HB      ASN  40  -4.663  -0.933  -6.813
  326    HB3  ASN  40           3HB      ASN  40  -4.701   0.116  -8.226
  327   HD21  ASN  40          1HD2      ASN  40  -6.875  -2.650  -7.762
  328   HD22  ASN  40          2HD2      ASN  40  -8.296  -1.700  -7.573
  329    H    LEU  41           H        LEU  41  -2.362  -2.481  -7.547
  330    HA   LEU  41           HA       LEU  41  -0.666  -1.186  -9.618
  331    HB2  LEU  41           2HB      LEU  41  -0.076  -1.723  -6.687
  332    HB3  LEU  41           3HB      LEU  41   0.988  -0.879  -7.807
  333    HG   LEU  41           HG       LEU  41  -1.756   0.093  -6.899
  334   HD11  LEU  41          1HD1      LEU  41  -0.550   1.847  -5.695
  335   HD12  LEU  41          2HD1      LEU  41   0.991   1.129  -6.165
  336   HD13  LEU  41          3HD1      LEU  41  -0.110   0.244  -5.108
  337   HD21  LEU  41          3HD2      LEU  41  -1.298   0.807  -9.200
  338   HD22  LEU  41          1HD2      LEU  41   0.265   1.467  -8.705
  339   HD23  LEU  41          2HD2      LEU  41  -1.232   2.177  -8.096
  340    H    LYS  42           H        LYS  42  -1.660  -4.170  -9.186
  341    HA   LYS  42           HA       LYS  42  -0.968  -6.283  -9.469
  342    HB2  LYS  42           2HB      LYS  42   1.004  -4.762 -11.198
  343    HB3  LYS  42           3HB      LYS  42   1.060  -6.518 -11.115
  344    HG2  LYS  42           2HG      LYS  42  -0.208  -5.821 -13.065
  345    HG3  LYS  42           3HG      LYS  42  -1.260  -6.655 -11.928
  346    HD2  LYS  42           2HD      LYS  42  -2.064  -4.392 -11.135
  347    HD3  LYS  42           3HD      LYS  42  -1.111  -3.656 -12.425
  348    HE2  LYS  42           2HE      LYS  42  -3.411  -5.607 -12.791
  349    HE3  LYS  42           3HE      LYS  42  -3.467  -3.868 -13.073
  350    HZ1  LYS  42           3HZ      LYS  42  -1.816  -5.832 -14.570
  351    HZ2  LYS  42           1HZ      LYS  42  -1.792  -4.158 -14.818
  352    HZ3  LYS  42           2HZ      LYS  42  -3.198  -5.039 -15.136
  353    H    LEU  43           H        LEU  43   0.042  -4.927  -7.139
  354    HA   LEU  43           HA       LEU  43   2.483  -6.370  -6.405
  355    HB2  LEU  43           2HB      LEU  43   0.682  -4.522  -4.784
  356    HB3  LEU  43           3HB      LEU  43   2.183  -5.227  -4.199
  357    HG   LEU  43           HG       LEU  43   1.910  -3.197  -6.449
  358   HD11  LEU  43          1HD1      LEU  43   3.115  -2.898  -3.685
  359   HD12  LEU  43          2HD1      LEU  43   1.591  -2.202  -4.239
  360   HD13  LEU  43          3HD1      LEU  43   3.110  -1.671  -4.956
  361   HD21  LEU  43          3HD2      LEU  43   4.379  -3.181  -6.498
  362   HD22  LEU  43          1HD2      LEU  43   3.716  -4.743  -6.973
  363   HD23  LEU  43          2HD2      LEU  43   4.409  -4.529  -5.363
  364    H    THR  44           H        THR  44   2.324  -7.435  -4.138
  365    HA   THR  44           HA       THR  44  -0.060  -9.202  -4.018
  366    HB   THR  44           HB       THR  44   1.273 -10.796  -2.762
  367    HG1  THR  44           HG1      THR  44   3.586 -10.254  -2.429
  368   HG21  THR  44          3HG2      THR  44   1.577 -10.923  -5.206
  369   HG22  THR  44          1HG2      THR  44   3.064 -11.379  -4.365
  370   HG23  THR  44          2HG2      THR  44   2.921  -9.786  -5.106
  371    H    GLU  45           H        GLU  45  -1.053  -9.533  -1.928
  372    HA   GLU  45           HA       GLU  45  -1.278  -7.283  -0.227
  373    HB2  GLU  45           2HB      GLU  45  -2.070 -10.186   0.245
  374    HB3  GLU  45           3HB      GLU  45  -2.479  -8.877   1.354
  375    HG2  GLU  45           2HG      GLU  45  -3.703  -7.737  -0.514
  376    HG3  GLU  45           3HG      GLU  45  -3.393  -9.146  -1.528
  377    H    THR  46           H        THR  46   1.048  -9.863  -0.213
  378    HA   THR  46           HA       THR  46   2.140  -9.465   2.402
  379    HB   THR  46           HB       THR  46   3.415 -10.589  -0.140
  380    HG1  THR  46           HG1      THR  46   2.744 -12.529   0.605
  381   HG21  THR  46          3HG2      THR  46   5.098 -11.634   1.360
  382   HG22  THR  46          1HG2      THR  46   4.419 -10.770   2.735
  383   HG23  THR  46          2HG2      THR  46   5.193  -9.875   1.424
  384    H    GLN  47           H        GLN  47   3.122  -8.254  -0.850
  385    HA   GLN  47           HA       GLN  47   5.322  -6.685  -0.018
  386    HB2  GLN  47           2HB      GLN  47   3.596  -6.484  -2.517
  387    HB3  GLN  47           3HB      GLN  47   5.082  -5.565  -2.287
  388    HG2  GLN  47           2HG      GLN  47   6.392  -7.622  -2.204
  389    HG3  GLN  47           3HG      GLN  47   4.922  -8.594  -2.303
  390   HE21  GLN  47          1HE2      GLN  47   5.559  -5.678  -4.234
  391   HE22  GLN  47          2HE2      GLN  47   5.654  -6.502  -5.742
  392    H    VAL  48           H        VAL  48   1.923  -5.771  -0.595
  393    HA   VAL  48           HA       VAL  48   2.152  -3.003  -0.019
  394    HB   VAL  48           HB       VAL  48  -0.289  -4.831   0.251
  395   HG11  VAL  48          1HG1      VAL  48  -0.199  -1.784   0.130
  396   HG12  VAL  48          2HG1      VAL  48  -0.669  -2.761   1.521
  397   HG13  VAL  48          3HG1      VAL  48  -1.666  -2.766   0.069
  398   HG21  VAL  48          3HG2      VAL  48  -0.925  -3.977  -1.988
  399   HG22  VAL  48          1HG2      VAL  48   0.629  -4.810  -2.036
  400   HG23  VAL  48          2HG2      VAL  48   0.573  -3.046  -2.068
  401    H    LYS  49           H        LYS  49   1.452  -5.816   2.065
  402    HA   LYS  49           HA       LYS  49   0.963  -4.494   4.513
  403    HB2  LYS  49           2HB      LYS  49   0.434  -6.851   4.179
  404    HB3  LYS  49           3HB      LYS  49   2.129  -7.245   3.924
  405    HG2  LYS  49           2HG      LYS  49   2.584  -6.621   6.310
  406    HG3  LYS  49           3HG      LYS  49   0.855  -6.344   6.534
  407    HD2  LYS  49           2HD      LYS  49   1.470  -8.561   7.368
  408    HD3  LYS  49           3HD      LYS  49   0.401  -8.717   5.972
  409    HE2  LYS  49           2HE      LYS  49   2.210 -10.356   5.824
  410    HE3  LYS  49           3HE      LYS  49   2.389  -9.170   4.530
  411    HZ1  LYS  49           3HZ      LYS  49   3.917  -9.279   7.073
  412    HZ2  LYS  49           1HZ      LYS  49   4.038  -8.021   5.949
  413    HZ3  LYS  49           2HZ      LYS  49   4.506  -9.585   5.521
  414    H    ILE  50           H        ILE  50   4.011  -5.797   3.179
  415    HA   ILE  50           HA       ILE  50   5.718  -5.113   5.341
  416    HB   ILE  50           HB       ILE  50   6.375  -5.673   2.408
  417   HG12  ILE  50          2HG1      ILE  50   6.552  -7.521   4.851
  418   HG13  ILE  50          3HG1      ILE  50   5.267  -7.560   3.649
  419   HG21  ILE  50          1HG2      ILE  50   8.231  -4.422   3.450
  420   HG22  ILE  50          2HG2      ILE  50   8.714  -6.089   3.146
  421   HG23  ILE  50          3HG2      ILE  50   8.292  -5.578   4.783
  422   HD11  ILE  50          3HD1      ILE  50   6.860  -9.329   3.271
  423   HD12  ILE  50          1HD1      ILE  50   8.178  -8.164   3.147
  424   HD13  ILE  50          2HD1      ILE  50   6.898  -8.186   1.930
  425    H    TRP  51           H        TRP  51   5.056  -3.510   2.207
  426    HA   TRP  51           HA       TRP  51   6.731  -1.296   2.404
  427    HB2  TRP  51           2HB      TRP  51   5.415  -1.959   0.343
  428    HB3  TRP  51           3HB      TRP  51   3.967  -1.313   1.100
  429    HD1  TRP  51           HD1      TRP  51   7.239  -0.153  -0.576
  430    HE1  TRP  51           HE1      TRP  51   7.061   2.338  -1.144
  431    HE3  TRP  51           HE3      TRP  51   2.848   0.903   1.798
  432    HZ2  TRP  51           HZ2      TRP  51   5.312   4.485  -0.638
  433    HZ3  TRP  51           HZ3      TRP  51   1.990   3.207   1.726
  434    HH2  TRP  51           HH2      TRP  51   3.200   4.964   0.531
  435    H    PHE  52           H        PHE  52   3.220  -1.359   3.199
  436    HA   PHE  52           HA       PHE  52   2.935   1.069   4.465
  437    HB2  PHE  52           2HB      PHE  52   1.446  -1.524   4.619
  438    HB3  PHE  52           3HB      PHE  52   1.130  -0.399   5.932
  439    HD1  PHE  52           HD1      PHE  52   1.340  -0.403   2.165
  440    HD2  PHE  52           HD2      PHE  52  -0.603   1.162   5.637
  441    HE1  PHE  52           HE1      PHE  52  -0.196   0.872   0.735
  442    HE2  PHE  52           HE2      PHE  52  -2.139   2.434   4.199
  443    HZ   PHE  52           HZ       PHE  52  -1.936   2.295   1.746
  444    H    GLN  53           H        GLN  53   4.011  -1.978   6.027
  445    HA   GLN  53           HA       GLN  53   4.203  -1.122   8.684
  446    HB2  GLN  53           2HB      GLN  53   4.453  -3.482   8.029
  447    HB3  GLN  53           3HB      GLN  53   5.969  -3.123   7.208
  448    HG2  GLN  53           2HG      GLN  53   6.958  -2.465   9.418
  449    HG3  GLN  53           3HG      GLN  53   5.453  -2.950  10.195
  450   HE21  GLN  53          1HE2      GLN  53   8.329  -4.083   8.580
  451   HE22  GLN  53          2HE2      GLN  53   8.167  -5.739   9.040
  452    H    ASN  54           H        ASN  54   6.833  -1.141   6.222
  453    HA   ASN  54           HA       ASN  54   8.788   0.118   7.859
  454    HB2  ASN  54           2HB      ASN  54   8.617  -0.173   4.830
  455    HB3  ASN  54           3HB      ASN  54  10.008   0.537   5.645
  456   HD21  ASN  54          1HD2      ASN  54   8.456  -2.409   4.791
  457   HD22  ASN  54          2HD2      ASN  54   9.605  -3.473   5.511
  458    H    ARG  55           H        ARG  55   6.465   1.472   5.523
  459    HA   ARG  55           HA       ARG  55   7.431   4.129   5.526
  460    HB2  ARG  55           2HB      ARG  55   4.602   3.174   4.981
  461    HB3  ARG  55           3HB      ARG  55   5.252   4.756   4.544
  462    HG2  ARG  55           2HG      ARG  55   6.226   2.092   3.485
  463    HG3  ARG  55           3HG      ARG  55   5.168   3.210   2.637
  464    HD2  ARG  55           2HD      ARG  55   8.042   3.762   3.450
  465    HD3  ARG  55           3HD      ARG  55   7.478   3.341   1.822
  466    HE   ARG  55           HE       ARG  55   6.042   5.468   2.095
  467   HH11  ARG  55          1HH1      ARG  55   9.235   5.174   3.394
  468   HH12  ARG  55          2HH1      ARG  55   9.560   6.859   3.236
  469   HH21  ARG  55          1HH2      ARG  55   6.479   7.603   1.924
  470   HH22  ARG  55          2HH2      ARG  55   8.010   8.221   2.436
  471    H    ARG  56           H        ARG  56   5.117   2.529   7.703
  472    HA   ARG  56           HA       ARG  56   4.318   4.801   9.204
  473    HB2  ARG  56           2HB      ARG  56   4.641   1.907  10.096
  474    HB3  ARG  56           3HB      ARG  56   3.839   3.157  11.047
  475    HG2  ARG  56           2HG      ARG  56   2.067   3.367   9.426
  476    HG3  ARG  56           3HG      ARG  56   2.927   2.342   8.278
  477    HD2  ARG  56           2HD      ARG  56   2.752   0.475  10.009
  478    HD3  ARG  56           3HD      ARG  56   1.626   1.521  10.883
  479    HE   ARG  56           HE       ARG  56   0.363   1.517   8.645
  480   HH11  ARG  56          1HH1      ARG  56   2.124  -1.220   9.842
  481   HH12  ARG  56          2HH1      ARG  56   1.101  -2.353   9.032
  482   HH21  ARG  56          1HH2      ARG  56  -0.892   0.046   7.608
  483   HH22  ARG  56          2HH2      ARG  56  -0.581  -1.645   7.779
  484    H    TYR  57           H        TYR  57   7.078   2.613   9.489
  485    HA   TYR  57           HA       TYR  57   8.362   3.853  11.711
  486    HB2  TYR  57           2HB      TYR  57   8.862   1.561  11.121
  487    HB3  TYR  57           3HB      TYR  57   9.323   2.013   9.487
  488    HD1  TYR  57           HD1      TYR  57  10.342   2.828  13.023
  489    HD2  TYR  57           HD2      TYR  57  11.629   2.012   9.029
  490    HE1  TYR  57           HE1      TYR  57  12.679   2.931  13.763
  491    HE2  TYR  57           HE2      TYR  57  13.968   2.117   9.762
  492    HH   TYR  57           HH       TYR  57  14.876   2.131  13.045
  493    H    LYS  58           H        LYS  58   8.361   4.540   8.251
  494    HA   LYS  58           HA       LYS  58  10.712   6.250   8.254
  495    HB2  LYS  58           2HB      LYS  58   8.588   5.766   6.132
  496    HB3  LYS  58           3HB      LYS  58   9.986   6.800   5.883
  497    HG2  LYS  58           2HG      LYS  58  10.243   3.852   6.563
  498    HG3  LYS  58           3HG      LYS  58  10.080   4.434   4.911
  499    HD2  LYS  58           2HD      LYS  58  12.405   4.147   5.190
  500    HD3  LYS  58           3HD      LYS  58  12.170   5.881   5.381
  501    HE2  LYS  58           2HE      LYS  58  12.259   5.555   7.872
  502    HE3  LYS  58           3HE      LYS  58  12.605   3.848   7.593
  503    HZ1  LYS  58           3HZ      LYS  58  14.275   6.126   6.690
  504    HZ2  LYS  58           1HZ      LYS  58  14.607   4.496   6.407
  505    HZ3  LYS  58           2HZ      LYS  58  14.616   5.097   7.982
  506    H    THR  59           H        THR  59   7.245   6.717   8.515
  507    HA   THR  59           HA       THR  59   7.472   9.660   8.357
  508    HB   THR  59           HB       THR  59   4.998   9.690   8.200
  509    HG1  THR  59           HG1      THR  59   4.801   6.936   7.843
  510   HG21  THR  59          3HG2      THR  59   4.739   8.630   5.984
  511   HG22  THR  59          1HG2      THR  59   6.227   7.719   6.230
  512   HG23  THR  59          2HG2      THR  59   6.284   9.479   6.088
  513    H    LYS  60           H        LYS  60   7.488   7.197  10.646
  514    HA   LYS  60           HA       LYS  60   6.263   8.459  12.880
  515    HB2  LYS  60           2HB      LYS  60   6.860   6.072  12.897
  516    HB3  LYS  60           3HB      LYS  60   8.567   6.463  12.746
  517    HG2  LYS  60           2HG      LYS  60   8.572   7.464  14.978
  518    HG3  LYS  60           3HG      LYS  60   6.835   7.211  15.128
  519    HD2  LYS  60           2HD      LYS  60   8.809   4.923  14.788
  520    HD3  LYS  60           3HD      LYS  60   8.351   5.565  16.364
  521    HE2  LYS  60           2HE      LYS  60   6.999   3.628  15.980
  522    HE3  LYS  60           3HE      LYS  60   5.945   5.025  15.797
  523    HZ1  LYS  60           3HZ      LYS  60   6.100   4.786  13.397
  524    HZ2  LYS  60           1HZ      LYS  60   5.556   3.350  14.102
  525    HZ3  LYS  60           2HZ      LYS  60   7.152   3.470  13.567
  526    H    ARG  61           H        ARG  61   7.240   9.680  14.572
  527    HA   ARG  61           HA       ARG  61   8.879  11.812  13.807
  528    HB2  ARG  61           2HB      ARG  61   8.114  10.778  16.564
  529    HB3  ARG  61           3HB      ARG  61   9.114  12.209  16.358
  530    HG2  ARG  61           2HG      ARG  61   6.838  12.906  16.731
  531    HG3  ARG  61           3HG      ARG  61   7.293  13.297  15.075
  532    HD2  ARG  61           2HD      ARG  61   6.077  11.232  14.311
  533    HD3  ARG  61           3HD      ARG  61   5.537  10.981  15.975
  534    HE   ARG  61           HE       ARG  61   4.728  13.514  15.412
  535   HH11  ARG  61          1HH1      ARG  61   4.154  10.467  13.851
  536   HH12  ARG  61          2HH1      ARG  61   2.644  10.981  13.198
  537   HH21  ARG  61          1HH2      ARG  61   2.801  14.126  14.555
  538   HH22  ARG  61          2HH2      ARG  61   1.888  13.023  13.585
  539    H    LYS  62           H        LYS  62  11.039  12.200  13.868
  540    HA   LYS  62           HA       LYS  62  12.718   9.909  13.619
  541    HB2  LYS  62           2HB      LYS  62  12.843  11.967  12.164
  542    HB3  LYS  62           3HB      LYS  62  13.529  12.844  13.522
  543    HG2  LYS  62           2HG      LYS  62  15.312  12.189  12.020
  544    HG3  LYS  62           3HG      LYS  62  15.482  11.291  13.531
  545    HD2  LYS  62           2HD      LYS  62  15.898   9.823  11.595
  546    HD3  LYS  62           3HD      LYS  62  14.461   9.295  12.474
  547    HE2  LYS  62           2HE      LYS  62  13.010  10.316  10.784
  548    HE3  LYS  62           3HE      LYS  62  14.411  10.986   9.946
  549    HZ1  LYS  62           3HZ      LYS  62  13.928   8.089  10.321
  550    HZ2  LYS  62           1HZ      LYS  62  15.128   8.807   9.380
  551    HZ3  LYS  62           2HZ      LYS  62  13.510   8.951   8.933
  552    H    GLN  63           H        GLN  63  12.623   9.067  15.757
  553    HA   GLN  63           HA       GLN  63  14.359  10.364  17.783
  554    HB2  GLN  63           2HB      GLN  63  12.103   8.343  18.148
  555    HB3  GLN  63           3HB      GLN  63  13.127   8.939  19.447
  556    HG2  GLN  63           2HG      GLN  63  11.208  10.614  17.792
  557    HG3  GLN  63           3HG      GLN  63  10.929  10.044  19.438
  558   HE21  GLN  63          1HE2      GLN  63  12.147  10.991  21.138
  559   HE22  GLN  63          2HE2      GLN  63  12.932  12.516  20.945
  560    H    LEU  64           H        LEU  64  15.440   8.696  19.225
  561    HA   LEU  64           HA       LEU  64  17.203   7.101  17.650
  562    HB2  LEU  64           2HB      LEU  64  16.868   7.321  20.660
  563    HB3  LEU  64           3HB      LEU  64  18.129   6.366  19.907
  564    HG   LEU  64           HG       LEU  64  19.142   8.416  20.617
  565   HD11  LEU  64          1HD1      LEU  64  20.004   9.398  18.547
  566   HD12  LEU  64          2HD1      LEU  64  18.719   8.617  17.624
  567   HD13  LEU  64          3HD1      LEU  64  19.933   7.639  18.451
  568   HD21  LEU  64          3HD2      LEU  64  16.988   9.982  19.152
  569   HD22  LEU  64          1HD2      LEU  64  18.384  10.666  19.991
  570   HD23  LEU  64          2HD2      LEU  64  17.142   9.812  20.902
  571    H    SER  65           H        SER  65  14.198   6.384  19.146
  572    HA   SER  65           HA       SER  65  12.798   4.634  19.065
  573    HB2  SER  65           2HB      SER  65  13.536   4.177  16.774
  574    HB3  SER  65           3HB      SER  65  14.923   3.264  17.363
  575    HG   SER  65           HG       SER  65  13.610   1.631  17.198
  576    H    SER  66           H        SER  66  15.948   2.917  19.298
  577    HA   SER  66           HA       SER  66  15.171   1.889  21.967
  578    HB2  SER  66           2HB      SER  66  17.043   0.665  19.896
  579    HB3  SER  66           3HB      SER  66  16.754   0.000  21.505
  580    HG   SER  66           HG       SER  66  15.159  -1.002  20.598
  581    H    GLU  67           H        GLU  67  17.442   1.137  23.090
  582    HA   GLU  67           HA       GLU  67  18.929   3.626  23.558
  583    HB2  GLU  67           2HB      GLU  67  18.958   1.012  25.124
  584    HB3  GLU  67           3HB      GLU  67  19.670   2.543  25.636
  585    HG2  GLU  67           2HG      GLU  67  17.458   3.570  25.782
  586    HG3  GLU  67           3HG      GLU  67  16.705   2.102  25.158
  587    H    LEU  68           H        LEU  68  20.537   3.803  22.045
  588    HA   LEU  68           HA       LEU  68  22.188   1.545  21.210
  589    HB2  LEU  68           2HB      LEU  68  22.125   4.467  20.340
  590    HB3  LEU  68           3HB      LEU  68  23.315   3.324  19.747
  591    HG   LEU  68           HG       LEU  68  21.419   1.939  18.775
  592   HD11  LEU  68          1HD1      LEU  68  19.684   4.336  19.444
  593   HD12  LEU  68          2HD1      LEU  68  19.567   2.728  20.161
  594   HD13  LEU  68          3HD1      LEU  68  19.214   2.951  18.452
  595   HD21  LEU  68          3HD2      LEU  68  22.736   3.436  17.356
  596   HD22  LEU  68          1HD2      LEU  68  21.660   4.785  17.733
  597   HD23  LEU  68          2HD2      LEU  68  21.060   3.395  16.822
  598    H    GLY  69           H        GLY  69  23.564   0.970  22.841
  599    HA2  GLY  69           2HA      GLY  69  25.859   1.296  23.610
  600    HA3  GLY  69           3HA      GLY  69  25.491   2.990  23.898
  Start of MODEL    9
    1    H1   MET   1           1H       MET   1  24.081   2.039  13.626
    2    H2   MET   1           2H       MET   1  23.139   2.890  14.739
    3    H3   MET   1           3H       MET   1  22.399   2.050  13.475
    4    HA   MET   1           HA       MET   1  23.904   0.868  15.730
    5    HB2  MET   1           2HB      MET   1  21.731   1.612  16.485
    6    HB3  MET   1           3HB      MET   1  20.937   0.968  15.054
    7    HG2  MET   1           2HG      MET   1  20.541  -0.364  17.131
    8    HG3  MET   1           3HG      MET   1  21.246  -1.302  15.810
    9    HE1  MET   1           3HE      MET   1  22.080  -3.270  17.314
   10    HE2  MET   1           1HE      MET   1  21.281  -2.516  18.696
   11    HE3  MET   1           2HE      MET   1  22.957  -3.048  18.827
   12    H    GLY   2           H        GLY   2  24.753  -1.095  15.368
   13    HA2  GLY   2           2HA      GLY   2  25.133  -3.200  14.565
   14    HA3  GLY   2           3HA      GLY   2  23.491  -3.205  13.948
   15    H    HIS   3           H        HIS   3  23.717  -3.997  11.923
   16    HA   HIS   3           HA       HIS   3  25.753  -2.898  10.075
   17    HB2  HIS   3           2HB      HIS   3  23.972  -5.366   9.796
   18    HB3  HIS   3           3HB      HIS   3  25.208  -4.863   8.644
   19    HD1  HIS   3           HD1      HIS   3  24.737  -7.075  11.435
   20    HD2  HIS   3           HD2      HIS   3  27.916  -4.827   9.987
   21    HE1  HIS   3           HE1      HIS   3  26.792  -8.079  12.446
   22    HE2  HIS   3           HE2      HIS   3  28.710  -6.802  11.445
   23    H    HIS   4           H        HIS   4  25.149  -1.620   8.402
   24    HA   HIS   4           HA       HIS   4  22.525  -0.491   8.255
   25    HB2  HIS   4           2HB      HIS   4  24.775  -0.186   6.221
   26    HB3  HIS   4           3HB      HIS   4  23.405   0.896   6.447
   27    HD1  HIS   4           HD1      HIS   4  23.511   2.483   8.556
   28    HD2  HIS   4           HD2      HIS   4  26.933   0.220   7.934
   29    HE1  HIS   4           HE1      HIS   4  25.282   3.538   9.971
   30    HE2  HIS   4           HE2      HIS   4  27.270   2.029   9.736
   31    H    HIS   5           H        HIS   5  20.884  -1.847   7.536
   32    HA   HIS   5           HA       HIS   5  21.258  -3.766   5.399
   33    HB2  HIS   5           2HB      HIS   5  18.867  -4.310   5.725
   34    HB3  HIS   5           3HB      HIS   5  19.730  -4.282   7.255
   35    HD1  HIS   5           HD1      HIS   5  18.616  -2.980   9.074
   36    HD2  HIS   5           HD2      HIS   5  17.257  -1.806   5.332
   37    HE1  HIS   5           HE1      HIS   5  16.775  -1.347   9.507
   38    HE2  HIS   5           HE2      HIS   5  16.125  -0.504   7.237
   39    H    HIS   6           H        HIS   6  19.969  -3.813   3.410
   40    HA   HIS   6           HA       HIS   6  19.881  -1.248   2.049
   41    HB2  HIS   6           2HB      HIS   6  19.457  -4.096   1.091
   42    HB3  HIS   6           3HB      HIS   6  19.296  -2.704   0.027
   43    HD1  HIS   6           HD1      HIS   6  21.821  -4.898   1.632
   44    HD2  HIS   6           HD2      HIS   6  21.740  -1.343  -0.523
   45    HE1  HIS   6           HE1      HIS   6  24.191  -4.475   0.936
   46    HE2  HIS   6           HE2      HIS   6  24.142  -2.221  -0.173
   47    H    HIS   7           H        HIS   7  18.024  -0.863   0.488
   48    HA   HIS   7           HA       HIS   7  15.502  -0.759   1.969
   49    HB2  HIS   7           2HB      HIS   7  16.288   0.507  -0.696
   50    HB3  HIS   7           3HB      HIS   7  14.816   0.855   0.209
   51    HD1  HIS   7           HD1      HIS   7  14.973   2.728   1.883
   52    HD2  HIS   7           HD2      HIS   7  18.716   1.424   0.664
   53    HE1  HIS   7           HE1      HIS   7  16.601   4.337   2.893
   54    HE2  HIS   7           HE2      HIS   7  18.849   3.366   2.350
   55    H    HIS   8           H        HIS   8  13.615  -1.859   1.374
   56    HA   HIS   8           HA       HIS   8  13.705  -4.026  -0.508
   57    HB2  HIS   8           2HB      HIS   8  11.238  -2.765   0.774
   58    HB3  HIS   8           3HB      HIS   8  11.302  -4.330  -0.019
   59    HD1  HIS   8           HD1      HIS   8  11.614  -2.742   3.234
   60    HD2  HIS   8           HD2      HIS   8  12.935  -6.284   1.509
   61    HE1  HIS   8           HE1      HIS   8  12.186  -4.263   5.145
   62    HE2  HIS   8           HE2      HIS   8  13.034  -6.367   4.082
   63    H    SER   9           H        SER   9  14.316  -3.075  -2.503
   64    HA   SER   9           HA       SER   9  12.746  -0.888  -3.682
   65    HB2  SER   9           2HB      SER   9  15.257  -0.841  -3.681
   66    HB3  SER   9           3HB      SER   9  15.265  -2.272  -4.711
   67    HG   SER   9           HG       SER   9  15.354  -0.740  -6.185
   68    H    HIS  10           H        HIS  10  11.388  -3.426  -3.468
   69    HA   HIS  10           HA       HIS  10  11.284  -4.618  -6.152
   70    HB2  HIS  10           2HB      HIS  10   9.939  -5.340  -3.518
   71    HB3  HIS  10           3HB      HIS  10   9.638  -6.206  -5.020
   72    HD1  HIS  10           HD1      HIS  10  10.737  -8.412  -4.622
   73    HD2  HIS  10           HD2      HIS  10  13.210  -5.256  -3.541
   74    HE1  HIS  10           HE1      HIS  10  12.934  -9.452  -4.023
   75    HE2  HIS  10           HE2      HIS  10  14.457  -7.511  -3.550
   76    H    MET  11           H        MET  11  10.396  -1.877  -5.764
   77    HA   MET  11           HA       MET  11   7.762  -1.931  -6.988
   78    HB2  MET  11           2HB      MET  11   8.287  -0.375  -4.408
   79    HB3  MET  11           3HB      MET  11   6.900  -0.094  -5.448
   80    HG2  MET  11           2HG      MET  11   6.050  -2.319  -4.986
   81    HG3  MET  11           3HG      MET  11   7.488  -2.713  -4.044
   82    HE1  MET  11           3HE      MET  11   5.953  -3.503  -2.006
   83    HE2  MET  11           1HE      MET  11   4.523  -3.127  -2.971
   84    HE3  MET  11           2HE      MET  11   4.667  -2.505  -1.328
   85    H    SER  12           H        SER  12   7.357  -0.002  -8.218
   86    HA   SER  12           HA       SER  12   9.793   1.488  -8.961
   87    HB2  SER  12           2HB      SER  12   7.050   1.409 -10.269
   88    HB3  SER  12           3HB      SER  12   8.427   2.321 -10.885
   89    HG   SER  12           HG       SER  12   8.709   0.513 -11.954
   90    H    HIS  13           H        HIS  13   9.483   3.906  -9.459
   91    HA   HIS  13           HA       HIS  13   9.017   5.209  -6.998
   92    HB2  HIS  13           2HB      HIS  13  10.671   6.014  -8.666
   93    HB3  HIS  13           3HB      HIS  13   9.366   6.479  -9.749
   94    HD1  HIS  13           HD1      HIS  13  10.847   7.403  -6.395
   95    HD2  HIS  13           HD2      HIS  13   8.297   9.003  -9.255
   96    HE1  HIS  13           HE1      HIS  13  10.398   9.751  -5.657
   97    HE2  HIS  13           HE2      HIS  13   8.727  10.639  -7.306
   98    H    THR  14           H        THR  14   7.117   5.373 -10.063
   99    HA   THR  14           HA       THR  14   5.128   7.171  -9.069
  100    HB   THR  14           HB       THR  14   4.914   5.296 -11.471
  101    HG1  THR  14           HG1      THR  14   5.453   7.668 -12.347
  102   HG21  THR  14          3HG2      THR  14   3.300   6.962 -12.350
  103   HG22  THR  14          1HG2      THR  14   3.451   7.902 -10.866
  104   HG23  THR  14          2HG2      THR  14   2.730   6.293 -10.819
  105    H    GLN  15           H        GLN  15   5.395   3.662  -9.227
  106    HA   GLN  15           HA       GLN  15   2.803   2.920  -8.391
  107    HB2  GLN  15           2HB      GLN  15   4.288   1.263  -9.333
  108    HB3  GLN  15           3HB      GLN  15   5.500   1.555  -8.090
  109    HG2  GLN  15           2HG      GLN  15   4.143   0.500  -6.399
  110    HG3  GLN  15           3HG      GLN  15   2.752   0.412  -7.491
  111   HE21  GLN  15          1HE2      GLN  15   2.752  -1.166  -9.113
  112   HE22  GLN  15          2HE2      GLN  15   3.823  -2.514  -9.080
  113    H    VAL  16           H        VAL  16   5.767   3.604  -6.495
  114    HA   VAL  16           HA       VAL  16   4.683   3.291  -3.911
  115    HB   VAL  16           HB       VAL  16   7.072   4.905  -4.896
  116   HG11  VAL  16          1HG1      VAL  16   6.293   6.014  -2.835
  117   HG12  VAL  16          2HG1      VAL  16   7.823   5.186  -2.555
  118   HG13  VAL  16          3HG1      VAL  16   6.314   4.472  -1.974
  119   HG21  VAL  16          3HG2      VAL  16   8.389   3.079  -3.854
  120   HG22  VAL  16          1HG2      VAL  16   7.263   2.448  -5.056
  121   HG23  VAL  16          2HG2      VAL  16   6.899   2.283  -3.338
  122    H    ILE  17           H        ILE  17   4.681   6.103  -6.096
  123    HA   ILE  17           HA       ILE  17   3.562   8.013  -4.332
  124    HB   ILE  17           HB       ILE  17   3.223   7.799  -7.361
  125   HG12  ILE  17          2HG1      ILE  17   5.183   9.483  -5.723
  126   HG13  ILE  17          3HG1      ILE  17   5.595   8.012  -6.593
  127   HG21  ILE  17          1HG2      ILE  17   1.467   9.234  -6.398
  128   HG22  ILE  17          2HG2      ILE  17   2.612  10.196  -7.329
  129   HG23  ILE  17          3HG2      ILE  17   2.687  10.198  -5.564
  130   HD11  ILE  17          3HD1      ILE  17   6.311   9.965  -7.812
  131   HD12  ILE  17          1HD1      ILE  17   4.666  10.601  -7.832
  132   HD13  ILE  17          2HD1      ILE  17   5.052   9.120  -8.713
  133    H    GLU  18           H        GLU  18   1.959   5.714  -6.578
  134    HA   GLU  18           HA       GLU  18  -0.734   6.287  -6.041
  135    HB2  GLU  18           2HB      GLU  18   0.512   3.580  -6.676
  136    HB3  GLU  18           3HB      GLU  18  -1.192   3.979  -6.849
  137    HG2  GLU  18           2HG      GLU  18   1.039   5.314  -8.399
  138    HG3  GLU  18           3HG      GLU  18   0.112   3.943  -8.988
  139    H    LEU  19           H        LEU  19   1.456   3.972  -4.449
  140    HA   LEU  19           HA       LEU  19  -0.214   2.973  -2.423
  141    HB2  LEU  19           2HB      LEU  19   2.792   3.421  -2.530
  142    HB3  LEU  19           3HB      LEU  19   2.016   2.586  -1.200
  143    HG   LEU  19           HG       LEU  19   1.799   1.594  -4.066
  144   HD11  LEU  19          1HD1      LEU  19   4.176   1.661  -3.515
  145   HD12  LEU  19          2HD1      LEU  19   3.601   0.003  -3.590
  146   HD13  LEU  19          3HD1      LEU  19   3.882   0.767  -2.024
  147   HD21  LEU  19          3HD2      LEU  19   1.382   0.188  -1.406
  148   HD22  LEU  19          1HD2      LEU  19   1.239  -0.550  -3.007
  149   HD23  LEU  19          2HD2      LEU  19   0.118   0.715  -2.520
  150    H    GLU  20           H        GLU  20   1.763   5.946  -2.549
  151    HA   GLU  20           HA       GLU  20   1.417   6.768   0.163
  152    HB2  GLU  20           2HB      GLU  20   2.334   8.288  -2.298
  153    HB3  GLU  20           3HB      GLU  20   2.253   9.031  -0.706
  154    HG2  GLU  20           2HG      GLU  20   3.911   7.444   0.147
  155    HG3  GLU  20           3HG      GLU  20   3.965   6.628  -1.415
  156    H    ARG  21           H        ARG  21  -0.513   7.374  -2.766
  157    HA   ARG  21           HA       ARG  21  -2.247   9.341  -1.709
  158    HB2  ARG  21           2HB      ARG  21  -2.585   7.258  -3.865
  159    HB3  ARG  21           3HB      ARG  21  -4.021   8.092  -3.295
  160    HG2  ARG  21           2HG      ARG  21  -3.219   9.186  -5.283
  161    HG3  ARG  21           3HG      ARG  21  -2.991  10.270  -3.911
  162    HD2  ARG  21           2HD      ARG  21  -0.617   9.770  -3.851
  163    HD3  ARG  21           3HD      ARG  21  -0.801   8.531  -5.094
  164    HE   ARG  21           HE       ARG  21  -0.732  11.416  -5.466
  165   HH11  ARG  21          1HH1      ARG  21  -1.395   8.361  -6.963
  166   HH12  ARG  21          2HH1      ARG  21  -1.177   8.990  -8.556
  167   HH21  ARG  21          1HH2      ARG  21  -0.469  12.166  -7.518
  168   HH22  ARG  21          2HH2      ARG  21  -0.672  11.099  -8.866
  169    H    LYS  22           H        LYS  22  -2.510   5.785  -1.575
  170    HA   LYS  22           HA       LYS  22  -4.905   5.687  -0.012
  171    HB2  LYS  22           2HB      LYS  22  -3.932   3.846  -1.505
  172    HB3  LYS  22           3HB      LYS  22  -2.763   3.528  -0.231
  173    HG2  LYS  22           2HG      LYS  22  -4.531   1.918  -0.034
  174    HG3  LYS  22           3HG      LYS  22  -4.677   3.041   1.324
  175    HD2  LYS  22           2HD      LYS  22  -6.463   4.267   0.108
  176    HD3  LYS  22           3HD      LYS  22  -6.320   3.135  -1.238
  177    HE2  LYS  22           2HE      LYS  22  -7.014   1.296   0.272
  178    HE3  LYS  22           3HE      LYS  22  -7.194   2.461   1.583
  179    HZ1  LYS  22           3HZ      LYS  22  -8.706   2.502  -0.971
  180    HZ2  LYS  22           1HZ      LYS  22  -8.893   3.591   0.308
  181    HZ3  LYS  22           2HZ      LYS  22  -9.303   1.972   0.511
  182    H    PHE  23           H        PHE  23  -1.475   5.637   0.752
  183    HA   PHE  23           HA       PHE  23  -1.608   5.130   3.540
  184    HB2  PHE  23           2HB      PHE  23   0.396   4.770   2.072
  185    HB3  PHE  23           3HB      PHE  23   0.563   6.511   1.913
  186    HD1  PHE  23           HD2      PHE  23   0.551   3.777   4.493
  187    HD2  PHE  23           HD1      PHE  23   1.941   7.677   3.432
  188    HE1  PHE  23           HE2      PHE  23   2.014   3.794   6.477
  189    HE2  PHE  23           HE1      PHE  23   3.398   7.681   5.393
  190    HZ   PHE  23           HZ       PHE  23   3.438   5.753   6.917
  191    H    SER  24           H        SER  24  -1.643   8.118   1.611
  192    HA   SER  24           HA       SER  24  -1.541  10.049   3.633
  193    HB2  SER  24           2HB      SER  24  -1.384  10.578   1.212
  194    HB3  SER  24           3HB      SER  24  -3.079  10.153   1.002
  195    HG   SER  24           HG       SER  24  -3.336  12.223   1.365
  196    H    HIS  25           H        HIS  25  -4.295   8.200   2.348
  197    HA   HIS  25           HA       HIS  25  -6.318   9.530   3.871
  198    HB2  HIS  25           2HB      HIS  25  -6.843   8.412   1.753
  199    HB3  HIS  25           3HB      HIS  25  -6.300   6.866   2.389
  200    HD1  HIS  25           HD1      HIS  25  -9.104   9.389   2.846
  201    HD2  HIS  25           HD2      HIS  25  -8.252   5.410   3.684
  202    HE1  HIS  25           HE1      HIS  25 -11.241   8.411   3.713
  203    HE2  HIS  25           HE2      HIS  25 -10.678   6.040   4.313
  204    H    GLN  26           H        GLN  26  -4.514   6.458   4.246
  205    HA   GLN  26           HA       GLN  26  -4.865   6.461   7.112
  206    HB2  GLN  26           2HB      GLN  26  -5.986   4.258   7.267
  207    HB3  GLN  26           3HB      GLN  26  -6.999   5.473   6.496
  208    HG2  GLN  26           2HG      GLN  26  -6.453   4.507   4.275
  209    HG3  GLN  26           3HG      GLN  26  -5.466   3.277   5.074
  210   HE21  GLN  26          1HE2      GLN  26  -6.500   1.657   6.250
  211   HE22  GLN  26          2HE2      GLN  26  -8.182   1.324   6.101
  212    H    LYS  27           H        LYS  27  -3.483   5.075   8.206
  213    HA   LYS  27           HA       LYS  27  -1.022   4.411   6.775
  214    HB2  LYS  27           2HB      LYS  27  -1.666   4.353   9.755
  215    HB3  LYS  27           3HB      LYS  27  -0.058   4.246   9.049
  216    HG2  LYS  27           2HG      LYS  27  -1.858   6.661   8.688
  217    HG3  LYS  27           3HG      LYS  27  -0.718   6.502  10.025
  218    HD2  LYS  27           2HD      LYS  27   1.155   6.342   8.443
  219    HD3  LYS  27           3HD      LYS  27   0.038   6.448   7.077
  220    HE2  LYS  27           2HE      LYS  27   1.196   8.599   7.578
  221    HE3  LYS  27           3HE      LYS  27  -0.560   8.721   7.680
  222    HZ1  LYS  27           3HZ      LYS  27   0.703   9.830   9.493
  223    HZ2  LYS  27           1HZ      LYS  27   1.175   8.305  10.049
  224    HZ3  LYS  27           2HZ      LYS  27  -0.463   8.731  10.022
  225    H    TYR  28           H        TYR  28  -3.722   2.727   8.119
  226    HA   TYR  28           HA       TYR  28  -2.337   0.099   8.031
  227    HB2  TYR  28           2HB      TYR  28  -4.529   0.893  10.012
  228    HB3  TYR  28           3HB      TYR  28  -3.653  -0.635   9.967
  229    HD1  TYR  28           HD2      TYR  28  -1.278  -0.736  10.738
  230    HD2  TYR  28           HD1      TYR  28  -3.542   2.880  11.036
  231    HE1  TYR  28           HE2      TYR  28   0.373   0.174  12.312
  232    HE2  TYR  28           HE1      TYR  28  -1.897   3.783  12.607
  233    HH   TYR  28           HH       TYR  28  -0.205   3.104  14.072
  234    H    LEU  29           H        LEU  29  -3.190  -0.899   6.228
  235    HA   LEU  29           HA       LEU  29  -5.989  -0.529   5.466
  236    HB2  LEU  29           2HB      LEU  29  -3.764  -2.149   4.180
  237    HB3  LEU  29           3HB      LEU  29  -5.388  -2.010   3.523
  238    HG   LEU  29           HG       LEU  29  -3.336   0.212   3.796
  239   HD11  LEU  29          1HD1      LEU  29  -2.925  -1.281   1.913
  240   HD12  LEU  29          2HD1      LEU  29  -3.437   0.308   1.352
  241   HD13  LEU  29          3HD1      LEU  29  -4.577  -1.041   1.334
  242   HD21  LEU  29          3HD2      LEU  29  -6.213   0.429   2.851
  243   HD22  LEU  29          1HD2      LEU  29  -4.992   1.701   2.738
  244   HD23  LEU  29          2HD2      LEU  29  -5.531   1.141   4.316
  245    H    SER  30           H        SER  30  -7.575  -2.080   5.467
  246    HA   SER  30           HA       SER  30  -7.227  -4.509   7.068
  247    HB2  SER  30           2HB      SER  30  -9.683  -3.415   5.626
  248    HB3  SER  30           3HB      SER  30  -9.680  -4.787   6.734
  249    HG   SER  30           HG       SER  30 -10.069  -3.305   8.188
  250    H    ALA  31           H        ALA  31  -8.268  -6.570   6.083
  251    HA   ALA  31           HA       ALA  31  -6.808  -7.541   3.959
  252    HB1  ALA  31           3HB      ALA  31  -8.290  -9.489   3.960
  253    HB2  ALA  31           1HB      ALA  31  -9.499  -8.590   4.891
  254    HB3  ALA  31           2HB      ALA  31  -7.935  -8.971   5.604
  255    HA   PRO  32           HA       PRO  32 -10.506  -6.727   0.770
  256    HB2  PRO  32           2HB      PRO  32 -12.079  -4.498   1.388
  257    HB3  PRO  32           3HB      PRO  32 -12.554  -6.181   1.700
  258    HG2  PRO  32           2HG      PRO  32 -11.328  -4.186   3.582
  259    HG3  PRO  32           3HG      PRO  32 -12.678  -5.314   3.859
  260    HD2  PRO  32           2HD      PRO  32 -10.227  -5.886   4.777
  261    HD3  PRO  32           3HD      PRO  32 -11.252  -7.170   4.092
  262    H    GLU  33           H        GLU  33  -9.597  -3.642   2.464
  263    HA   GLU  33           HA       GLU  33  -9.274  -2.100   0.118
  264    HB2  GLU  33           2HB      GLU  33  -8.194  -1.632   2.925
  265    HB3  GLU  33           3HB      GLU  33  -8.197  -0.416   1.649
  266    HG2  GLU  33           2HG      GLU  33 -10.677  -1.723   2.817
  267    HG3  GLU  33           3HG      GLU  33 -10.055  -0.144   3.284
  268    H    ARG  34           H        ARG  34  -6.903  -3.877   2.058
  269    HA   ARG  34           HA       ARG  34  -4.540  -2.966   0.797
  270    HB2  ARG  34           2HB      ARG  34  -4.611  -4.121   2.998
  271    HB3  ARG  34           3HB      ARG  34  -5.058  -5.621   2.195
  272    HG2  ARG  34           2HG      ARG  34  -2.897  -5.727   1.082
  273    HG3  ARG  34           3HG      ARG  34  -2.455  -4.142   1.714
  274    HD2  ARG  34           2HD      ARG  34  -3.003  -6.589   3.419
  275    HD3  ARG  34           3HD      ARG  34  -1.399  -6.021   2.950
  276    HE   ARG  34           HE       ARG  34  -2.250  -3.847   4.138
  277   HH11  ARG  34          1HH1      ARG  34  -2.797  -7.098   5.226
  278   HH12  ARG  34          2HH1      ARG  34  -2.775  -6.642   6.895
  279   HH21  ARG  34          1HH2      ARG  34  -2.217  -3.325   6.282
  280   HH22  ARG  34          2HH2      ARG  34  -2.456  -4.548   7.480
  281    H    ALA  35           H        ALA  35  -6.713  -5.672   0.104
  282    HA   ALA  35           HA       ALA  35  -5.236  -6.815  -2.055
  283    HB1  ALA  35           3HB      ALA  35  -6.903  -8.087  -0.766
  284    HB2  ALA  35           1HB      ALA  35  -7.281  -8.107  -2.489
  285    HB3  ALA  35           2HB      ALA  35  -8.191  -7.060  -1.396
  286    H    HIS  36           H        HIS  36  -7.818  -4.374  -1.880
  287    HA   HIS  36           HA       HIS  36  -8.334  -4.090  -4.654
  288    HB2  HIS  36           2HB      HIS  36  -8.606  -2.019  -2.434
  289    HB3  HIS  36           3HB      HIS  36  -9.289  -1.856  -4.049
  290    HD1  HIS  36           HD1      HIS  36 -10.103  -5.132  -3.750
  291    HD2  HIS  36           HD2      HIS  36 -11.333  -1.852  -1.528
  292    HE1  HIS  36           HE1      HIS  36 -12.267  -5.805  -2.692
  293    HE2  HIS  36           HE2      HIS  36 -13.078  -3.746  -1.502
  294    H    LEU  37           H        LEU  37  -6.142  -2.263  -2.488
  295    HA   LEU  37           HA       LEU  37  -4.997  -0.563  -4.459
  296    HB2  LEU  37           2HB      LEU  37  -4.909  -0.149  -2.007
  297    HB3  LEU  37           3HB      LEU  37  -3.834  -1.526  -1.817
  298    HG   LEU  37           HG       LEU  37  -2.125  -0.333  -3.232
  299   HD11  LEU  37          1HD1      LEU  37  -3.979   2.058  -3.033
  300   HD12  LEU  37          2HD1      LEU  37  -3.597   1.146  -4.496
  301   HD13  LEU  37          3HD1      LEU  37  -2.332   2.057  -3.680
  302   HD21  LEU  37          3HD2      LEU  37  -2.990   1.153  -0.738
  303   HD22  LEU  37          1HD2      LEU  37  -1.397   1.231  -1.499
  304   HD23  LEU  37          2HD2      LEU  37  -1.966  -0.281  -0.805
  305    H    ALA  38           H        ALA  38  -4.058  -3.754  -3.214
  306    HA   ALA  38           HA       ALA  38  -1.576  -4.124  -4.432
  307    HB1  ALA  38           3HB      ALA  38  -2.498  -5.611  -2.695
  308    HB2  ALA  38           1HB      ALA  38  -1.963  -6.533  -4.103
  309    HB3  ALA  38           2HB      ALA  38  -3.685  -6.233  -3.841
  310    H    LYS  39           H        LYS  39  -4.784  -5.205  -5.685
  311    HA   LYS  39           HA       LYS  39  -3.769  -6.339  -8.070
  312    HB2  LYS  39           2HB      LYS  39  -6.081  -6.585  -8.783
  313    HB3  LYS  39           3HB      LYS  39  -5.940  -6.980  -7.077
  314    HG2  LYS  39           2HG      LYS  39  -6.854  -4.714  -6.515
  315    HG3  LYS  39           3HG      LYS  39  -7.084  -4.415  -8.238
  316    HD2  LYS  39           2HD      LYS  39  -8.420  -6.597  -6.601
  317    HD3  LYS  39           3HD      LYS  39  -9.182  -5.112  -7.165
  318    HE2  LYS  39           2HE      LYS  39  -8.106  -7.327  -8.948
  319    HE3  LYS  39           3HE      LYS  39  -9.804  -7.051  -8.564
  320    HZ1  LYS  39           3HZ      LYS  39  -9.313  -6.121 -10.694
  321    HZ2  LYS  39           1HZ      LYS  39  -8.013  -5.234 -10.085
  322    HZ3  LYS  39           2HZ      LYS  39  -9.589  -4.844  -9.624
  323    H    ASN  40           H        ASN  40  -4.997  -3.041  -7.444
  324    HA   ASN  40           HA       ASN  40  -4.989  -2.132 -10.135
  325    HB2  ASN  40           2HB      ASN  40  -4.787  -0.622  -7.510
  326    HB3  ASN  40           3HB      ASN  40  -4.747   0.219  -9.050
  327   HD21  ASN  40          1HD2      ASN  40  -6.779  -0.902  -6.645
  328   HD22  ASN  40          2HD2      ASN  40  -8.266  -0.840  -7.515
  329    H    LEU  41           H        LEU  41  -2.344  -2.566  -7.886
  330    HA   LEU  41           HA       LEU  41  -0.429  -1.282  -9.768
  331    HB2  LEU  41           2HB      LEU  41  -0.177  -1.878  -6.799
  332    HB3  LEU  41           3HB      LEU  41   1.089  -1.159  -7.784
  333    HG   LEU  41           HG       LEU  41  -1.621   0.105  -7.211
  334   HD11  LEU  41          1HD1      LEU  41  -0.194   0.068  -5.224
  335   HD12  LEU  41          2HD1      LEU  41  -0.398   1.710  -5.829
  336   HD13  LEU  41          3HD1      LEU  41   1.111   0.843  -6.128
  337   HD21  LEU  41          3HD2      LEU  41   0.760   1.234  -8.724
  338   HD22  LEU  41          1HD2      LEU  41  -0.728   2.098  -8.326
  339   HD23  LEU  41          2HD2      LEU  41  -0.778   0.730  -9.432
  340    H    LYS  42           H        LYS  42  -1.524  -4.241  -9.693
  341    HA   LYS  42           HA       LYS  42  -0.803  -6.366  -9.968
  342    HB2  LYS  42           2HB      LYS  42   1.500  -4.787 -11.140
  343    HB3  LYS  42           3HB      LYS  42   1.566  -6.542 -11.113
  344    HG2  LYS  42           2HG      LYS  42   0.813  -5.821 -13.264
  345    HG3  LYS  42           3HG      LYS  42  -0.507  -6.637 -12.448
  346    HD2  LYS  42           2HD      LYS  42  -1.580  -4.472 -11.978
  347    HD3  LYS  42           3HD      LYS  42  -0.208  -3.615 -12.687
  348    HE2  LYS  42           2HE      LYS  42  -0.702  -4.595 -14.882
  349    HE3  LYS  42           3HE      LYS  42  -2.032  -5.525 -14.194
  350    HZ1  LYS  42           3HZ      LYS  42  -1.885  -2.562 -14.352
  351    HZ2  LYS  42           1HZ      LYS  42  -3.149  -3.442 -13.660
  352    HZ3  LYS  42           2HZ      LYS  42  -2.843  -3.565 -15.315
  353    H    LEU  43           H        LEU  43  -0.045  -4.978  -7.375
  354    HA   LEU  43           HA       LEU  43   2.227  -6.561  -6.391
  355    HB2  LEU  43           2HB      LEU  43   0.498  -4.452  -5.040
  356    HB3  LEU  43           3HB      LEU  43   1.852  -5.260  -4.263
  357    HG   LEU  43           HG       LEU  43   2.071  -3.463  -6.708
  358   HD11  LEU  43          1HD1      LEU  43   1.427  -2.154  -4.757
  359   HD12  LEU  43          2HD1      LEU  43   3.085  -1.797  -5.234
  360   HD13  LEU  43          3HD1      LEU  43   2.773  -2.826  -3.833
  361   HD21  LEU  43          3HD2      LEU  43   4.257  -4.722  -5.016
  362   HD22  LEU  43          1HD2      LEU  43   4.500  -3.562  -6.326
  363   HD23  LEU  43          2HD2      LEU  43   3.832  -5.154  -6.675
  364    H    THR  44           H        THR  44   1.778  -7.433  -4.034
  365    HA   THR  44           HA       THR  44  -0.834  -8.852  -3.914
  366    HB   THR  44           HB       THR  44   0.235 -10.621  -2.601
  367    HG1  THR  44           HG1      THR  44   2.627 -10.496  -2.408
  368   HG21  THR  44          3HG2      THR  44   1.914 -10.052  -5.073
  369   HG22  THR  44          1HG2      THR  44   0.371 -10.913  -5.052
  370   HG23  THR  44          2HG2      THR  44   1.781 -11.606  -4.250
  371    H    GLU  45           H        GLU  45  -1.559  -9.286  -1.649
  372    HA   GLU  45           HA       GLU  45  -1.640  -6.967  -0.009
  373    HB2  GLU  45           2HB      GLU  45  -2.305  -9.825   0.832
  374    HB3  GLU  45           3HB      GLU  45  -2.746  -8.365   1.709
  375    HG2  GLU  45           2HG      GLU  45  -4.703  -9.065   0.587
  376    HG3  GLU  45           3HG      GLU  45  -4.101  -7.672  -0.306
  377    H    THR  46           H        THR  46   0.503  -9.733  -0.037
  378    HA   THR  46           HA       THR  46   1.827  -9.393   2.441
  379    HB   THR  46           HB       THR  46   2.895 -10.547  -0.182
  380    HG1  THR  46           HG1      THR  46   2.144 -12.489   0.601
  381   HG21  THR  46          3HG2      THR  46   4.773 -10.025   1.365
  382   HG22  THR  46          1HG2      THR  46   4.545 -11.770   1.210
  383   HG23  THR  46          2HG2      THR  46   3.970 -10.929   2.650
  384    H    GLN  47           H        GLN  47   2.742  -8.293  -0.846
  385    HA   GLN  47           HA       GLN  47   5.041  -6.811  -0.178
  386    HB2  GLN  47           2HB      GLN  47   3.148  -6.452  -2.536
  387    HB3  GLN  47           3HB      GLN  47   4.761  -5.748  -2.425
  388    HG2  GLN  47           2HG      GLN  47   5.754  -8.000  -2.394
  389    HG3  GLN  47           3HG      GLN  47   4.147  -8.720  -2.479
  390   HE21  GLN  47          1HE2      GLN  47   6.577  -6.942  -4.242
  391   HE22  GLN  47          2HE2      GLN  47   5.905  -7.211  -5.804
  392    H    VAL  48           H        VAL  48   1.697  -5.664  -0.745
  393    HA   VAL  48           HA       VAL  48   2.085  -2.921  -0.253
  394    HB   VAL  48           HB       VAL  48  -0.444  -4.609   0.082
  395   HG11  VAL  48          1HG1      VAL  48  -0.726  -2.535   1.363
  396   HG12  VAL  48          2HG1      VAL  48  -1.737  -2.492  -0.080
  397   HG13  VAL  48          3HG1      VAL  48  -0.230  -1.572  -0.030
  398   HG21  VAL  48          3HG2      VAL  48   0.466  -4.618  -2.209
  399   HG22  VAL  48          1HG2      VAL  48   0.474  -2.853  -2.237
  400   HG23  VAL  48          2HG2      VAL  48  -1.057  -3.731  -2.153
  401    H    LYS  49           H        LYS  49   1.339  -5.587   2.017
  402    HA   LYS  49           HA       LYS  49   0.974  -3.962   4.336
  403    HB2  LYS  49           2HB      LYS  49   0.183  -6.317   4.189
  404    HB3  LYS  49           3HB      LYS  49   1.847  -6.880   4.186
  405    HG2  LYS  49           2HG      LYS  49   2.154  -5.972   6.473
  406    HG3  LYS  49           3HG      LYS  49   0.489  -5.393   6.463
  407    HD2  LYS  49           2HD      LYS  49   0.532  -7.430   7.736
  408    HD3  LYS  49           3HD      LYS  49  -0.275  -7.785   6.212
  409    HE2  LYS  49           2HE      LYS  49   2.656  -8.397   6.723
  410    HE3  LYS  49           3HE      LYS  49   1.361  -9.544   7.043
  411    HZ1  LYS  49           3HZ      LYS  49   0.769  -9.449   4.690
  412    HZ2  LYS  49           1HZ      LYS  49   2.360  -9.972   4.918
  413    HZ3  LYS  49           2HZ      LYS  49   2.061  -8.397   4.397
  414    H    ILE  50           H        ILE  50   3.860  -5.565   2.944
  415    HA   ILE  50           HA       ILE  50   5.748  -4.927   4.950
  416    HB   ILE  50           HB       ILE  50   6.182  -5.258   1.941
  417   HG12  ILE  50          2HG1      ILE  50   6.675  -7.250   4.211
  418   HG13  ILE  50          3HG1      ILE  50   5.277  -7.269   3.146
  419   HG21  ILE  50          1HG2      ILE  50   8.596  -5.612   2.446
  420   HG22  ILE  50          2HG2      ILE  50   8.298  -5.204   4.138
  421   HG23  ILE  50          3HG2      ILE  50   8.068  -3.988   2.884
  422   HD11  ILE  50          3HD1      ILE  50   6.892  -8.935   2.482
  423   HD12  ILE  50          1HD1      ILE  50   8.141  -7.702   2.304
  424   HD13  ILE  50          2HD1      ILE  50   6.738  -7.704   1.229
  425    H    TRP  51           H        TRP  51   4.873  -3.146   1.962
  426    HA   TRP  51           HA       TRP  51   6.548  -0.930   2.302
  427    HB2  TRP  51           2HB      TRP  51   5.324  -1.470   0.181
  428    HB3  TRP  51           3HB      TRP  51   3.829  -0.922   0.927
  429    HD1  TRP  51           HD1      TRP  51   7.105   0.463  -0.562
  430    HE1  TRP  51           HE1      TRP  51   6.832   2.961  -1.011
  431    HE3  TRP  51           HE3      TRP  51   2.659   1.218   1.791
  432    HZ2  TRP  51           HZ2      TRP  51   4.990   5.005  -0.431
  433    HZ3  TRP  51           HZ3      TRP  51   1.707   3.477   1.823
  434    HH2  TRP  51           HH2      TRP  51   2.853   5.340   0.734
  435    H    PHE  52           H        PHE  52   3.051  -1.170   3.181
  436    HA   PHE  52           HA       PHE  52   2.797   1.331   4.415
  437    HB2  PHE  52           2HB      PHE  52   1.228  -1.225   4.534
  438    HB3  PHE  52           3HB      PHE  52   0.879  -0.027   5.773
  439    HD1  PHE  52           HD1      PHE  52   1.164  -0.358   2.034
  440    HD2  PHE  52           HD2      PHE  52  -0.658   1.701   5.303
  441    HE1  PHE  52           HE1      PHE  52  -0.250   0.895   0.470
  442    HE2  PHE  52           HE2      PHE  52  -2.072   2.944   3.732
  443    HZ   PHE  52           HZ       PHE  52  -1.868   2.551   1.310
  444    H    GLN  53           H        GLN  53   3.865  -1.735   5.846
  445    HA   GLN  53           HA       GLN  53   3.958  -0.970   8.572
  446    HB2  GLN  53           2HB      GLN  53   4.054  -3.317   7.800
  447    HB3  GLN  53           3HB      GLN  53   5.612  -3.023   7.040
  448    HG2  GLN  53           2HG      GLN  53   6.610  -2.617   9.277
  449    HG3  GLN  53           3HG      GLN  53   5.050  -2.954  10.025
  450   HE21  GLN  53          1HE2      GLN  53   4.446  -5.178   8.173
  451   HE22  GLN  53          2HE2      GLN  53   5.468  -6.476   8.654
  452    H    ASN  54           H        ASN  54   6.566  -1.119   6.137
  453    HA   ASN  54           HA       ASN  54   8.663  -0.007   7.693
  454    HB2  ASN  54           2HB      ASN  54   8.313  -0.235   4.672
  455    HB3  ASN  54           3HB      ASN  54   9.799   0.321   5.430
  456   HD21  ASN  54          1HD2      ASN  54   7.841  -2.368   6.716
  457   HD22  ASN  54          2HD2      ASN  54   9.004  -3.581   6.350
  458    H    ARG  55           H        ARG  55   6.445   1.405   5.356
  459    HA   ARG  55           HA       ARG  55   7.526   3.976   5.105
  460    HB2  ARG  55           2HB      ARG  55   5.635   2.728   3.710
  461    HB3  ARG  55           3HB      ARG  55   4.537   3.501   4.841
  462    HG2  ARG  55           2HG      ARG  55   4.648   4.895   2.921
  463    HG3  ARG  55           3HG      ARG  55   5.569   5.716   4.186
  464    HD2  ARG  55           2HD      ARG  55   7.677   4.879   3.207
  465    HD3  ARG  55           3HD      ARG  55   6.760   4.007   1.954
  466    HE   ARG  55           HE       ARG  55   6.105   6.768   1.960
  467   HH11  ARG  55          1HH1      ARG  55   8.613   4.596   0.950
  468   HH12  ARG  55          2HH1      ARG  55   9.200   5.691  -0.245
  469   HH21  ARG  55          1HH2      ARG  55   6.855   8.107   0.400
  470   HH22  ARG  55          2HH2      ARG  55   8.219   7.644  -0.552
  471    H    ARG  56           H        ARG  56   4.926   2.742   7.221
  472    HA   ARG  56           HA       ARG  56   4.305   5.180   8.527
  473    HB2  ARG  56           2HB      ARG  56   2.863   3.112   8.447
  474    HB3  ARG  56           3HB      ARG  56   3.964   2.320   9.558
  475    HG2  ARG  56           2HG      ARG  56   2.564   4.891  10.322
  476    HG3  ARG  56           3HG      ARG  56   1.739   3.341  10.451
  477    HD2  ARG  56           2HD      ARG  56   3.495   2.529  11.991
  478    HD3  ARG  56           3HD      ARG  56   4.337   4.076  11.857
  479    HE   ARG  56           HE       ARG  56   1.736   4.594  12.709
  480   HH11  ARG  56          1HH1      ARG  56   4.613   3.104  13.961
  481   HH12  ARG  56          2HH1      ARG  56   4.117   3.299  15.605
  482   HH21  ARG  56          1HH2      ARG  56   1.138   4.838  14.792
  483   HH22  ARG  56          2HH2      ARG  56   2.168   4.285  16.074
  484    H    TYR  57           H        TYR  57   6.634   2.577   9.244
  485    HA   TYR  57           HA       TYR  57   7.696   3.642  11.639
  486    HB2  TYR  57           2HB      TYR  57   8.095   1.316  10.934
  487    HB3  TYR  57           3HB      TYR  57   9.004   1.878   9.537
  488    HD1  TYR  57           HD1      TYR  57   9.019   2.019  13.283
  489    HD2  TYR  57           HD2      TYR  57  11.378   2.087   9.713
  490    HE1  TYR  57           HE1      TYR  57  11.065   1.982  14.634
  491    HE2  TYR  57           HE2      TYR  57  13.425   2.051  11.071
  492    HH   TYR  57           HH       TYR  57  13.394   1.392  14.438
  493    H    LYS  58           H        LYS  58   8.287   4.437   8.260
  494    HA   LYS  58           HA       LYS  58  10.705   5.995   8.850
  495    HB2  LYS  58           2HB      LYS  58   9.413   5.183   6.225
  496    HB3  LYS  58           3HB      LYS  58  10.768   6.310   6.314
  497    HG2  LYS  58           2HG      LYS  58  12.046   4.533   7.582
  498    HG3  LYS  58           3HG      LYS  58  10.740   3.411   7.198
  499    HD2  LYS  58           2HD      LYS  58  11.201   3.606   4.812
  500    HD3  LYS  58           3HD      LYS  58  12.371   4.900   5.099
  501    HE2  LYS  58           2HE      LYS  58  13.780   3.298   6.380
  502    HE3  LYS  58           3HE      LYS  58  12.632   2.014   6.001
  503    HZ1  LYS  58           3HZ      LYS  58  14.501   1.966   4.510
  504    HZ2  LYS  58           1HZ      LYS  58  14.229   3.566   4.043
  505    HZ3  LYS  58           2HZ      LYS  58  13.103   2.367   3.655
  506    H    THR  59           H        THR  59   7.378   6.674   8.744
  507    HA   THR  59           HA       THR  59   7.575   9.467   7.980
  508    HB   THR  59           HB       THR  59   5.266   9.708   8.906
  509    HG1  THR  59           HG1      THR  59   5.923   7.319  10.100
  510   HG21  THR  59          3HG2      THR  59   5.542   8.919   6.586
  511   HG22  THR  59          1HG2      THR  59   4.116   8.207   7.345
  512   HG23  THR  59          2HG2      THR  59   5.584   7.252   7.159
  513    H    LYS  60           H        LYS  60   9.154   8.190  10.447
  514    HA   LYS  60           HA       LYS  60   8.542   9.859  12.662
  515    HB2  LYS  60           2HB      LYS  60  11.101   8.402  11.900
  516    HB3  LYS  60           3HB      LYS  60  10.904   9.276  13.416
  517    HG2  LYS  60           2HG      LYS  60   9.101   7.779  14.103
  518    HG3  LYS  60           3HG      LYS  60   9.150   6.956  12.545
  519    HD2  LYS  60           2HD      LYS  60  10.277   5.536  14.108
  520    HD3  LYS  60           3HD      LYS  60  11.518   6.243  13.080
  521    HE2  LYS  60           2HE      LYS  60  10.830   7.269  15.853
  522    HE3  LYS  60           3HE      LYS  60  12.109   6.107  15.524
  523    HZ1  LYS  60           3HZ      LYS  60  13.027   8.285  15.720
  524    HZ2  LYS  60           1HZ      LYS  60  11.986   8.908  14.547
  525    HZ3  LYS  60           2HZ      LYS  60  13.174   7.788  14.115
  526    H    ARG  61           H        ARG  61   8.188  11.887  11.784
  527    HA   ARG  61           HA       ARG  61  10.447  13.659  11.373
  528    HB2  ARG  61           2HB      ARG  61   9.961  12.665   9.075
  529    HB3  ARG  61           3HB      ARG  61   8.343  13.344   9.168
  530    HG2  ARG  61           2HG      ARG  61   9.719  14.776   7.781
  531    HG3  ARG  61           3HG      ARG  61   9.345  15.637   9.279
  532    HD2  ARG  61           2HD      ARG  61  11.705  15.936   8.622
  533    HD3  ARG  61           3HD      ARG  61  11.582  15.086  10.170
  534    HE   ARG  61           HE       ARG  61  11.733  13.249   8.001
  535   HH11  ARG  61          1HH1      ARG  61  13.785  15.385   9.826
  536   HH12  ARG  61          2HH1      ARG  61  15.181  14.398   9.568
  537   HH21  ARG  61          1HH2      ARG  61  13.523  12.039   7.689
  538   HH22  ARG  61          2HH2      ARG  61  15.041  12.528   8.364
  539    H    LYS  62           H        LYS  62   6.948  13.215  11.181
  540    HA   LYS  62           HA       LYS  62   6.464  15.737  12.678
  541    HB2  LYS  62           2HB      LYS  62   5.442  15.758  10.447
  542    HB3  LYS  62           3HB      LYS  62   4.689  14.197  10.739
  543    HG2  LYS  62           2HG      LYS  62   3.243  15.199  12.462
  544    HG3  LYS  62           3HG      LYS  62   4.023  16.764  12.219
  545    HD2  LYS  62           2HD      LYS  62   1.863  16.666  11.040
  546    HD3  LYS  62           3HD      LYS  62   3.196  16.840   9.897
  547    HE2  LYS  62           2HE      LYS  62   3.085  14.383   9.454
  548    HE3  LYS  62           3HE      LYS  62   1.703  14.279  10.547
  549    HZ1  LYS  62           3HZ      LYS  62   1.012  14.410   8.233
  550    HZ2  LYS  62           1HZ      LYS  62   1.811  15.888   8.056
  551    HZ3  LYS  62           2HZ      LYS  62   0.485  15.765   9.092
  552    H    GLN  63           H        GLN  63   5.315  15.580  14.613
  553    HA   GLN  63           HA       GLN  63   5.603  13.348  16.209
  554    HB2  GLN  63           2HB      GLN  63   3.544  15.569  16.542
  555    HB3  GLN  63           3HB      GLN  63   3.975  14.414  17.803
  556    HG2  GLN  63           2HG      GLN  63   6.325  15.286  17.717
  557    HG3  GLN  63           3HG      GLN  63   5.783  16.510  16.566
  558   HE21  GLN  63          1HE2      GLN  63   4.413  18.189  17.309
  559   HE22  GLN  63          2HE2      GLN  63   4.229  18.538  18.991
  560    H    LEU  64           H        LEU  64   4.399  11.616  16.863
  561    HA   LEU  64           HA       LEU  64   2.618  10.420  15.027
  562    HB2  LEU  64           2HB      LEU  64   4.208   9.216  16.575
  563    HB3  LEU  64           3HB      LEU  64   3.128   9.586  17.909
  564    HG   LEU  64           HG       LEU  64   1.327   8.242  16.767
  565   HD11  LEU  64          1HD1      LEU  64   3.516   7.483  14.815
  566   HD12  LEU  64          2HD1      LEU  64   2.076   8.441  14.464
  567   HD13  LEU  64          3HD1      LEU  64   1.912   6.747  14.909
  568   HD21  LEU  64          3HD2      LEU  64   2.685   7.214  18.525
  569   HD22  LEU  64          1HD2      LEU  64   3.882   6.703  17.331
  570   HD23  LEU  64          2HD2      LEU  64   2.248   6.030  17.297
  571    H    SER  65           H        SER  65   2.024  12.499  17.717
  572    HA   SER  65           HA       SER  65  -0.649  12.030  18.386
  573    HB2  SER  65           2HB      SER  65   0.758  13.614  19.634
  574    HB3  SER  65           3HB      SER  65   0.852  14.683  18.235
  575    HG   SER  65           HG       SER  65  -1.639  13.975  19.374
  576    H    SER  66           H        SER  66   0.685  13.594  15.507
  577    HA   SER  66           HA       SER  66  -1.745  14.692  14.477
  578    HB2  SER  66           2HB      SER  66  -0.541  15.039  12.405
  579    HB3  SER  66           3HB      SER  66   0.580  15.374  13.723
  580    HG   SER  66           HG       SER  66   1.783  13.758  13.089
  581    H    GLU  67           H        GLU  67  -0.073  11.577  14.011
  582    HA   GLU  67           HA       GLU  67  -1.938  10.463  12.141
  583    HB2  GLU  67           2HB      GLU  67   0.383   9.614  12.341
  584    HB3  GLU  67           3HB      GLU  67   0.053   9.062  13.981
  585    HG2  GLU  67           2HG      GLU  67  -1.717   7.533  13.025
  586    HG3  GLU  67           3HG      GLU  67  -1.189   8.013  11.417
  587    H    LEU  68           H        LEU  68  -1.668  10.436  15.654
  588    HA   LEU  68           HA       LEU  68  -3.583   8.323  16.065
  589    HB2  LEU  68           2HB      LEU  68  -1.487   9.051  17.529
  590    HB3  LEU  68           3HB      LEU  68  -2.624  10.141  18.293
  591    HG   LEU  68           HG       LEU  68  -2.932   7.107  18.181
  592   HD11  LEU  68          1HD1      LEU  68  -2.279   7.073  20.538
  593   HD12  LEU  68          2HD1      LEU  68  -1.953   8.808  20.484
  594   HD13  LEU  68          3HD1      LEU  68  -0.990   7.694  19.510
  595   HD21  LEU  68          3HD2      LEU  68  -4.522   9.120  19.820
  596   HD22  LEU  68          1HD2      LEU  68  -4.686   7.362  19.887
  597   HD23  LEU  68          2HD2      LEU  68  -5.112   8.230  18.415
  598    H    GLY  69           H        GLY  69  -5.525   9.027  15.171
  599    HA2  GLY  69           2HA      GLY  69  -6.892  11.452  16.101
  600    HA3  GLY  69           3HA      GLY  69  -7.479  10.295  14.922
  Start of MODEL   10
    1    H1   MET   1           1H       MET   1  30.815 -18.222   6.452
    2    H2   MET   1           2H       MET   1  30.890 -16.545   6.615
    3    H3   MET   1           3H       MET   1  31.544 -17.293   5.246
    4    HA   MET   1           HA       MET   1  29.380 -18.030   4.553
    5    HB2  MET   1           2HB      MET   1  28.388 -16.492   6.994
    6    HB3  MET   1           3HB      MET   1  27.342 -17.154   5.741
    7    HG2  MET   1           2HG      MET   1  28.111 -19.429   6.319
    8    HG3  MET   1           3HG      MET   1  29.120 -18.752   7.600
    9    HE1  MET   1           3HE      MET   1  26.144 -20.507   9.553
   10    HE2  MET   1           1HE      MET   1  27.892 -20.456   9.332
   11    HE3  MET   1           2HE      MET   1  26.857 -21.063   8.039
   12    H    GLY   2           H        GLY   2  29.253 -16.857   2.712
   13    HA2  GLY   2           2HA      GLY   2  29.798 -13.979   2.668
   14    HA3  GLY   2           3HA      GLY   2  29.590 -15.041   1.285
   15    H    HIS   3           H        HIS   3  27.789 -13.509   3.922
   16    HA   HIS   3           HA       HIS   3  25.206 -13.997   2.675
   17    HB2  HIS   3           2HB      HIS   3  25.639 -14.310   5.139
   18    HB3  HIS   3           3HB      HIS   3  25.849 -12.574   5.294
   19    HD1  HIS   3           HD1      HIS   3  23.208 -15.194   4.745
   20    HD2  HIS   3           HD2      HIS   3  23.446 -11.091   5.359
   21    HE1  HIS   3           HE1      HIS   3  20.856 -14.434   5.163
   22    HE2  HIS   3           HE2      HIS   3  21.015 -11.942   5.372
   23    H    HIS   4           H        HIS   4  27.484 -11.468   2.433
   24    HA   HIS   4           HA       HIS   4  25.994  -9.121   2.714
   25    HB2  HIS   4           2HB      HIS   4  28.481  -9.736   1.121
   26    HB3  HIS   4           3HB      HIS   4  27.768  -8.131   1.046
   27    HD1  HIS   4           HD1      HIS   4  29.650 -10.394   3.351
   28    HD2  HIS   4           HD2      HIS   4  28.034  -6.579   3.385
   29    HE1  HIS   4           HE1      HIS   4  30.591  -9.290   5.383
   30    HE2  HIS   4           HE2      HIS   4  29.760  -6.926   5.263
   31    H    HIS   5           H        HIS   5  26.052 -11.267  -0.095
   32    HA   HIS   5           HA       HIS   5  24.839  -9.492  -1.941
   33    HB2  HIS   5           2HB      HIS   5  24.346 -11.422  -3.317
   34    HB3  HIS   5           3HB      HIS   5  25.944 -11.619  -2.627
   35    HD1  HIS   5           HD1      HIS   5  26.031 -13.375  -0.506
   36    HD2  HIS   5           HD2      HIS   5  22.702 -13.585  -2.977
   37    HE1  HIS   5           HE1      HIS   5  24.948 -15.576  -0.003
   38    HE2  HIS   5           HE2      HIS   5  22.860 -15.608  -1.391
   39    H    HIS   6           H        HIS   6  22.884  -8.578  -1.835
   40    HA   HIS   6           HA       HIS   6  20.506  -9.950  -0.912
   41    HB2  HIS   6           2HB      HIS   6  21.593  -9.201   1.238
   42    HB3  HIS   6           3HB      HIS   6  21.511  -7.537   0.671
   43    HD1  HIS   6           HD1      HIS   6  19.395  -6.293   1.261
   44    HD2  HIS   6           HD2      HIS   6  18.920 -10.403   1.612
   45    HE1  HIS   6           HE1      HIS   6  17.142  -6.624   2.297
   46    HE2  HIS   6           HE2      HIS   6  16.965  -9.099   2.667
   47    H    HIS   7           H        HIS   7  18.664  -9.012  -1.698
   48    HA   HIS   7           HA       HIS   7  18.936  -6.841  -3.626
   49    HB2  HIS   7           2HB      HIS   7  16.667  -8.770  -3.012
   50    HB3  HIS   7           3HB      HIS   7  16.553  -7.494  -4.221
   51    HD1  HIS   7           HD1      HIS   7  17.861 -10.918  -3.700
   52    HD2  HIS   7           HD2      HIS   7  18.238  -7.892  -6.521
   53    HE1  HIS   7           HE1      HIS   7  18.885 -11.994  -5.715
   54    HE2  HIS   7           HE2      HIS   7  19.227 -10.127  -7.344
   55    H    HIS   8           H        HIS   8  17.818  -4.900  -3.540
   56    HA   HIS   8           HA       HIS   8  16.221  -4.263  -1.123
   57    HB2  HIS   8           2HB      HIS   8  16.918  -1.809  -1.685
   58    HB3  HIS   8           3HB      HIS   8  18.093  -2.862  -0.914
   59    HD1  HIS   8           HD1      HIS   8  20.330  -3.042  -2.054
   60    HD2  HIS   8           HD2      HIS   8  17.446  -1.453  -4.571
   61    HE1  HIS   8           HE1      HIS   8  21.562  -2.277  -4.093
   62    HE2  HIS   8           HE2      HIS   8  19.769  -1.511  -5.668
   63    H    SER   9           H        SER   9  14.317  -5.036  -2.090
   64    HA   SER   9           HA       SER   9  13.493  -4.415  -4.747
   65    HB2  SER   9           2HB      SER   9  12.792  -6.495  -3.643
   66    HB3  SER   9           3HB      SER   9  11.893  -5.581  -2.432
   67    HG   SER   9           HG       SER   9  11.076  -6.403  -4.818
   68    H    HIS  10           H        HIS  10  13.131  -2.287  -5.229
   69    HA   HIS  10           HA       HIS  10  11.222  -0.716  -3.586
   70    HB2  HIS  10           2HB      HIS  10  12.994   0.273  -5.857
   71    HB3  HIS  10           3HB      HIS  10  12.062   1.264  -4.739
   72    HD1  HIS  10           HD1      HIS  10  15.395   0.300  -5.328
   73    HD2  HIS  10           HD2      HIS  10  13.102   0.657  -1.888
   74    HE1  HIS  10           HE1      HIS  10  17.024   0.530  -3.446
   75    HE2  HIS  10           HE2      HIS  10  15.621   0.886  -1.402
   76    H    MET  11           H        MET  11   9.174  -0.443  -4.338
   77    HA   MET  11           HA       MET  11   8.194  -1.339  -6.828
   78    HB2  MET  11           2HB      MET  11   7.027   0.742  -4.932
   79    HB3  MET  11           3HB      MET  11   6.149   0.006  -6.265
   80    HG2  MET  11           2HG      MET  11   5.461  -1.077  -4.245
   81    HG3  MET  11           3HG      MET  11   6.458  -2.221  -5.145
   82    HE1  MET  11           3HE      MET  11   5.696  -2.458  -1.955
   83    HE2  MET  11           1HE      MET  11   7.242  -3.015  -1.322
   84    HE3  MET  11           2HE      MET  11   6.616  -3.683  -2.831
   85    H    SER  12           H        SER  12   7.057   0.201  -8.437
   86    HA   SER  12           HA       SER  12   9.012   1.893  -9.718
   87    HB2  SER  12           2HB      SER  12   7.359   0.698 -11.095
   88    HB3  SER  12           3HB      SER  12   6.035   1.540 -10.294
   89    HG   SER  12           HG       SER  12   6.437   2.549 -12.230
   90    H    HIS  13           H        HIS  13   8.863   4.255 -10.035
   91    HA   HIS  13           HA       HIS  13   8.471   5.622  -7.631
   92    HB2  HIS  13           2HB      HIS  13  10.004   6.448  -9.383
   93    HB3  HIS  13           3HB      HIS  13   8.632   6.837 -10.418
   94    HD1  HIS  13           HD1      HIS  13   9.950   7.820  -6.971
   95    HD2  HIS  13           HD2      HIS  13   7.735   9.415 -10.096
   96    HE1  HIS  13           HE1      HIS  13   9.524  10.205  -6.344
   97    HE2  HIS  13           HE2      HIS  13   8.326  11.188  -8.319
   98    H    THR  14           H        THR  14   6.339   5.677 -10.538
   99    HA   THR  14           HA       THR  14   4.355   7.412  -9.481
  100    HB   THR  14           HB       THR  14   3.952   5.234 -11.589
  101    HG1  THR  14           HG1      THR  14   4.459   6.907 -13.080
  102   HG21  THR  14          3HG2      THR  14   2.138   6.684 -12.438
  103   HG22  THR  14          1HG2      THR  14   2.421   7.828 -11.129
  104   HG23  THR  14          2HG2      THR  14   1.816   6.207 -10.769
  105    H    GLN  15           H        GLN  15   4.739   3.892  -9.402
  106    HA   GLN  15           HA       GLN  15   2.264   3.129  -8.280
  107    HB2  GLN  15           2HB      GLN  15   3.785   1.581  -9.414
  108    HB3  GLN  15           3HB      GLN  15   5.000   1.823  -8.167
  109    HG2  GLN  15           2HG      GLN  15   3.497   0.740  -6.514
  110    HG3  GLN  15           3HG      GLN  15   2.310   0.469  -7.796
  111   HE21  GLN  15          1HE2      GLN  15   2.447  -1.775  -7.562
  112   HE22  GLN  15          2HE2      GLN  15   3.818  -2.673  -8.082
  113    H    VAL  16           H        VAL  16   5.404   3.814  -6.693
  114    HA   VAL  16           HA       VAL  16   4.655   3.490  -4.013
  115    HB   VAL  16           HB       VAL  16   6.744   5.422  -5.158
  116   HG11  VAL  16          1HG1      VAL  16   6.462   4.420  -2.291
  117   HG12  VAL  16          2HG1      VAL  16   6.162   6.067  -2.850
  118   HG13  VAL  16          3HG1      VAL  16   7.793   5.402  -2.913
  119   HG21  VAL  16          3HG2      VAL  16   7.197   3.074  -5.765
  120   HG22  VAL  16          1HG2      VAL  16   7.105   2.597  -4.068
  121   HG23  VAL  16          2HG2      VAL  16   8.400   3.663  -4.622
  122    H    ILE  17           H        ILE  17   4.493   6.352  -6.142
  123    HA   ILE  17           HA       ILE  17   3.421   8.225  -4.348
  124    HB   ILE  17           HB       ILE  17   3.136   7.968  -7.370
  125   HG12  ILE  17          2HG1      ILE  17   4.851   9.864  -5.687
  126   HG13  ILE  17          3HG1      ILE  17   5.435   8.411  -6.484
  127   HG21  ILE  17          1HG2      ILE  17   1.201   9.260  -6.598
  128   HG22  ILE  17          2HG2      ILE  17   2.331  10.310  -7.450
  129   HG23  ILE  17          3HG2      ILE  17   2.256  10.343  -5.687
  130   HD11  ILE  17          3HD1      ILE  17   6.031  10.386  -7.731
  131   HD12  ILE  17          1HD1      ILE  17   4.338  10.866  -7.848
  132   HD13  ILE  17          2HD1      ILE  17   4.901   9.403  -8.660
  133    H    GLU  18           H        GLU  18   1.740   5.781  -6.372
  134    HA   GLU  18           HA       GLU  18  -0.932   6.497  -5.731
  135    HB2  GLU  18           2HB      GLU  18   0.104   3.714  -6.427
  136    HB3  GLU  18           3HB      GLU  18  -1.567   4.258  -6.544
  137    HG2  GLU  18           2HG      GLU  18   0.758   5.257  -8.211
  138    HG3  GLU  18           3HG      GLU  18  -0.477   4.125  -8.741
  139    H    LEU  19           H        LEU  19   1.278   4.113  -4.304
  140    HA   LEU  19           HA       LEU  19  -0.287   3.165  -2.176
  141    HB2  LEU  19           2HB      LEU  19   2.721   3.479  -2.481
  142    HB3  LEU  19           3HB      LEU  19   1.987   2.630  -1.133
  143    HG   LEU  19           HG       LEU  19   1.539   1.765  -4.015
  144   HD11  LEU  19          1HD1      LEU  19   3.696   0.747  -2.141
  145   HD12  LEU  19          2HD1      LEU  19   3.947   1.690  -3.614
  146   HD13  LEU  19          3HD1      LEU  19   3.279   0.064  -3.717
  147   HD21  LEU  19          3HD2      LEU  19   0.908  -0.384  -3.017
  148   HD22  LEU  19          1HD2      LEU  19  -0.095   0.918  -2.379
  149   HD23  LEU  19          2HD2      LEU  19   1.212   0.251  -1.398
  150    H    GLU  20           H        GLU  20   1.760   6.081  -2.448
  151    HA   GLU  20           HA       GLU  20   1.587   6.893   0.295
  152    HB2  GLU  20           2HB      GLU  20   2.484   8.351  -2.212
  153    HB3  GLU  20           3HB      GLU  20   2.476   9.126  -0.630
  154    HG2  GLU  20           2HG      GLU  20   4.080   7.483   0.213
  155    HG3  GLU  20           3HG      GLU  20   4.050   6.629  -1.329
  156    H    ARG  21           H        ARG  21  -0.273   7.697  -2.634
  157    HA   ARG  21           HA       ARG  21  -1.833   9.774  -1.468
  158    HB2  ARG  21           2HB      ARG  21  -2.472   7.981  -3.849
  159    HB3  ARG  21           3HB      ARG  21  -3.437   9.377  -3.372
  160    HG2  ARG  21           2HG      ARG  21  -1.299  10.772  -3.650
  161    HG3  ARG  21           3HG      ARG  21  -0.601   9.358  -4.437
  162    HD2  ARG  21           2HD      ARG  21  -3.079  10.862  -5.343
  163    HD3  ARG  21           3HD      ARG  21  -1.478  10.984  -6.065
  164    HE   ARG  21           HE       ARG  21  -1.715   8.636  -6.756
  165   HH11  ARG  21          1HH1      ARG  21  -4.666  10.208  -5.846
  166   HH12  ARG  21          2HH1      ARG  21  -5.613   9.324  -6.986
  167   HH21  ARG  21          1HH2      ARG  21  -2.959   7.554  -8.230
  168   HH22  ARG  21          2HH2      ARG  21  -4.662   7.842  -8.316
  169    H    LYS  22           H        LYS  22  -2.165   6.280  -1.516
  170    HA   LYS  22           HA       LYS  22  -4.721   6.180  -0.174
  171    HB2  LYS  22           2HB      LYS  22  -3.844   4.356  -1.654
  172    HB3  LYS  22           3HB      LYS  22  -2.555   4.049  -0.500
  173    HG2  LYS  22           2HG      LYS  22  -4.305   2.371  -0.291
  174    HG3  LYS  22           3HG      LYS  22  -4.215   3.343   1.181
  175    HD2  LYS  22           2HD      LYS  22  -6.197   4.631   0.490
  176    HD3  LYS  22           3HD      LYS  22  -6.265   3.756  -1.043
  177    HE2  LYS  22           2HE      LYS  22  -6.836   1.696   0.081
  178    HE3  LYS  22           3HE      LYS  22  -6.515   2.404   1.663
  179    HZ1  LYS  22           3HZ      LYS  22  -8.870   2.264   1.222
  180    HZ2  LYS  22           1HZ      LYS  22  -8.701   3.211  -0.169
  181    HZ3  LYS  22           2HZ      LYS  22  -8.388   3.877   1.351
  182    H    PHE  23           H        PHE  23  -1.323   5.939   0.767
  183    HA   PHE  23           HA       PHE  23  -1.575   5.286   3.489
  184    HB2  PHE  23           2HB      PHE  23   0.488   5.028   2.095
  185    HB3  PHE  23           3HB      PHE  23   0.686   6.773   2.093
  186    HD1  PHE  23           HD2      PHE  23   0.450   3.863   4.443
  187    HD2  PHE  23           HD1      PHE  23   2.060   7.758   3.759
  188    HE1  PHE  23           HE2      PHE  23   1.791   3.656   6.478
  189    HE2  PHE  23           HE1      PHE  23   3.407   7.547   5.797
  190    HZ   PHE  23           HZ       PHE  23   3.277   5.500   7.163
  191    H    SER  24           H        SER  24  -1.333   8.465   1.898
  192    HA   SER  24           HA       SER  24  -1.006  10.060   4.203
  193    HB2  SER  24           2HB      SER  24  -1.520  11.964   2.677
  194    HB3  SER  24           3HB      SER  24  -0.356  10.842   1.976
  195    HG   SER  24           HG       SER  24  -1.668  10.643   0.372
  196    H    HIS  25           H        HIS  25  -3.898   8.720   2.740
  197    HA   HIS  25           HA       HIS  25  -5.660  10.340   4.452
  198    HB2  HIS  25           2HB      HIS  25  -6.205   8.284   2.282
  199    HB3  HIS  25           3HB      HIS  25  -7.484   8.940   3.301
  200    HD1  HIS  25           HD1      HIS  25  -8.530  11.072   2.512
  201    HD2  HIS  25           HD2      HIS  25  -4.843  10.403   0.724
  202    HE1  HIS  25           HE1      HIS  25  -8.276  12.881   0.802
  203    HE2  HIS  25           HE2      HIS  25  -6.113  12.369  -0.360
  204    H    GLN  26           H        GLN  26  -4.492   6.992   4.143
  205    HA   GLN  26           HA       GLN  26  -5.218   6.518   6.943
  206    HB2  GLN  26           2HB      GLN  26  -6.337   4.395   6.506
  207    HB3  GLN  26           3HB      GLN  26  -7.166   5.710   5.678
  208    HG2  GLN  26           2HG      GLN  26  -6.039   5.017   3.549
  209    HG3  GLN  26           3HG      GLN  26  -5.327   3.655   4.429
  210   HE21  GLN  26          1HE2      GLN  26  -6.671   1.963   5.067
  211   HE22  GLN  26          2HE2      GLN  26  -8.260   1.754   4.447
  212    H    LYS  27           H        LYS  27  -3.700   5.475   7.999
  213    HA   LYS  27           HA       LYS  27  -1.221   4.729   6.673
  214    HB2  LYS  27           2HB      LYS  27  -1.958   4.656   9.628
  215    HB3  LYS  27           3HB      LYS  27  -0.325   4.568   8.962
  216    HG2  LYS  27           2HG      LYS  27  -2.206   6.955   8.815
  217    HG3  LYS  27           3HG      LYS  27  -0.780   6.808   9.850
  218    HD2  LYS  27           2HD      LYS  27   0.714   6.912   7.977
  219    HD3  LYS  27           3HD      LYS  27  -0.586   6.652   6.812
  220    HE2  LYS  27           2HE      LYS  27   0.147   8.987   6.789
  221    HE3  LYS  27           3HE      LYS  27  -1.520   8.870   7.352
  222    HZ1  LYS  27           3HZ      LYS  27  -0.245  10.414   8.681
  223    HZ2  LYS  27           1HZ      LYS  27   0.878   9.210   9.064
  224    HZ3  LYS  27           2HZ      LYS  27  -0.712   9.093   9.624
  225    H    TYR  28           H        TYR  28  -3.973   3.115   8.019
  226    HA   TYR  28           HA       TYR  28  -2.723   0.445   7.702
  227    HB2  TYR  28           2HB      TYR  28  -5.008   1.276   9.539
  228    HB3  TYR  28           3HB      TYR  28  -4.418  -0.374   9.344
  229    HD1  TYR  28           HD2      TYR  28  -2.211  -1.031  10.274
  230    HD2  TYR  28           HD1      TYR  28  -3.745   2.916  10.863
  231    HE1  TYR  28           HE2      TYR  28  -0.566  -0.648  12.053
  232    HE2  TYR  28           HE1      TYR  28  -2.103   3.296  12.636
  233    HH   TYR  28           HH       TYR  28  -0.769   1.841  14.250
  234    H    LEU  29           H        LEU  29  -3.677  -0.951   6.320
  235    HA   LEU  29           HA       LEU  29  -6.237  -0.254   4.999
  236    HB2  LEU  29           2HB      LEU  29  -4.181  -2.362   4.227
  237    HB3  LEU  29           3HB      LEU  29  -5.578  -1.868   3.276
  238    HG   LEU  29           HG       LEU  29  -3.098  -0.214   3.871
  239   HD11  LEU  29          1HD1      LEU  29  -2.717  -0.320   1.470
  240   HD12  LEU  29          2HD1      LEU  29  -4.155  -1.321   1.263
  241   HD13  LEU  29          3HD1      LEU  29  -2.773  -1.935   2.175
  242   HD21  LEU  29          3HD2      LEU  29  -5.025   1.281   3.909
  243   HD22  LEU  29          1HD2      LEU  29  -5.598   0.633   2.369
  244   HD23  LEU  29          2HD2      LEU  29  -4.086   1.540   2.442
  245    H    SER  30           H        SER  30  -7.995  -1.626   5.060
  246    HA   SER  30           HA       SER  30  -8.006  -3.962   6.818
  247    HB2  SER  30           2HB      SER  30 -10.175  -2.813   5.007
  248    HB3  SER  30           3HB      SER  30 -10.410  -4.120   6.173
  249    HG   SER  30           HG       SER  30 -10.967  -1.922   6.877
  250    H    ALA  31           H        ALA  31  -9.053  -6.053   5.845
  251    HA   ALA  31           HA       ALA  31  -7.265  -7.163   4.001
  252    HB1  ALA  31           3HB      ALA  31  -8.630  -9.190   4.096
  253    HB2  ALA  31           1HB      ALA  31  -9.961  -8.283   4.826
  254    HB3  ALA  31           2HB      ALA  31  -8.445  -8.489   5.703
  255    HA   PRO  32           HA       PRO  32 -10.769  -6.687   0.476
  256    HB2  PRO  32           2HB      PRO  32 -12.032  -4.149   1.528
  257    HB3  PRO  32           3HB      PRO  32 -12.774  -5.497   0.638
  258    HG2  PRO  32           2HG      PRO  32 -13.214  -5.239   3.244
  259    HG3  PRO  32           3HG      PRO  32 -12.944  -6.847   2.528
  260    HD2  PRO  32           2HD      PRO  32 -11.022  -5.150   4.111
  261    HD3  PRO  32           3HD      PRO  32 -11.301  -6.904   4.172
  262    H    GLU  33           H        GLU  33  -9.687  -3.726   2.169
  263    HA   GLU  33           HA       GLU  33  -9.257  -2.102  -0.089
  264    HB2  GLU  33           2HB      GLU  33  -7.963  -1.902   2.659
  265    HB3  GLU  33           3HB      GLU  33  -8.024  -0.614   1.451
  266    HG2  GLU  33           2HG      GLU  33 -10.547  -0.716   1.601
  267    HG3  GLU  33           3HG      GLU  33 -10.357  -1.833   2.955
  268    H    ARG  34           H        ARG  34  -7.007  -4.105   1.769
  269    HA   ARG  34           HA       ARG  34  -4.622  -3.290   0.444
  270    HB2  ARG  34           2HB      ARG  34  -4.717  -4.227   2.754
  271    HB3  ARG  34           3HB      ARG  34  -5.157  -5.798   2.089
  272    HG2  ARG  34           2HG      ARG  34  -2.985  -5.936   0.941
  273    HG3  ARG  34           3HG      ARG  34  -2.556  -4.331   1.536
  274    HD2  ARG  34           2HD      ARG  34  -1.475  -6.044   2.883
  275    HD3  ARG  34           3HD      ARG  34  -2.662  -5.169   3.856
  276    HE   ARG  34           HE       ARG  34  -3.919  -7.433   2.795
  277   HH11  ARG  34          1HH1      ARG  34  -1.395  -6.759   5.058
  278   HH12  ARG  34          2HH1      ARG  34  -1.715  -8.179   5.988
  279   HH21  ARG  34          1HH2      ARG  34  -4.294  -9.246   4.002
  280   HH22  ARG  34          2HH2      ARG  34  -3.332  -9.562   5.404
  281    H    ALA  35           H        ALA  35  -6.863  -6.025   0.017
  282    HA   ALA  35           HA       ALA  35  -5.461  -7.482  -1.948
  283    HB1  ALA  35           3HB      ALA  35  -7.622  -8.545  -2.433
  284    HB2  ALA  35           1HB      ALA  35  -8.465  -7.269  -1.541
  285    HB3  ALA  35           2HB      ALA  35  -7.387  -8.378  -0.694
  286    H    HIS  36           H        HIS  36  -7.934  -4.916  -2.286
  287    HA   HIS  36           HA       HIS  36  -7.962  -4.837  -5.123
  288    HB2  HIS  36           2HB      HIS  36  -8.859  -2.884  -2.991
  289    HB3  HIS  36           3HB      HIS  36  -8.938  -2.447  -4.695
  290    HD1  HIS  36           HD1      HIS  36 -11.062  -3.050  -5.831
  291    HD2  HIS  36           HD2      HIS  36 -10.400  -5.433  -2.503
  292    HE1  HIS  36           HE1      HIS  36 -13.091  -4.500  -5.626
  293    HE2  HIS  36           HE2      HIS  36 -12.600  -6.022  -3.690
  294    H    LEU  37           H        LEU  37  -6.130  -2.854  -2.759
  295    HA   LEU  37           HA       LEU  37  -4.837  -1.165  -4.636
  296    HB2  LEU  37           2HB      LEU  37  -5.030  -0.738  -2.170
  297    HB3  LEU  37           3HB      LEU  37  -3.854  -2.009  -1.880
  298    HG   LEU  37           HG       LEU  37  -2.127  -0.683  -3.110
  299   HD11  LEU  37          1HD1      LEU  37  -2.534   1.665  -3.710
  300   HD12  LEU  37          2HD1      LEU  37  -4.242   1.483  -3.295
  301   HD13  LEU  37          3HD1      LEU  37  -3.556   0.567  -4.637
  302   HD21  LEU  37          3HD2      LEU  37  -2.281  -0.468  -0.680
  303   HD22  LEU  37          1HD2      LEU  37  -3.444   0.849  -0.844
  304   HD23  LEU  37          2HD2      LEU  37  -1.783   1.054  -1.412
  305    H    ALA  38           H        ALA  38  -4.025  -4.348  -3.361
  306    HA   ALA  38           HA       ALA  38  -1.419  -4.623  -4.425
  307    HB1  ALA  38           3HB      ALA  38  -1.687  -7.021  -4.002
  308    HB2  ALA  38           1HB      ALA  38  -3.428  -6.801  -3.769
  309    HB3  ALA  38           2HB      ALA  38  -2.285  -6.071  -2.643
  310    H    LYS  39           H        LYS  39  -4.554  -5.899  -5.724
  311    HA   LYS  39           HA       LYS  39  -3.400  -7.066  -8.043
  312    HB2  LYS  39           2HB      LYS  39  -5.734  -7.305  -8.885
  313    HB3  LYS  39           3HB      LYS  39  -5.526  -7.883  -7.238
  314    HG2  LYS  39           2HG      LYS  39  -6.582  -5.869  -6.345
  315    HG3  LYS  39           3HG      LYS  39  -6.722  -5.186  -7.964
  316    HD2  LYS  39           2HD      LYS  39  -8.080  -7.756  -7.058
  317    HD3  LYS  39           3HD      LYS  39  -8.854  -6.170  -7.068
  318    HE2  LYS  39           2HE      LYS  39  -7.736  -7.574  -9.523
  319    HE3  LYS  39           3HE      LYS  39  -9.440  -7.517  -9.070
  320    HZ1  LYS  39           3HZ      LYS  39  -9.377  -5.112  -9.288
  321    HZ2  LYS  39           1HZ      LYS  39  -8.906  -5.857 -10.728
  322    HZ3  LYS  39           2HZ      LYS  39  -7.743  -5.165  -9.719
  323    H    ASN  40           H        ASN  40  -4.929  -3.898  -7.546
  324    HA   ASN  40           HA       ASN  40  -4.954  -3.057 -10.258
  325    HB2  ASN  40           2HB      ASN  40  -5.017  -1.434  -7.687
  326    HB3  ASN  40           3HB      ASN  40  -5.305  -0.753  -9.284
  327   HD21  ASN  40          1HD2      ASN  40  -7.109  -0.906  -6.981
  328   HD22  ASN  40          2HD2      ASN  40  -8.510  -1.747  -7.528
  329    H    LEU  41           H        LEU  41  -2.481  -2.820  -7.735
  330    HA   LEU  41           HA       LEU  41  -0.614  -1.469  -9.605
  331    HB2  LEU  41           2HB      LEU  41  -0.408  -1.951  -6.612
  332    HB3  LEU  41           3HB      LEU  41   0.812  -1.137  -7.580
  333    HG   LEU  41           HG       LEU  41  -2.020  -0.133  -7.059
  334   HD11  LEU  41          1HD1      LEU  41  -0.935   1.673  -5.803
  335   HD12  LEU  41          2HD1      LEU  41   0.645   0.935  -6.078
  336   HD13  LEU  41          3HD1      LEU  41  -0.569   0.094  -5.108
  337   HD21  LEU  41          3HD2      LEU  41   0.190   1.181  -8.687
  338   HD22  LEU  41          1HD2      LEU  41  -1.357   1.916  -8.260
  339   HD23  LEU  41          2HD2      LEU  41  -1.315   0.511  -9.321
  340    H    LYS  42           H        LYS  42  -1.477  -4.510  -9.272
  341    HA   LYS  42           HA       LYS  42  -0.644  -6.549  -9.688
  342    HB2  LYS  42           2HB      LYS  42   1.624  -4.934 -10.914
  343    HB3  LYS  42           3HB      LYS  42   1.488  -6.680 -11.078
  344    HG2  LYS  42           2HG      LYS  42   0.614  -5.766 -13.080
  345    HG3  LYS  42           3HG      LYS  42  -0.772  -6.320 -12.158
  346    HD2  LYS  42           2HD      LYS  42  -1.244  -4.000 -11.457
  347    HD3  LYS  42           3HD      LYS  42   0.176  -3.433 -12.336
  348    HE2  LYS  42           2HE      LYS  42  -0.875  -4.202 -14.458
  349    HE3  LYS  42           3HE      LYS  42  -2.308  -4.689 -13.548
  350    HZ1  LYS  42           3HZ      LYS  42  -2.572  -2.377 -12.839
  351    HZ2  LYS  42           1HZ      LYS  42  -2.613  -2.526 -14.524
  352    HZ3  LYS  42           2HZ      LYS  42  -1.226  -1.935 -13.763
  353    H    LEU  43           H        LEU  43   0.310  -5.083  -7.132
  354    HA   LEU  43           HA       LEU  43   2.606  -6.702  -6.298
  355    HB2  LEU  43           2HB      LEU  43   0.837  -4.802  -4.699
  356    HB3  LEU  43           3HB      LEU  43   2.308  -5.559  -4.102
  357    HG   LEU  43           HG       LEU  43   2.160  -3.520  -6.356
  358   HD11  LEU  43          1HD1      LEU  43   3.192  -3.171  -3.527
  359   HD12  LEU  43          2HD1      LEU  43   1.695  -2.499  -4.180
  360   HD13  LEU  43          3HD1      LEU  43   3.248  -1.966  -4.818
  361   HD21  LEU  43          3HD2      LEU  43   4.010  -5.087  -6.717
  362   HD22  LEU  43          1HD2      LEU  43   4.606  -4.792  -5.080
  363   HD23  LEU  43          2HD2      LEU  43   4.616  -3.494  -6.277
  364    H    THR  44           H        THR  44   2.232  -7.739  -3.959
  365    HA   THR  44           HA       THR  44  -0.365  -9.189  -3.867
  366    HB   THR  44           HB       THR  44   0.694 -10.909  -2.499
  367    HG1  THR  44           HG1      THR  44   3.280 -10.351  -2.594
  368   HG21  THR  44          3HG2      THR  44   0.961 -11.198  -4.942
  369   HG22  THR  44          1HG2      THR  44   2.341 -11.863  -4.064
  370   HG23  THR  44          2HG2      THR  44   2.483 -10.307  -4.882
  371    H    GLU  45           H        GLU  45  -1.292  -9.478  -1.717
  372    HA   GLU  45           HA       GLU  45  -1.570  -7.168  -0.172
  373    HB2  GLU  45           2HB      GLU  45  -2.079 -10.032   0.738
  374    HB3  GLU  45           3HB      GLU  45  -2.621  -8.598   1.598
  375    HG2  GLU  45           2HG      GLU  45  -4.515  -9.392   0.443
  376    HG3  GLU  45           3HG      GLU  45  -3.966  -7.986  -0.459
  377    H    THR  46           H        THR  46   0.675  -9.864   0.269
  378    HA   THR  46           HA       THR  46   1.807  -9.162   2.744
  379    HB   THR  46           HB       THR  46   3.107 -10.612   0.387
  380    HG1  THR  46           HG1      THR  46   1.078 -11.385   1.739
  381   HG21  THR  46          3HG2      THR  46   3.924 -10.586   3.326
  382   HG22  THR  46          1HG2      THR  46   4.821  -9.822   2.005
  383   HG23  THR  46          2HG2      THR  46   4.657 -11.574   2.065
  384    H    GLN  47           H        GLN  47   2.882  -8.344  -0.591
  385    HA   GLN  47           HA       GLN  47   5.177  -6.836   0.088
  386    HB2  GLN  47           2HB      GLN  47   3.416  -6.675  -2.390
  387    HB3  GLN  47           3HB      GLN  47   5.018  -5.951  -2.255
  388    HG2  GLN  47           2HG      GLN  47   6.061  -8.123  -2.095
  389    HG3  GLN  47           3HG      GLN  47   4.493  -8.924  -1.980
  390   HE21  GLN  47          1HE2      GLN  47   5.281  -6.303  -4.230
  391   HE22  GLN  47          2HE2      GLN  47   5.149  -7.261  -5.654
  392    H    VAL  48           H        VAL  48   1.863  -5.746  -0.697
  393    HA   VAL  48           HA       VAL  48   2.187  -2.983  -0.326
  394    HB   VAL  48           HB       VAL  48  -0.317  -4.681   0.147
  395   HG11  VAL  48          1HG1      VAL  48  -0.101  -1.671  -0.284
  396   HG12  VAL  48          2HG1      VAL  48  -0.586  -2.481   1.206
  397   HG13  VAL  48          3HG1      VAL  48  -1.609  -2.590  -0.225
  398   HG21  VAL  48          3HG2      VAL  48   0.579  -4.920  -2.140
  399   HG22  VAL  48          1HG2      VAL  48   0.573  -3.166  -2.346
  400   HG23  VAL  48          2HG2      VAL  48  -0.949  -4.042  -2.159
  401    H    LYS  49           H        LYS  49   1.296  -5.526   2.033
  402    HA   LYS  49           HA       LYS  49   0.932  -3.927   4.321
  403    HB2  LYS  49           2HB      LYS  49   0.270  -6.307   4.211
  404    HB3  LYS  49           3HB      LYS  49   1.962  -6.789   4.134
  405    HG2  LYS  49           2HG      LYS  49   2.252  -5.706   6.431
  406    HG3  LYS  49           3HG      LYS  49   0.497  -5.527   6.480
  407    HD2  LYS  49           2HD      LYS  49   1.143  -7.531   7.702
  408    HD3  LYS  49           3HD      LYS  49   0.262  -7.995   6.244
  409    HE2  LYS  49           2HE      LYS  49   2.370  -8.566   5.118
  410    HE3  LYS  49           3HE      LYS  49   3.291  -8.005   6.516
  411    HZ1  LYS  49           3HZ      LYS  49   1.437 -10.316   6.437
  412    HZ2  LYS  49           1HZ      LYS  49   2.186  -9.735   7.835
  413    HZ3  LYS  49           2HZ      LYS  49   3.119 -10.368   6.581
  414    H    ILE  50           H        ILE  50   3.883  -5.455   3.016
  415    HA   ILE  50           HA       ILE  50   5.697  -4.765   5.060
  416    HB   ILE  50           HB       ILE  50   6.192  -5.302   2.094
  417   HG12  ILE  50          2HG1      ILE  50   6.602  -7.145   4.508
  418   HG13  ILE  50          3HG1      ILE  50   5.210  -7.201   3.435
  419   HG21  ILE  50          1HG2      ILE  50   8.093  -4.019   2.981
  420   HG22  ILE  50          2HG2      ILE  50   8.584  -5.684   2.677
  421   HG23  ILE  50          3HG2      ILE  50   8.262  -5.145   4.328
  422   HD11  ILE  50          3HD1      ILE  50   6.785  -8.944   2.894
  423   HD12  ILE  50          1HD1      ILE  50   8.068  -7.759   2.654
  424   HD13  ILE  50          2HD1      ILE  50   6.678  -7.793   1.565
  425    H    TRP  51           H        TRP  51   4.842  -3.097   2.005
  426    HA   TRP  51           HA       TRP  51   6.563  -0.897   2.173
  427    HB2  TRP  51           2HB      TRP  51   5.166  -1.542   0.157
  428    HB3  TRP  51           3HB      TRP  51   3.751  -0.893   0.971
  429    HD1  TRP  51           HD1      TRP  51   6.837   0.199  -0.979
  430    HE1  TRP  51           HE1      TRP  51   6.709   2.715  -1.457
  431    HE3  TRP  51           HE3      TRP  51   2.850   1.392   1.968
  432    HZ2  TRP  51           HZ2      TRP  51   5.143   4.922  -0.677
  433    HZ3  TRP  51           HZ3      TRP  51   2.098   3.724   2.062
  434    HH2  TRP  51           HH2      TRP  51   3.223   5.459   0.764
  435    H    PHE  52           H        PHE  52   3.110  -1.033   3.122
  436    HA   PHE  52           HA       PHE  52   2.906   1.414   4.425
  437    HB2  PHE  52           2HB      PHE  52   1.329  -1.152   4.564
  438    HB3  PHE  52           3HB      PHE  52   0.971   0.105   5.743
  439    HD1  PHE  52           HD1      PHE  52   1.315  -0.383   2.016
  440    HD2  PHE  52           HD2      PHE  52  -0.554   1.815   5.169
  441    HE1  PHE  52           HE1      PHE  52  -0.081   0.797   0.372
  442    HE2  PHE  52           HE2      PHE  52  -1.949   2.987   3.521
  443    HZ   PHE  52           HZ       PHE  52  -1.712   2.485   1.120
  444    H    GLN  53           H        GLN  53   4.010  -1.685   5.774
  445    HA   GLN  53           HA       GLN  53   4.127  -0.941   8.501
  446    HB2  GLN  53           2HB      GLN  53   4.196  -3.300   7.830
  447    HB3  GLN  53           3HB      GLN  53   5.725  -3.057   6.992
  448    HG2  GLN  53           2HG      GLN  53   6.833  -2.573   9.154
  449    HG3  GLN  53           3HG      GLN  53   5.297  -2.791   9.989
  450   HE21  GLN  53          1HE2      GLN  53   7.878  -4.428   8.289
  451   HE22  GLN  53          2HE2      GLN  53   7.482  -6.016   8.828
  452    H    ASN  54           H        ASN  54   6.740  -1.093   6.053
  453    HA   ASN  54           HA       ASN  54   8.798  -0.009   7.635
  454    HB2  ASN  54           2HB      ASN  54   8.446  -0.314   4.644
  455    HB3  ASN  54           3HB      ASN  54   9.834   0.566   5.268
  456   HD21  ASN  54          1HD2      ASN  54   8.407  -2.565   4.884
  457   HD22  ASN  54          2HD2      ASN  54   9.744  -3.471   5.479
  458    H    ARG  55           H        ARG  55   6.519   1.607   5.421
  459    HA   ARG  55           HA       ARG  55   7.602   4.183   5.554
  460    HB2  ARG  55           2HB      ARG  55   5.020   3.012   4.664
  461    HB3  ARG  55           3HB      ARG  55   4.901   4.692   5.158
  462    HG2  ARG  55           2HG      ARG  55   5.295   4.499   2.752
  463    HG3  ARG  55           3HG      ARG  55   6.614   5.348   3.558
  464    HD2  ARG  55           2HD      ARG  55   7.921   3.178   3.541
  465    HD3  ARG  55           3HD      ARG  55   6.628   2.473   2.556
  466    HE   ARG  55           HE       ARG  55   7.515   4.845   1.342
  467   HH11  ARG  55          1HH1      ARG  55   8.662   1.625   1.918
  468   HH12  ARG  55          2HH1      ARG  55   9.701   1.649   0.545
  469   HH21  ARG  55          1HH2      ARG  55   8.838   4.838  -0.396
  470   HH22  ARG  55          2HH2      ARG  55   9.801   3.445  -0.752
  471    H    ARG  56           H        ARG  56   5.101   2.713   7.690
  472    HA   ARG  56           HA       ARG  56   4.860   5.012   9.395
  473    HB2  ARG  56           2HB      ARG  56   4.233   2.082   9.975
  474    HB3  ARG  56           3HB      ARG  56   3.747   3.440  10.989
  475    HG2  ARG  56           2HG      ARG  56   2.327   4.305   9.175
  476    HG3  ARG  56           3HG      ARG  56   2.846   2.984   8.126
  477    HD2  ARG  56           2HD      ARG  56   1.244   2.738  10.692
  478    HD3  ARG  56           3HD      ARG  56   0.642   2.494   9.049
  479    HE   ARG  56           HE       ARG  56   2.549   0.733  10.475
  480   HH11  ARG  56          1HH1      ARG  56   0.277   1.116   7.889
  481   HH12  ARG  56          2HH1      ARG  56   0.248  -0.575   7.550
  482   HH21  ARG  56          1HH2      ARG  56   2.463  -1.410   9.994
  483   HH22  ARG  56          2HH2      ARG  56   1.452  -1.966   8.711
  484    H    TYR  57           H        TYR  57   7.097   2.336   9.195
  485    HA   TYR  57           HA       TYR  57   8.182   2.542  11.861
  486    HB2  TYR  57           2HB      TYR  57   8.112   0.435  10.423
  487    HB3  TYR  57           3HB      TYR  57   9.403   1.134   9.454
  488    HD1  TYR  57           HD1      TYR  57   8.556   0.172  12.976
  489    HD2  TYR  57           HD2      TYR  57  11.674   0.737  10.101
  490    HE1  TYR  57           HE1      TYR  57  10.176  -0.778  14.549
  491    HE2  TYR  57           HE2      TYR  57  13.297  -0.214  11.680
  492    HH   TYR  57           HH       TYR  57  12.348  -1.872  14.513
  493    H    LYS  58           H        LYS  58   8.843   4.025   8.787
  494    HA   LYS  58           HA       LYS  58  11.444   5.085   9.449
  495    HB2  LYS  58           2HB      LYS  58   9.497   5.703   7.195
  496    HB3  LYS  58           3HB      LYS  58  11.068   6.485   7.359
  497    HG2  LYS  58           2HG      LYS  58  12.196   4.304   7.135
  498    HG3  LYS  58           3HG      LYS  58  10.635   3.501   7.006
  499    HD2  LYS  58           2HD      LYS  58  11.428   3.674   4.776
  500    HD3  LYS  58           3HD      LYS  58  10.209   4.936   4.922
  501    HE2  LYS  58           2HE      LYS  58  13.214   5.376   5.111
  502    HE3  LYS  58           3HE      LYS  58  12.238   5.674   3.677
  503    HZ1  LYS  58           3HZ      LYS  58  12.614   7.724   4.795
  504    HZ2  LYS  58           1HZ      LYS  58  12.078   7.107   6.273
  505    HZ3  LYS  58           2HZ      LYS  58  10.986   7.328   5.003
  506    H    THR  59           H        THR  59   8.351   5.869  10.535
  507    HA   THR  59           HA       THR  59   9.190   8.616  11.284
  508    HB   THR  59           HB       THR  59   7.159   8.549   9.738
  509    HG1  THR  59           HG1      THR  59   7.239  10.385  10.832
  510   HG21  THR  59          3HG2      THR  59   4.959   7.981  10.709
  511   HG22  THR  59          1HG2      THR  59   5.734   7.411  12.181
  512   HG23  THR  59          2HG2      THR  59   5.992   6.551  10.660
  513    H    LYS  60           H        LYS  60   7.117   8.893  13.343
  514    HA   LYS  60           HA       LYS  60   8.613   7.844  15.496
  515    HB2  LYS  60           2HB      LYS  60   5.865   9.134  15.565
  516    HB3  LYS  60           3HB      LYS  60   6.919   8.906  16.957
  517    HG2  LYS  60           2HG      LYS  60   7.371  10.734  14.575
  518    HG3  LYS  60           3HG      LYS  60   7.067  11.208  16.247
  519    HD2  LYS  60           2HD      LYS  60   9.567   9.828  15.177
  520    HD3  LYS  60           3HD      LYS  60   9.435  11.513  15.674
  521    HE2  LYS  60           2HE      LYS  60   9.074  10.832  17.999
  522    HE3  LYS  60           3HE      LYS  60   9.079   9.130  17.533
  523    HZ1  LYS  60           3HZ      LYS  60  11.206   9.719  18.415
  524    HZ2  LYS  60           1HZ      LYS  60  11.361  11.015  17.342
  525    HZ3  LYS  60           2HZ      LYS  60  11.380   9.431  16.760
  526    H    ARG  61           H        ARG  61   6.150   6.261  13.734
  527    HA   ARG  61           HA       ARG  61   5.191   4.624  15.959
  528    HB2  ARG  61           2HB      ARG  61   4.541   4.452  12.989
  529    HB3  ARG  61           3HB      ARG  61   3.756   3.518  14.265
  530    HG2  ARG  61           2HG      ARG  61   2.988   5.680  15.290
  531    HG3  ARG  61           3HG      ARG  61   3.658   6.531  13.897
  532    HD2  ARG  61           2HD      ARG  61   2.116   5.260  12.409
  533    HD3  ARG  61           3HD      ARG  61   1.434   4.459  13.833
  534    HE   ARG  61           HE       ARG  61   1.326   7.320  14.011
  535   HH11  ARG  61          1HH1      ARG  61  -0.382   4.564  12.781
  536   HH12  ARG  61          2HH1      ARG  61  -1.867   5.430  12.645
  537   HH21  ARG  61          1HH2      ARG  61  -0.597   8.379  13.840
  538   HH22  ARG  61          2HH2      ARG  61  -1.991   7.548  13.246
  539    H    LYS  62           H        LYS  62   7.021   3.472  16.649
  540    HA   LYS  62           HA       LYS  62   8.482   1.701  14.878
  541    HB2  LYS  62           2HB      LYS  62   8.429   1.902  17.916
  542    HB3  LYS  62           3HB      LYS  62   9.466   0.790  17.022
  543    HG2  LYS  62           2HG      LYS  62  10.475   2.788  15.862
  544    HG3  LYS  62           3HG      LYS  62   9.554   3.821  16.962
  545    HD2  LYS  62           2HD      LYS  62  10.723   2.823  18.897
  546    HD3  LYS  62           3HD      LYS  62  11.600   1.732  17.819
  547    HE2  LYS  62           2HE      LYS  62  11.831   4.761  17.859
  548    HE3  LYS  62           3HE      LYS  62  13.016   3.622  18.497
  549    HZ1  LYS  62           3HZ      LYS  62  13.667   4.412  16.331
  550    HZ2  LYS  62           1HZ      LYS  62  12.215   3.884  15.647
  551    HZ3  LYS  62           2HZ      LYS  62  13.325   2.761  16.250
  552    H    GLN  63           H        GLN  63   7.378   0.058  13.990
  553    HA   GLN  63           HA       GLN  63   5.152  -1.305  15.124
  554    HB2  GLN  63           2HB      GLN  63   6.940  -1.845  12.736
  555    HB3  GLN  63           3HB      GLN  63   5.756  -3.049  13.221
  556    HG2  GLN  63           2HG      GLN  63   4.949  -1.585  11.393
  557    HG3  GLN  63           3HG      GLN  63   3.931  -1.523  12.829
  558   HE21  GLN  63          1HE2      GLN  63   6.269   0.229  10.938
  559   HE22  GLN  63          2HE2      GLN  63   5.918   1.778  11.609
  560    H    LEU  64           H        LEU  64   4.985  -3.216  16.221
  561    HA   LEU  64           HA       LEU  64   7.207  -4.408  17.543
  562    HB2  LEU  64           2HB      LEU  64   4.857  -4.474  18.390
  563    HB3  LEU  64           3HB      LEU  64   4.419  -5.538  17.064
  564    HG   LEU  64           HG       LEU  64   5.995  -7.273  17.972
  565   HD11  LEU  64          1HD1      LEU  64   7.559  -5.809  19.152
  566   HD12  LEU  64          2HD1      LEU  64   6.926  -7.049  20.231
  567   HD13  LEU  64          3HD1      LEU  64   6.315  -5.394  20.332
  568   HD21  LEU  64          3HD2      LEU  64   3.603  -7.373  18.530
  569   HD22  LEU  64          1HD2      LEU  64   3.875  -6.362  19.951
  570   HD23  LEU  64          2HD2      LEU  64   4.588  -7.976  19.861
  571    H    SER  65           H        SER  65   5.059  -5.651  14.963
  572    HA   SER  65           HA       SER  65   5.323  -6.891  13.107
  573    HB2  SER  65           2HB      SER  65   7.184  -5.411  12.489
  574    HB3  SER  65           3HB      SER  65   8.306  -6.373  13.448
  575    HG   SER  65           HG       SER  65   8.545  -7.099  11.410
  576    H    SER  66           H        SER  66   5.731  -9.026  12.360
  577    HA   SER  66           HA       SER  66   5.911 -11.052  14.373
  578    HB2  SER  66           2HB      SER  66   6.014 -11.326  11.339
  579    HB3  SER  66           3HB      SER  66   5.776 -12.655  12.478
  580    HG   SER  66           HG       SER  66   3.808 -11.864  13.003
  581    H    GLU  67           H        GLU  67   8.232  -9.595  12.214
  582    HA   GLU  67           HA       GLU  67  10.324 -11.542  12.420
  583    HB2  GLU  67           2HB      GLU  67  10.145  -9.908  10.561
  584    HB3  GLU  67           3HB      GLU  67  10.429  -8.584  11.688
  585    HG2  GLU  67           2HG      GLU  67  12.700  -9.415  12.122
  586    HG3  GLU  67           3HG      GLU  67  12.418 -10.787  11.050
  587    H    LEU  68           H        LEU  68  11.427 -11.985  14.271
  588    HA   LEU  68           HA       LEU  68  12.380  -9.832  16.019
  589    HB2  LEU  68           2HB      LEU  68  11.660 -11.304  18.061
  590    HB3  LEU  68           3HB      LEU  68  10.486 -10.267  17.285
  591    HG   LEU  68           HG       LEU  68   9.502 -12.241  16.111
  592   HD11  LEU  68          1HD1      LEU  68  11.430 -13.727  15.984
  593   HD12  LEU  68          2HD1      LEU  68  10.087 -14.542  16.785
  594   HD13  LEU  68          3HD1      LEU  68  11.440 -13.917  17.736
  595   HD21  LEU  68          3HD2      LEU  68   8.393 -13.216  18.078
  596   HD22  LEU  68          1HD2      LEU  68   8.553 -11.465  18.237
  597   HD23  LEU  68          2HD2      LEU  68   9.636 -12.535  19.131
  598    H    GLY  69           H        GLY  69  13.891 -10.671  17.740
  599    HA2  GLY  69           2HA      GLY  69  15.691 -11.892  18.478
  600    HA3  GLY  69           3HA      GLY  69  15.231 -13.191  17.390
  Start of MODEL   11
    1    H1   MET   1           1H       MET   1  26.314 -22.259   9.260
    2    H2   MET   1           2H       MET   1  25.631 -20.749   9.614
    3    H3   MET   1           3H       MET   1  27.270 -21.029   9.919
    4    HA   MET   1           HA       MET   1  26.966 -19.685   7.953
    5    HB2  MET   1           2HB      MET   1  28.411 -21.008   6.441
    6    HB3  MET   1           3HB      MET   1  28.939 -21.137   8.109
    7    HG2  MET   1           2HG      MET   1  27.965 -23.383   8.277
    8    HG3  MET   1           3HG      MET   1  27.336 -23.251   6.635
    9    HE1  MET   1           3HE      MET   1  31.871 -23.398   7.573
   10    HE2  MET   1           1HE      MET   1  30.639 -23.505   8.832
   11    HE3  MET   1           2HE      MET   1  30.862 -21.999   7.939
   12    H    GLY   2           H        GLY   2  26.759 -20.238   5.395
   13    HA2  GLY   2           2HA      GLY   2  25.316 -21.341   3.748
   14    HA3  GLY   2           3HA      GLY   2  24.022 -21.328   4.936
   15    H    HIS   3           H        HIS   3  25.259 -19.738   2.261
   16    HA   HIS   3           HA       HIS   3  24.582 -17.014   2.912
   17    HB2  HIS   3           2HB      HIS   3  26.350 -17.562   1.270
   18    HB3  HIS   3           3HB      HIS   3  25.157 -18.325   0.225
   19    HD1  HIS   3           HD1      HIS   3  24.230 -16.848  -1.564
   20    HD2  HIS   3           HD2      HIS   3  25.785 -14.633   1.592
   21    HE1  HIS   3           HE1      HIS   3  24.053 -14.451  -2.269
   22    HE2  HIS   3           HE2      HIS   3  25.149 -13.152  -0.424
   23    H    HIS   4           H        HIS   4  22.462 -16.762   3.462
   24    HA   HIS   4           HA       HIS   4  20.271 -18.082   2.166
   25    HB2  HIS   4           2HB      HIS   4  20.343 -15.860   4.244
   26    HB3  HIS   4           3HB      HIS   4  18.852 -16.605   3.664
   27    HD1  HIS   4           HD1      HIS   4  21.916 -17.376   5.727
   28    HD2  HIS   4           HD2      HIS   4  18.278 -19.123   4.749
   29    HE1  HIS   4           HE1      HIS   4  21.669 -19.334   7.269
   30    HE2  HIS   4           HE2      HIS   4  19.551 -20.459   6.546
   31    H    HIS   5           H        HIS   5  19.259 -17.488   0.356
   32    HA   HIS   5           HA       HIS   5  19.490 -14.816  -0.808
   33    HB2  HIS   5           2HB      HIS   5  18.025 -17.319  -1.731
   34    HB3  HIS   5           3HB      HIS   5  18.020 -15.805  -2.630
   35    HD1  HIS   5           HD1      HIS   5  19.709 -18.932  -2.597
   36    HD2  HIS   5           HD2      HIS   5  20.913 -15.008  -3.214
   37    HE1  HIS   5           HE1      HIS   5  21.842 -19.074  -3.894
   38    HE2  HIS   5           HE2      HIS   5  22.618 -16.705  -4.148
   39    H    HIS   6           H        HIS   6  17.961 -13.247  -0.731
   40    HA   HIS   6           HA       HIS   6  15.175 -13.675  -0.188
   41    HB2  HIS   6           2HB      HIS   6  15.146 -12.202   1.910
   42    HB3  HIS   6           3HB      HIS   6  15.760 -13.831   2.123
   43    HD1  HIS   6           HD1      HIS   6  16.836 -10.261   2.226
   44    HD2  HIS   6           HD2      HIS   6  18.493 -14.010   2.825
   45    HE1  HIS   6           HE1      HIS   6  19.008  -9.847   3.382
   46    HE2  HIS   6           HE2      HIS   6  20.071 -12.107   3.567
   47    H    HIS   7           H        HIS   7  14.396 -12.404  -1.746
   48    HA   HIS   7           HA       HIS   7  15.859 -10.147  -2.802
   49    HB2  HIS   7           2HB      HIS   7  14.680 -11.819  -4.236
   50    HB3  HIS   7           3HB      HIS   7  13.137 -11.261  -3.603
   51    HD1  HIS   7           HD1      HIS   7  15.834 -10.376  -6.029
   52    HD2  HIS   7           HD2      HIS   7  12.267  -8.741  -4.660
   53    HE1  HIS   7           HE1      HIS   7  15.289  -8.514  -7.614
   54    HE2  HIS   7           HE2      HIS   7  13.054  -7.668  -6.866
   55    H    HIS   8           H        HIS   8  15.544  -8.041  -2.376
   56    HA   HIS   8           HA       HIS   8  13.242  -7.069  -0.839
   57    HB2  HIS   8           2HB      HIS   8  15.763  -5.668  -1.843
   58    HB3  HIS   8           3HB      HIS   8  14.487  -4.855  -0.938
   59    HD1  HIS   8           HD1      HIS   8  17.413  -7.103  -0.515
   60    HD2  HIS   8           HD2      HIS   8  14.294  -5.634   1.805
   61    HE1  HIS   8           HE1      HIS   8  18.042  -7.603   1.854
   62    HE2  HIS   8           HE2      HIS   8  16.169  -6.665   3.242
   63    H    SER   9           H        SER   9  11.431  -6.416  -1.873
   64    HA   SER   9           HA       SER   9  11.283  -6.221  -4.742
   65    HB2  SER   9           2HB      SER   9   9.403  -7.149  -3.449
   66    HB3  SER   9           3HB      SER   9   9.167  -5.600  -2.640
   67    HG   SER   9           HG       SER   9   7.793  -6.097  -4.537
   68    H    HIS  10           H        HIS  10  12.585  -4.501  -5.377
   69    HA   HIS  10           HA       HIS  10  12.125  -1.784  -4.481
   70    HB2  HIS  10           2HB      HIS  10  13.774  -2.852  -6.811
   71    HB3  HIS  10           3HB      HIS  10  13.725  -1.163  -6.312
   72    HD1  HIS  10           HD1      HIS  10  15.660  -4.140  -5.834
   73    HD2  HIS  10           HD2      HIS  10  14.634  -0.908  -3.438
   74    HE1  HIS  10           HE1      HIS  10  17.309  -4.147  -3.948
   75    HE2  HIS  10           HE2      HIS  10  16.801  -2.064  -2.644
   76    H    MET  11           H        MET  11   9.948  -1.492  -4.825
   77    HA   MET  11           HA       MET  11   8.565  -1.939  -7.277
   78    HB2  MET  11           2HB      MET  11   7.869  -0.350  -4.777
   79    HB3  MET  11           3HB      MET  11   6.742  -0.597  -6.107
   80    HG2  MET  11           2HG      MET  11   6.774  -2.989  -5.769
   81    HG3  MET  11           3HG      MET  11   8.018  -2.844  -4.524
   82    HE1  MET  11           3HE      MET  11   7.584  -1.786  -2.130
   83    HE2  MET  11           1HE      MET  11   6.035  -1.118  -1.616
   84    HE3  MET  11           2HE      MET  11   6.985  -0.288  -2.846
   85    H    SER  12           H        SER  12   7.283  -0.110  -8.341
   86    HA   SER  12           HA       SER  12   9.236   1.623  -9.602
   87    HB2  SER  12           2HB      SER  12   6.240   1.360 -10.102
   88    HB3  SER  12           3HB      SER  12   7.385   2.204 -11.147
   89    HG   SER  12           HG       SER  12   8.482  -0.035 -11.033
   90    H    HIS  13           H        HIS  13   9.148   3.938  -9.724
   91    HA   HIS  13           HA       HIS  13   8.638   5.265  -7.294
   92    HB2  HIS  13           2HB      HIS  13  10.333   6.060  -8.903
   93    HB3  HIS  13           3HB      HIS  13   9.074   6.480 -10.057
   94    HD1  HIS  13           HD1      HIS  13  10.279   7.504  -6.595
   95    HD2  HIS  13           HD2      HIS  13   8.116   9.048  -9.787
   96    HE1  HIS  13           HE1      HIS  13   9.850   9.903  -6.024
   97    HE2  HIS  13           HE2      HIS  13   8.395  10.761  -7.879
   98    H    THR  14           H        THR  14   6.778   5.293 -10.357
   99    HA   THR  14           HA       THR  14   4.736   7.093  -9.569
  100    HB   THR  14           HB       THR  14   4.575   4.876 -11.664
  101    HG1  THR  14           HG1      THR  14   5.099   6.789 -13.046
  102   HG21  THR  14          3HG2      THR  14   2.350   5.853 -11.121
  103   HG22  THR  14          1HG2      THR  14   2.874   6.308 -12.750
  104   HG23  THR  14          2HG2      THR  14   2.992   7.466 -11.426
  105    H    GLN  15           H        GLN  15   5.111   3.615  -9.258
  106    HA   GLN  15           HA       GLN  15   2.498   2.954  -8.361
  107    HB2  GLN  15           2HB      GLN  15   3.991   1.292  -9.315
  108    HB3  GLN  15           3HB      GLN  15   5.184   1.556  -8.044
  109    HG2  GLN  15           2HG      GLN  15   3.696   0.582  -6.382
  110    HG3  GLN  15           3HG      GLN  15   2.410   0.417  -7.587
  111   HE21  GLN  15          1HE2      GLN  15   2.581  -1.215  -9.129
  112   HE22  GLN  15          2HE2      GLN  15   3.722  -2.495  -8.993
  113    H    VAL  16           H        VAL  16   5.528   3.727  -6.587
  114    HA   VAL  16           HA       VAL  16   4.495   3.478  -3.963
  115    HB   VAL  16           HB       VAL  16   6.824   5.206  -4.935
  116   HG11  VAL  16          1HG1      VAL  16   6.038   6.021  -2.744
  117   HG12  VAL  16          2HG1      VAL  16   7.605   5.233  -2.577
  118   HG13  VAL  16          3HG1      VAL  16   6.137   4.390  -2.074
  119   HG21  VAL  16          3HG2      VAL  16   7.157   2.798  -5.385
  120   HG22  VAL  16          1HG2      VAL  16   6.831   2.414  -3.692
  121   HG23  VAL  16          2HG2      VAL  16   8.265   3.347  -4.129
  122    H    ILE  17           H        ILE  17   4.475   6.209  -6.252
  123    HA   ILE  17           HA       ILE  17   3.374   8.223  -4.640
  124    HB   ILE  17           HB       ILE  17   2.819   7.674  -7.597
  125   HG12  ILE  17          2HG1      ILE  17   4.831   9.597  -6.325
  126   HG13  ILE  17          3HG1      ILE  17   5.235   8.052  -7.058
  127   HG21  ILE  17          1HG2      ILE  17   1.080   9.151  -6.663
  128   HG22  ILE  17          2HG2      ILE  17   2.113  10.039  -7.779
  129   HG23  ILE  17          3HG2      ILE  17   2.319  10.242  -6.037
  130   HD11  ILE  17          3HD1      ILE  17   5.762   9.858  -8.555
  131   HD12  ILE  17          1HD1      ILE  17   4.106  10.459  -8.481
  132   HD13  ILE  17          2HD1      ILE  17   4.447   8.898  -9.232
  133    H    GLU  18           H        GLU  18   1.742   5.658  -6.526
  134    HA   GLU  18           HA       GLU  18  -0.936   6.282  -5.869
  135    HB2  GLU  18           2HB      GLU  18   0.267   3.590  -6.626
  136    HB3  GLU  18           3HB      GLU  18  -1.448   3.984  -6.673
  137    HG2  GLU  18           2HG      GLU  18   0.710   5.277  -8.371
  138    HG3  GLU  18           3HG      GLU  18  -0.399   4.019  -8.910
  139    H    LEU  19           H        LEU  19   1.362   4.023  -4.367
  140    HA   LEU  19           HA       LEU  19  -0.193   3.017  -2.266
  141    HB2  LEU  19           2HB      LEU  19   2.789   3.556  -2.513
  142    HB3  LEU  19           3HB      LEU  19   2.101   2.739  -1.124
  143    HG   LEU  19           HG       LEU  19   1.793   1.660  -3.954
  144   HD11  LEU  19          1HD1      LEU  19   3.629   0.096  -3.481
  145   HD12  LEU  19          2HD1      LEU  19   3.948   0.915  -1.950
  146   HD13  LEU  19          3HD1      LEU  19   4.188   1.767  -3.476
  147   HD21  LEU  19          3HD2      LEU  19   1.467   0.318  -1.245
  148   HD22  LEU  19          1HD2      LEU  19   1.284  -0.464  -2.819
  149   HD23  LEU  19          2HD2      LEU  19   0.165   0.803  -2.332
  150    H    GLU  20           H        GLU  20   1.711   6.044  -2.474
  151    HA   GLU  20           HA       GLU  20   1.266   6.879   0.241
  152    HB2  GLU  20           2HB      GLU  20   2.382   8.356  -2.171
  153    HB3  GLU  20           3HB      GLU  20   2.237   9.103  -0.579
  154    HG2  GLU  20           2HG      GLU  20   3.712   7.345   0.362
  155    HG3  GLU  20           3HG      GLU  20   3.884   6.639  -1.241
  156    H    ARG  21           H        ARG  21  -0.447   7.445  -2.796
  157    HA   ARG  21           HA       ARG  21  -2.205   9.496  -2.001
  158    HB2  ARG  21           2HB      ARG  21  -2.714   7.153  -3.884
  159    HB3  ARG  21           3HB      ARG  21  -3.792   8.540  -3.719
  160    HG2  ARG  21           2HG      ARG  21  -2.051  10.039  -4.550
  161    HG3  ARG  21           3HG      ARG  21  -0.901   8.706  -4.620
  162    HD2  ARG  21           2HD      ARG  21  -1.746   9.178  -6.847
  163    HD3  ARG  21           3HD      ARG  21  -2.311   7.591  -6.319
  164    HE   ARG  21           HE       ARG  21  -4.219   9.628  -5.734
  165   HH11  ARG  21          1HH1      ARG  21  -3.063   7.670  -8.365
  166   HH12  ARG  21          2HH1      ARG  21  -4.547   7.823  -9.239
  167   HH21  ARG  21          1HH2      ARG  21  -6.058   9.810  -6.867
  168   HH22  ARG  21          2HH2      ARG  21  -6.235   9.021  -8.398
  169    H    LYS  22           H        LYS  22  -2.273   6.030  -1.415
  170    HA   LYS  22           HA       LYS  22  -4.842   6.037  -0.059
  171    HB2  LYS  22           2HB      LYS  22  -3.791   4.131  -1.488
  172    HB3  LYS  22           3HB      LYS  22  -2.798   3.778  -0.080
  173    HG2  LYS  22           2HG      LYS  22  -4.678   2.275  -0.091
  174    HG3  LYS  22           3HG      LYS  22  -4.892   3.413   1.245
  175    HD2  LYS  22           2HD      LYS  22  -6.510   4.709  -0.078
  176    HD3  LYS  22           3HD      LYS  22  -6.240   3.667  -1.478
  177    HE2  LYS  22           2HE      LYS  22  -8.319   3.027  -0.409
  178    HE3  LYS  22           3HE      LYS  22  -7.139   1.741  -0.164
  179    HZ1  LYS  22           3HZ      LYS  22  -6.735   2.682   2.067
  180    HZ2  LYS  22           1HZ      LYS  22  -8.317   2.132   1.853
  181    HZ3  LYS  22           2HZ      LYS  22  -7.987   3.783   1.808
  182    H    PHE  23           H        PHE  23  -1.416   5.944   0.806
  183    HA   PHE  23           HA       PHE  23  -1.621   5.394   3.574
  184    HB2  PHE  23           2HB      PHE  23   0.431   5.083   2.184
  185    HB3  PHE  23           3HB      PHE  23   0.610   6.828   2.077
  186    HD1  PHE  23           HD2      PHE  23   0.446   4.039   4.592
  187    HD2  PHE  23           HD1      PHE  23   1.951   7.938   3.698
  188    HE1  PHE  23           HE2      PHE  23   1.810   3.977   6.631
  189    HE2  PHE  23           HE1      PHE  23   3.317   7.871   5.736
  190    HZ   PHE  23           HZ       PHE  23   3.252   5.892   7.207
  191    H    SER  24           H        SER  24  -1.512   8.477   1.799
  192    HA   SER  24           HA       SER  24  -1.348  10.247   3.978
  193    HB2  SER  24           2HB      SER  24  -2.160  11.970   2.369
  194    HB3  SER  24           3HB      SER  24  -0.895  10.959   1.675
  195    HG   SER  24           HG       SER  24  -2.238  10.349   0.196
  196    H    HIS  25           H        HIS  25  -4.126   8.577   2.568
  197    HA   HIS  25           HA       HIS  25  -6.079  10.096   4.107
  198    HB2  HIS  25           2HB      HIS  25  -6.316   7.666   2.294
  199    HB3  HIS  25           3HB      HIS  25  -7.689   8.392   3.124
  200    HD1  HIS  25           HD1      HIS  25  -8.924   9.183   1.066
  201    HD2  HIS  25           HD2      HIS  25  -5.005  10.542   1.152
  202    HE1  HIS  25           HE1      HIS  25  -8.752  10.851  -0.787
  203    HE2  HIS  25           HE2      HIS  25  -6.401  11.713  -0.672
  204    H    GLN  26           H        GLN  26  -4.468   6.944   4.261
  205    HA   GLN  26           HA       GLN  26  -5.031   6.719   7.102
  206    HB2  GLN  26           2HB      GLN  26  -6.047   4.476   6.989
  207    HB3  GLN  26           3HB      GLN  26  -7.039   5.666   6.151
  208    HG2  GLN  26           2HG      GLN  26  -6.019   4.859   3.979
  209    HG3  GLN  26           3HG      GLN  26  -5.249   3.565   4.901
  210   HE21  GLN  26          1HE2      GLN  26  -6.576   1.931   5.787
  211   HE22  GLN  26          2HE2      GLN  26  -8.188   1.670   5.235
  212    H    LYS  27           H        LYS  27  -3.405   5.731   8.146
  213    HA   LYS  27           HA       LYS  27  -0.947   5.226   6.718
  214    HB2  LYS  27           2HB      LYS  27  -1.602   5.054   9.688
  215    HB3  LYS  27           3HB      LYS  27   0.025   5.041   9.007
  216    HG2  LYS  27           2HG      LYS  27  -1.966   7.338   8.854
  217    HG3  LYS  27           3HG      LYS  27  -0.536   7.266   9.888
  218    HD2  LYS  27           2HD      LYS  27   0.942   7.343   7.960
  219    HD3  LYS  27           3HD      LYS  27  -0.411   7.172   6.842
  220    HE2  LYS  27           2HE      LYS  27   0.387   9.483   6.884
  221    HE3  LYS  27           3HE      LYS  27  -1.252   9.392   7.525
  222    HZ1  LYS  27           3HZ      LYS  27  -0.368   9.534   9.749
  223    HZ2  LYS  27           1HZ      LYS  27   0.182  10.839   8.824
  224    HZ3  LYS  27           2HZ      LYS  27   1.217   9.547   9.158
  225    H    TYR  28           H        TYR  28  -3.490   3.253   7.891
  226    HA   TYR  28           HA       TYR  28  -2.067   0.805   7.111
  227    HB2  TYR  28           2HB      TYR  28  -3.269  -0.313   9.206
  228    HB3  TYR  28           3HB      TYR  28  -1.720   0.491   9.395
  229    HD1  TYR  28           HD1      TYR  28  -5.376   0.819  10.078
  230    HD2  TYR  28           HD2      TYR  28  -1.499   2.501  10.731
  231    HE1  TYR  28           HE1      TYR  28  -6.295   2.270  11.833
  232    HE2  TYR  28           HE2      TYR  28  -2.412   3.948  12.479
  233    HH   TYR  28           HH       TYR  28  -4.597   4.896  13.136
  234    H    LEU  29           H        LEU  29  -3.321  -0.667   6.073
  235    HA   LEU  29           HA       LEU  29  -6.060   0.109   5.331
  236    HB2  LEU  29           2HB      LEU  29  -4.238  -2.030   4.145
  237    HB3  LEU  29           3HB      LEU  29  -5.794  -1.538   3.495
  238    HG   LEU  29           HG       LEU  29  -3.238   0.104   3.560
  239   HD11  LEU  29          1HD1      LEU  29  -3.417   0.061   1.114
  240   HD12  LEU  29          2HD1      LEU  29  -4.857  -0.954   1.227
  241   HD13  LEU  29          3HD1      LEU  29  -3.297  -1.566   1.781
  242   HD21  LEU  29          3HD2      LEU  29  -5.994   0.990   2.658
  243   HD22  LEU  29          1HD2      LEU  29  -4.493   1.885   2.415
  244   HD23  LEU  29          2HD2      LEU  29  -5.091   1.606   4.046
  245    H    SER  30           H        SER  30  -7.718  -1.545   5.102
  246    HA   SER  30           HA       SER  30  -7.661  -3.776   7.015
  247    HB2  SER  30           2HB      SER  30  -9.831  -2.922   5.039
  248    HB3  SER  30           3HB      SER  30 -10.006  -4.143   6.303
  249    HG   SER  30           HG       SER  30  -9.861  -1.347   6.515
  250    H    ALA  31           H        ALA  31  -8.225  -6.007   6.157
  251    HA   ALA  31           HA       ALA  31  -6.458  -6.912   4.203
  252    HB1  ALA  31           3HB      ALA  31  -7.404  -8.371   5.942
  253    HB2  ALA  31           1HB      ALA  31  -7.584  -9.079   4.342
  254    HB3  ALA  31           2HB      ALA  31  -8.973  -8.332   5.137
  255    HA   PRO  32           HA       PRO  32 -10.184  -6.866   0.870
  256    HB2  PRO  32           2HB      PRO  32 -11.668  -4.484   1.992
  257    HB3  PRO  32           3HB      PRO  32 -12.295  -5.913   1.142
  258    HG2  PRO  32           2HG      PRO  32 -12.615  -5.703   3.766
  259    HG3  PRO  32           3HG      PRO  32 -12.190  -7.270   3.032
  260    HD2  PRO  32           2HD      PRO  32 -10.407  -5.342   4.504
  261    HD3  PRO  32           3HD      PRO  32 -10.466  -7.116   4.579
  262    H    GLU  33           H        GLU  33  -9.199  -3.799   2.463
  263    HA   GLU  33           HA       GLU  33  -8.944  -2.229   0.084
  264    HB2  GLU  33           2HB      GLU  33  -7.633  -1.757   2.795
  265    HB3  GLU  33           3HB      GLU  33  -7.846  -0.559   1.516
  266    HG2  GLU  33           2HG      GLU  33 -10.310  -0.763   1.780
  267    HG3  GLU  33           3HG      GLU  33 -10.051  -1.890   3.117
  268    H    ARG  34           H        ARG  34  -6.712  -4.172   1.950
  269    HA   ARG  34           HA       ARG  34  -4.242  -3.363   0.826
  270    HB2  ARG  34           2HB      ARG  34  -4.490  -4.521   2.995
  271    HB3  ARG  34           3HB      ARG  34  -5.078  -5.963   2.180
  272    HG2  ARG  34           2HG      ARG  34  -2.840  -6.200   1.083
  273    HG3  ARG  34           3HG      ARG  34  -2.276  -4.797   1.998
  274    HD2  ARG  34           2HD      ARG  34  -1.585  -6.896   3.084
  275    HD3  ARG  34           3HD      ARG  34  -2.705  -5.995   4.114
  276    HE   ARG  34           HE       ARG  34  -3.853  -8.061   2.386
  277   HH11  ARG  34          1HH1      ARG  34  -2.816  -7.270   5.611
  278   HH12  ARG  34          2HH1      ARG  34  -3.743  -8.549   6.314
  279   HH21  ARG  34          1HH2      ARG  34  -5.013  -9.650   3.324
  280   HH22  ARG  34          2HH2      ARG  34  -4.968  -9.872   5.042
  281    H    ALA  35           H        ALA  35  -6.456  -6.057   0.096
  282    HA   ALA  35           HA       ALA  35  -5.062  -7.077  -2.189
  283    HB1  ALA  35           3HB      ALA  35  -6.626  -8.445  -0.863
  284    HB2  ALA  35           1HB      ALA  35  -7.101  -8.403  -2.561
  285    HB3  ALA  35           2HB      ALA  35  -7.969  -7.423  -1.375
  286    H    HIS  36           H        HIS  36  -7.626  -4.692  -1.722
  287    HA   HIS  36           HA       HIS  36  -8.467  -4.278  -4.382
  288    HB2  HIS  36           2HB      HIS  36  -9.710  -3.464  -2.382
  289    HB3  HIS  36           3HB      HIS  36  -8.422  -2.322  -2.035
  290    HD1  HIS  36           HD1      HIS  36  -8.160  -0.324  -3.845
  291    HD2  HIS  36           HD2      HIS  36 -11.688  -2.494  -4.022
  292    HE1  HIS  36           HE1      HIS  36  -9.740   1.076  -5.188
  293    HE2  HIS  36           HE2      HIS  36 -11.893  -0.222  -5.222
  294    H    LEU  37           H        LEU  37  -5.851  -2.812  -2.482
  295    HA   LEU  37           HA       LEU  37  -5.020  -0.977  -4.564
  296    HB2  LEU  37           2HB      LEU  37  -4.822  -0.485  -2.122
  297    HB3  LEU  37           3HB      LEU  37  -3.629  -1.765  -1.975
  298    HG   LEU  37           HG       LEU  37  -2.044  -0.503  -3.382
  299   HD11  LEU  37          1HD1      LEU  37  -4.188   1.639  -3.600
  300   HD12  LEU  37          2HD1      LEU  37  -3.590   0.614  -4.907
  301   HD13  LEU  37          3HD1      LEU  37  -2.517   1.790  -4.157
  302   HD21  LEU  37          3HD2      LEU  37  -2.024  -0.063  -0.965
  303   HD22  LEU  37          1HD2      LEU  37  -3.195   1.243  -1.174
  304   HD23  LEU  37          2HD2      LEU  37  -1.578   1.377  -1.874
  305    H    ALA  38           H        ALA  38  -3.945  -4.101  -3.278
  306    HA   ALA  38           HA       ALA  38  -1.529  -4.451  -4.619
  307    HB1  ALA  38           3HB      ALA  38  -1.836  -6.861  -4.236
  308    HB2  ALA  38           1HB      ALA  38  -3.549  -6.597  -3.882
  309    HB3  ALA  38           2HB      ALA  38  -2.312  -5.929  -2.816
  310    H    LYS  39           H        LYS  39  -4.806  -5.475  -5.727
  311    HA   LYS  39           HA       LYS  39  -3.998  -6.614  -8.165
  312    HB2  LYS  39           2HB      LYS  39  -6.355  -6.531  -8.843
  313    HB3  LYS  39           3HB      LYS  39  -6.190  -7.081  -7.183
  314    HG2  LYS  39           2HG      LYS  39  -6.875  -4.851  -6.362
  315    HG3  LYS  39           3HG      LYS  39  -7.038  -4.289  -8.027
  316    HD2  LYS  39           2HD      LYS  39  -8.662  -6.533  -6.755
  317    HD3  LYS  39           3HD      LYS  39  -9.231  -4.883  -7.017
  318    HE2  LYS  39           2HE      LYS  39  -8.974  -5.191  -9.464
  319    HE3  LYS  39           3HE      LYS  39  -8.413  -6.841  -9.196
  320    HZ1  LYS  39           3HZ      LYS  39 -10.564  -7.372  -8.227
  321    HZ2  LYS  39           1HZ      LYS  39 -10.736  -6.792  -9.808
  322    HZ3  LYS  39           2HZ      LYS  39 -11.099  -5.793  -8.495
  323    H    ASN  40           H        ASN  40  -5.012  -3.263  -7.470
  324    HA   ASN  40           HA       ASN  40  -5.042  -2.217 -10.070
  325    HB2  ASN  40           2HB      ASN  40  -4.222  -0.762  -7.517
  326    HB3  ASN  40           3HB      ASN  40  -4.695   0.013  -9.029
  327   HD21  ASN  40          1HD2      ASN  40  -5.909   0.332  -6.439
  328   HD22  ASN  40          2HD2      ASN  40  -7.548  -0.175  -6.595
  329    H    LEU  41           H        LEU  41  -2.358  -2.531  -7.789
  330    HA   LEU  41           HA       LEU  41  -0.433  -1.330  -9.684
  331    HB2  LEU  41           2HB      LEU  41  -0.130  -2.062  -6.746
  332    HB3  LEU  41           3HB      LEU  41   1.052  -1.190  -7.715
  333    HG   LEU  41           HG       LEU  41  -1.718  -0.183  -6.943
  334   HD11  LEU  41          1HD1      LEU  41   1.011   0.759  -6.024
  335   HD12  LEU  41          2HD1      LEU  41  -0.169  -0.133  -5.061
  336   HD13  LEU  41          3HD1      LEU  41  -0.538   1.499  -5.609
  337   HD21  LEU  41          3HD2      LEU  41  -1.095   1.941  -8.013
  338   HD22  LEU  41          1HD2      LEU  41  -1.129   0.623  -9.183
  339   HD23  LEU  41          2HD2      LEU  41   0.416   1.228  -8.581
  340    H    LYS  42           H        LYS  42  -1.580  -4.332  -9.401
  341    HA   LYS  42           HA       LYS  42  -0.925  -6.456  -9.740
  342    HB2  LYS  42           2HB      LYS  42   1.354  -5.036 -11.176
  343    HB3  LYS  42           3HB      LYS  42   1.124  -6.777 -11.248
  344    HG2  LYS  42           2HG      LYS  42   0.209  -5.831 -13.246
  345    HG3  LYS  42           3HG      LYS  42  -1.134  -6.397 -12.262
  346    HD2  LYS  42           2HD      LYS  42  -1.558  -4.065 -11.522
  347    HD3  LYS  42           3HD      LYS  42  -0.211  -3.506 -12.512
  348    HE2  LYS  42           2HE      LYS  42  -1.395  -4.247 -14.540
  349    HE3  LYS  42           3HE      LYS  42  -2.737  -4.827 -13.549
  350    HZ1  LYS  42           3HZ      LYS  42  -1.826  -2.011 -13.798
  351    HZ2  LYS  42           1HZ      LYS  42  -3.055  -2.545 -12.764
  352    HZ3  LYS  42           2HZ      LYS  42  -3.241  -2.675 -14.436
  353    H    LEU  43           H        LEU  43   0.085  -5.065  -7.288
  354    HA   LEU  43           HA       LEU  43   2.500  -6.525  -6.512
  355    HB2  LEU  43           2HB      LEU  43   0.673  -4.681  -4.908
  356    HB3  LEU  43           3HB      LEU  43   2.168  -5.381  -4.301
  357    HG   LEU  43           HG       LEU  43   1.930  -3.370  -6.571
  358   HD11  LEU  43          1HD1      LEU  43   3.079  -1.816  -5.062
  359   HD12  LEU  43          2HD1      LEU  43   3.057  -3.028  -3.779
  360   HD13  LEU  43          3HD1      LEU  43   1.541  -2.352  -4.382
  361   HD21  LEU  43          3HD2      LEU  43   4.396  -3.329  -6.570
  362   HD22  LEU  43          1HD2      LEU  43   3.775  -4.914  -7.018
  363   HD23  LEU  43          2HD2      LEU  43   4.424  -4.644  -5.399
  364    H    THR  44           H        THR  44   2.349  -7.641  -4.271
  365    HA   THR  44           HA       THR  44  -0.037  -9.389  -4.134
  366    HB   THR  44           HB       THR  44   1.268 -10.880  -2.708
  367    HG1  THR  44           HG1      THR  44   3.686 -10.013  -2.631
  368   HG21  THR  44          3HG2      THR  44   3.112 -11.547  -4.206
  369   HG22  THR  44          1HG2      THR  44   3.005  -9.997  -5.045
  370   HG23  THR  44          2HG2      THR  44   1.669 -11.146  -5.139
  371    H    GLU  45           H        GLU  45  -1.064  -9.684  -2.013
  372    HA   GLU  45           HA       GLU  45  -1.457  -7.401  -0.415
  373    HB2  GLU  45           2HB      GLU  45  -1.873 -10.334   0.288
  374    HB3  GLU  45           3HB      GLU  45  -2.430  -8.992   1.290
  375    HG2  GLU  45           2HG      GLU  45  -3.809  -8.193  -0.634
  376    HG3  GLU  45           3HG      GLU  45  -3.336  -9.644  -1.523
  377    H    THR  46           H        THR  46   0.962  -9.926  -0.199
  378    HA   THR  46           HA       THR  46   2.066  -9.368   2.326
  379    HB   THR  46           HB       THR  46   3.398 -10.478  -0.191
  380    HG1  THR  46           HG1      THR  46   2.314 -12.213   0.327
  381   HG21  THR  46          3HG2      THR  46   5.109  -9.705   1.424
  382   HG22  THR  46          1HG2      THR  46   5.071 -11.470   1.340
  383   HG23  THR  46          2HG2      THR  46   4.328 -10.632   2.704
  384    H    GLN  47           H        GLN  47   2.990  -8.140  -0.931
  385    HA   GLN  47           HA       GLN  47   5.142  -6.506  -0.064
  386    HB2  GLN  47           2HB      GLN  47   3.512  -6.405  -2.623
  387    HB3  GLN  47           3HB      GLN  47   4.993  -5.487  -2.365
  388    HG2  GLN  47           2HG      GLN  47   6.286  -7.544  -2.171
  389    HG3  GLN  47           3HG      GLN  47   4.817  -8.516  -2.295
  390   HE21  GLN  47          1HE2      GLN  47   5.604  -5.650  -4.245
  391   HE22  GLN  47          2HE2      GLN  47   5.702  -6.503  -5.741
  392    H    VAL  48           H        VAL  48   1.723  -5.722  -0.741
  393    HA   VAL  48           HA       VAL  48   1.860  -2.926  -0.266
  394    HB   VAL  48           HB       VAL  48  -0.507  -4.827   0.142
  395   HG11  VAL  48          1HG1      VAL  48  -0.911  -2.706   1.338
  396   HG12  VAL  48          2HG1      VAL  48  -1.964  -2.826  -0.070
  397   HG13  VAL  48          3HG1      VAL  48  -0.537  -1.787  -0.121
  398   HG21  VAL  48          3HG2      VAL  48  -1.223  -4.088  -2.115
  399   HG22  VAL  48          1HG2      VAL  48   0.359  -4.870  -2.165
  400   HG23  VAL  48          2HG2      VAL  48   0.240  -3.112  -2.266
  401    H    LYS  49           H        LYS  49   1.132  -5.655   1.936
  402    HA   LYS  49           HA       LYS  49   0.834  -4.259   4.353
  403    HB2  LYS  49           2HB      LYS  49   0.221  -6.605   4.162
  404    HB3  LYS  49           3HB      LYS  49   1.881  -7.063   3.803
  405    HG2  LYS  49           2HG      LYS  49   2.551  -6.422   6.108
  406    HG3  LYS  49           3HG      LYS  49   0.882  -5.967   6.457
  407    HD2  LYS  49           2HD      LYS  49   1.419  -8.202   7.363
  408    HD3  LYS  49           3HD      LYS  49   0.149  -8.291   6.141
  409    HE2  LYS  49           2HE      LYS  49   1.805  -9.047   4.469
  410    HE3  LYS  49           3HE      LYS  49   3.085  -8.928   5.677
  411    HZ1  LYS  49           3HZ      LYS  49   1.967 -10.643   6.967
  412    HZ2  LYS  49           1HZ      LYS  49   2.328 -11.194   5.407
  413    HZ3  LYS  49           2HZ      LYS  49   0.745 -10.750   5.802
  414    H    ILE  50           H        ILE  50   3.781  -5.494   2.780
  415    HA   ILE  50           HA       ILE  50   5.647  -4.941   4.830
  416    HB   ILE  50           HB       ILE  50   6.002  -5.258   1.818
  417   HG12  ILE  50          2HG1      ILE  50   6.755  -7.185   4.073
  418   HG13  ILE  50          3HG1      ILE  50   5.240  -7.266   3.180
  419   HG21  ILE  50          1HG2      ILE  50   8.451  -5.525   2.219
  420   HG22  ILE  50          2HG2      ILE  50   8.215  -5.072   3.908
  421   HG23  ILE  50          3HG2      ILE  50   7.888  -3.903   2.631
  422   HD11  ILE  50          3HD1      ILE  50   6.864  -8.866   2.361
  423   HD12  ILE  50          1HD1      ILE  50   7.989  -7.562   1.986
  424   HD13  ILE  50          2HD1      ILE  50   6.454  -7.684   1.121
  425    H    TRP  51           H        TRP  51   4.736  -3.057   1.907
  426    HA   TRP  51           HA       TRP  51   6.482  -0.894   2.306
  427    HB2  TRP  51           2HB      TRP  51   5.294  -1.286   0.154
  428    HB3  TRP  51           3HB      TRP  51   3.769  -0.835   0.909
  429    HD1  TRP  51           HD1      TRP  51   7.071   0.742  -0.313
  430    HE1  TRP  51           HE1      TRP  51   6.756   3.265  -0.567
  431    HE3  TRP  51           HE3      TRP  51   2.454   1.181   1.779
  432    HZ2  TRP  51           HZ2      TRP  51   4.821   5.196   0.055
  433    HZ3  TRP  51           HZ3      TRP  51   1.437   3.409   1.938
  434    HH2  TRP  51           HH2      TRP  51   2.602   5.382   1.091
  435    H    PHE  52           H        PHE  52   2.981  -1.129   3.145
  436    HA   PHE  52           HA       PHE  52   2.769   1.311   4.518
  437    HB2  PHE  52           2HB      PHE  52   1.159  -1.244   4.558
  438    HB3  PHE  52           3HB      PHE  52   0.797  -0.008   5.754
  439    HD1  PHE  52           HD1      PHE  52   0.827  -0.716   2.091
  440    HD2  PHE  52           HD2      PHE  52  -0.355   2.028   5.147
  441    HE1  PHE  52           HE1      PHE  52  -0.556   0.501   0.469
  442    HE2  PHE  52           HE2      PHE  52  -1.739   3.238   3.518
  443    HZ   PHE  52           HZ       PHE  52  -1.842   2.480   1.176
  444    H    GLN  53           H        GLN  53   3.840  -1.848   5.726
  445    HA   GLN  53           HA       GLN  53   3.889  -1.262   8.511
  446    HB2  GLN  53           2HB      GLN  53   3.917  -3.567   7.647
  447    HB3  GLN  53           3HB      GLN  53   5.487  -3.302   6.896
  448    HG2  GLN  53           2HG      GLN  53   6.494  -3.024   9.146
  449    HG3  GLN  53           3HG      GLN  53   4.917  -3.317   9.879
  450   HE21  GLN  53          1HE2      GLN  53   7.564  -4.782   8.139
  451   HE22  GLN  53          2HE2      GLN  53   7.126  -6.418   8.462
  452    H    ASN  54           H        ASN  54   6.536  -1.339   6.106
  453    HA   ASN  54           HA       ASN  54   8.613  -0.223   7.613
  454    HB2  ASN  54           2HB      ASN  54   8.085  -0.018   4.616
  455    HB3  ASN  54           3HB      ASN  54   9.596   0.468   5.380
  456   HD21  ASN  54          1HD2      ASN  54   9.078  -1.575   3.354
  457   HD22  ASN  54          2HD2      ASN  54   9.696  -3.049   4.004
  458    H    ARG  55           H        ARG  55   6.095   1.319   5.688
  459    HA   ARG  55           HA       ARG  55   7.108   3.953   5.717
  460    HB2  ARG  55           2HB      ARG  55   5.149   2.656   4.301
  461    HB3  ARG  55           3HB      ARG  55   4.145   3.573   5.406
  462    HG2  ARG  55           2HG      ARG  55   4.401   4.817   3.375
  463    HG3  ARG  55           3HG      ARG  55   5.285   5.657   4.650
  464    HD2  ARG  55           2HD      ARG  55   7.412   4.779   3.812
  465    HD3  ARG  55           3HD      ARG  55   6.565   3.789   2.603
  466    HE   ARG  55           HE       ARG  55   5.871   6.502   2.281
  467   HH11  ARG  55          1HH1      ARG  55   8.549   4.387   1.726
  468   HH12  ARG  55          2HH1      ARG  55   9.153   5.350   0.423
  469   HH21  ARG  55          1HH2      ARG  55   6.645   7.693   0.641
  470   HH22  ARG  55          2HH2      ARG  55   8.088   7.213  -0.173
  471    H    ARG  56           H        ARG  56   4.818   2.280   7.881
  472    HA   ARG  56           HA       ARG  56   4.241   4.578   9.522
  473    HB2  ARG  56           2HB      ARG  56   3.895   1.589  10.016
  474    HB3  ARG  56           3HB      ARG  56   3.386   2.830  11.162
  475    HG2  ARG  56           2HG      ARG  56   1.846   3.763   9.464
  476    HG3  ARG  56           3HG      ARG  56   2.337   2.497   8.334
  477    HD2  ARG  56           2HD      ARG  56   0.988   2.047  11.015
  478    HD3  ARG  56           3HD      ARG  56   0.188   1.968   9.445
  479    HE   ARG  56           HE       ARG  56   2.105   0.041  10.554
  480   HH11  ARG  56          1HH1      ARG  56   0.039   0.875   7.896
  481   HH12  ARG  56          2HH1      ARG  56   0.004  -0.744   7.294
  482   HH21  ARG  56          1HH2      ARG  56   2.052  -1.996   9.743
  483   HH22  ARG  56          2HH2      ARG  56   1.134  -2.347   8.322
  484    H    TYR  57           H        TYR  57   6.746   2.119   9.450
  485    HA   TYR  57           HA       TYR  57   7.983   2.828  11.951
  486    HB2  TYR  57           2HB      TYR  57   8.247   0.588  10.893
  487    HB3  TYR  57           3HB      TYR  57   9.109   1.329   9.553
  488    HD1  TYR  57           HD1      TYR  57   9.293   0.948  13.285
  489    HD2  TYR  57           HD2      TYR  57  11.497   1.443   9.647
  490    HE1  TYR  57           HE1      TYR  57  11.396   0.643  14.514
  491    HE2  TYR  57           HE2      TYR  57  13.597   1.141  10.884
  492    HH   TYR  57           HH       TYR  57  13.725  -0.040  14.059
  493    H    LYS  58           H        LYS  58   8.123   4.087   8.668
  494    HA   LYS  58           HA       LYS  58  10.616   5.528   8.920
  495    HB2  LYS  58           2HB      LYS  58   8.359   5.806   6.898
  496    HB3  LYS  58           3HB      LYS  58   9.879   6.678   6.794
  497    HG2  LYS  58           2HG      LYS  58   9.589   3.660   6.640
  498    HG3  LYS  58           3HG      LYS  58   9.741   4.734   5.261
  499    HD2  LYS  58           2HD      LYS  58  11.923   3.946   5.486
  500    HD3  LYS  58           3HD      LYS  58  12.006   5.460   6.376
  501    HE2  LYS  58           2HE      LYS  58  11.779   4.188   8.505
  502    HE3  LYS  58           3HE      LYS  58  11.721   2.686   7.584
  503    HZ1  LYS  58           3HZ      LYS  58  13.934   3.119   6.773
  504    HZ2  LYS  58           1HZ      LYS  58  13.929   3.146   8.463
  505    HZ3  LYS  58           2HZ      LYS  58  13.992   4.595   7.593
  506    H    THR  59           H        THR  59   7.470   6.070  10.083
  507    HA   THR  59           HA       THR  59   8.055   8.915  10.686
  508    HB   THR  59           HB       THR  59   6.090   8.754   9.182
  509    HG1  THR  59           HG1      THR  59   4.530   9.697  10.834
  510   HG21  THR  59          3HG2      THR  59   5.283   6.485   9.781
  511   HG22  THR  59          1HG2      THR  59   3.990   7.686   9.901
  512   HG23  THR  59          2HG2      THR  59   4.777   7.085  11.360
  513    H    LYS  60           H        LYS  60   6.650   9.531  12.791
  514    HA   LYS  60           HA       LYS  60   6.613   9.462  15.056
  515    HB2  LYS  60           2HB      LYS  60   6.082   6.514  14.553
  516    HB3  LYS  60           3HB      LYS  60   6.081   7.205  16.170
  517    HG2  LYS  60           2HG      LYS  60   4.223   8.709  15.509
  518    HG3  LYS  60           3HG      LYS  60   4.201   7.951  13.910
  519    HD2  LYS  60           2HD      LYS  60   3.597   5.800  14.879
  520    HD3  LYS  60           3HD      LYS  60   3.795   6.430  16.516
  521    HE2  LYS  60           2HE      LYS  60   1.426   6.256  15.937
  522    HE3  LYS  60           3HE      LYS  60   1.877   7.944  16.163
  523    HZ1  LYS  60           3HZ      LYS  60   0.443   7.575  14.236
  524    HZ2  LYS  60           1HZ      LYS  60   1.629   6.606  13.524
  525    HZ3  LYS  60           2HZ      LYS  60   1.931   8.243  13.802
  526    H    ARG  61           H        ARG  61   9.196   8.823  13.512
  527    HA   ARG  61           HA       ARG  61  10.893   7.236  15.122
  528    HB2  ARG  61           2HB      ARG  61  11.466   7.781  12.815
  529    HB3  ARG  61           3HB      ARG  61  11.510   9.502  13.173
  530    HG2  ARG  61           2HG      ARG  61  13.506   9.171  14.587
  531    HG3  ARG  61           3HG      ARG  61  13.440   7.434  14.286
  532    HD2  ARG  61           2HD      ARG  61  13.801   9.504  12.096
  533    HD3  ARG  61           3HD      ARG  61  15.144   8.701  12.918
  534    HE   ARG  61           HE       ARG  61  13.534   6.664  11.994
  535   HH11  ARG  61          1HH1      ARG  61  15.212   9.286  10.462
  536   HH12  ARG  61          2HH1      ARG  61  15.527   8.371   9.032
  537   HH21  ARG  61          1HH2      ARG  61  13.988   5.529  10.168
  538   HH22  ARG  61          2HH2      ARG  61  14.842   6.280   8.866
  539    H    LYS  62           H        LYS  62  12.509   7.852  16.629
  540    HA   LYS  62           HA       LYS  62  11.734   9.421  18.771
  541    HB2  LYS  62           2HB      LYS  62  13.307   7.564  18.944
  542    HB3  LYS  62           3HB      LYS  62  14.491   8.416  17.968
  543    HG2  LYS  62           2HG      LYS  62  15.001   9.957  19.727
  544    HG3  LYS  62           3HG      LYS  62  13.586   9.468  20.663
  545    HD2  LYS  62           2HD      LYS  62  15.963   7.664  20.057
  546    HD3  LYS  62           3HD      LYS  62  15.746   8.561  21.562
  547    HE2  LYS  62           2HE      LYS  62  13.672   7.311  22.024
  548    HE3  LYS  62           3HE      LYS  62  13.842   6.440  20.501
  549    HZ1  LYS  62           3HZ      LYS  62  15.945   5.533  21.355
  550    HZ2  LYS  62           1HZ      LYS  62  14.609   5.081  22.283
  551    HZ3  LYS  62           2HZ      LYS  62  15.656   6.282  22.838
  552    H    GLN  63           H        GLN  63  12.735  11.324  19.740
  553    HA   GLN  63           HA       GLN  63  12.911  13.679  18.345
  554    HB2  GLN  63           2HB      GLN  63  14.274  12.949  20.971
  555    HB3  GLN  63           3HB      GLN  63  14.218  14.586  20.345
  556    HG2  GLN  63           2HG      GLN  63  12.458  14.693  21.800
  557    HG3  GLN  63           3HG      GLN  63  11.596  14.177  20.358
  558   HE21  GLN  63          1HE2      GLN  63  10.829  13.879  23.135
  559   HE22  GLN  63          2HE2      GLN  63  10.624  12.189  23.416
  560    H    LEU  64           H        LEU  64  14.611  15.017  17.604
  561    HA   LEU  64           HA       LEU  64  16.686  13.775  16.158
  562    HB2  LEU  64           2HB      LEU  64  15.636  15.920  15.517
  563    HB3  LEU  64           3HB      LEU  64  16.365  16.705  16.907
  564    HG   LEU  64           HG       LEU  64  18.637  16.302  15.925
  565   HD11  LEU  64          1HD1      LEU  64  17.143  15.217  13.517
  566   HD12  LEU  64          2HD1      LEU  64  18.163  14.289  14.620
  567   HD13  LEU  64          3HD1      LEU  64  18.880  15.534  13.600
  568   HD21  LEU  64          3HD2      LEU  64  16.757  17.786  14.055
  569   HD22  LEU  64          1HD2      LEU  64  18.510  17.980  14.135
  570   HD23  LEU  64          2HD2      LEU  64  17.511  18.448  15.507
  571    H    SER  65           H        SER  65  16.667  15.133  19.394
  572    HA   SER  65           HA       SER  65  19.434  15.210  19.956
  573    HB2  SER  65           2HB      SER  65  18.762  15.083  22.335
  574    HB3  SER  65           3HB      SER  65  17.690  16.175  21.459
  575    HG   SER  65           HG       SER  65  16.354  14.900  22.634
  576    H    SER  66           H        SER  66  17.045  12.604  20.102
  577    HA   SER  66           HA       SER  66  17.041  10.389  20.508
  578    HB2  SER  66           2HB      SER  66  18.677   9.028  19.334
  579    HB3  SER  66           3HB      SER  66  18.342  10.453  18.356
  580    HG   SER  66           HG       SER  66  20.303  11.323  18.976
  581    H    GLU  67           H        GLU  67  18.082  12.114  22.644
  582    HA   GLU  67           HA       GLU  67  20.229  10.919  24.070
  583    HB2  GLU  67           2HB      GLU  67  19.570  13.246  24.436
  584    HB3  GLU  67           3HB      GLU  67  17.974  12.751  24.984
  585    HG2  GLU  67           2HG      GLU  67  19.092  11.574  26.924
  586    HG3  GLU  67           3HG      GLU  67  20.617  12.290  26.407
  587    H    LEU  68           H        LEU  68  16.750  10.957  24.901
  588    HA   LEU  68           HA       LEU  68  16.691   8.951  26.801
  589    HB2  LEU  68           2HB      LEU  68  14.294   8.795  26.451
  590    HB3  LEU  68           3HB      LEU  68  14.790  10.469  26.379
  591    HG   LEU  68           HG       LEU  68  14.054   8.764  23.952
  592   HD11  LEU  68          1HD1      LEU  68  12.447  10.936  25.337
  593   HD12  LEU  68          2HD1      LEU  68  12.093   9.206  25.347
  594   HD13  LEU  68          3HD1      LEU  68  11.995  10.112  23.840
  595   HD21  LEU  68          3HD2      LEU  68  15.652  10.526  23.324
  596   HD22  LEU  68          1HD2      LEU  68  14.633  11.751  24.086
  597   HD23  LEU  68          2HD2      LEU  68  14.056  10.876  22.664
  598    H    GLY  69           H        GLY  69  16.660   6.739  26.785
  599    HA2  GLY  69           2HA      GLY  69  16.540   5.249  24.214
  600    HA3  GLY  69           3HA      GLY  69  17.877   5.004  25.326
  Start of MODEL   12
    1    H1   MET   1           1H       MET   1  39.688 -12.173  -2.066
    2    H2   MET   1           2H       MET   1  39.244 -11.660  -0.518
    3    H3   MET   1           3H       MET   1  38.292 -11.247  -1.851
    4    HA   MET   1           HA       MET   1  37.705 -13.526  -2.220
    5    HB2  MET   1           2HB      MET   1  39.422 -14.039   0.247
    6    HB3  MET   1           3HB      MET   1  38.374 -15.241  -0.500
    7    HG2  MET   1           2HG      MET   1  40.745 -13.917  -1.834
    8    HG3  MET   1           3HG      MET   1  40.729 -15.542  -1.149
    9    HE1  MET   1           3HE      MET   1  38.194 -17.355  -3.590
   10    HE2  MET   1           1HE      MET   1  37.772 -16.567  -2.074
   11    HE3  MET   1           2HE      MET   1  39.229 -17.561  -2.175
   12    H    GLY   2           H        GLY   2  35.741 -14.225  -1.376
   13    HA2  GLY   2           2HA      GLY   2  34.370 -14.431   0.748
   14    HA3  GLY   2           3HA      GLY   2  34.605 -12.695   0.901
   15    H    HIS   3           H        HIS   3  32.151 -12.994   0.964
   16    HA   HIS   3           HA       HIS   3  31.069 -12.336  -1.690
   17    HB2  HIS   3           2HB      HIS   3  28.984 -13.720  -1.185
   18    HB3  HIS   3           3HB      HIS   3  30.425 -14.646  -1.566
   19    HD1  HIS   3           HD1      HIS   3  28.007 -13.982   1.197
   20    HD2  HIS   3           HD2      HIS   3  31.454 -16.193   0.556
   21    HE1  HIS   3           HE1      HIS   3  28.188 -15.528   3.157
   22    HE2  HIS   3           HE2      HIS   3  30.369 -16.720   2.829
   23    H    HIS   4           H        HIS   4  29.744 -10.631  -1.656
   24    HA   HIS   4           HA       HIS   4  28.147  -9.800   0.585
   25    HB2  HIS   4           2HB      HIS   4  30.332  -8.987   1.407
   26    HB3  HIS   4           3HB      HIS   4  30.627  -8.148  -0.109
   27    HD1  HIS   4           HD1      HIS   4  28.120  -8.035   2.765
   28    HD2  HIS   4           HD2      HIS   4  29.847  -5.526  -0.055
   29    HE1  HIS   4           HE1      HIS   4  27.330  -5.728   3.335
   30    HE2  HIS   4           HE2      HIS   4  28.188  -4.286   1.473
   31    H    HIS   5           H        HIS   5  26.343  -9.053  -0.416
   32    HA   HIS   5           HA       HIS   5  26.478  -7.114  -2.578
   33    HB2  HIS   5           2HB      HIS   5  26.683  -9.276  -3.805
   34    HB3  HIS   5           3HB      HIS   5  25.175  -9.827  -3.084
   35    HD1  HIS   5           HD1      HIS   5  23.119  -9.366  -4.451
   36    HD2  HIS   5           HD2      HIS   5  26.257  -6.867  -5.514
   37    HE1  HIS   5           HE1      HIS   5  22.285  -8.029  -6.387
   38    HE2  HIS   5           HE2      HIS   5  24.129  -6.395  -6.884
   39    H    HIS   6           H        HIS   6  25.134  -5.618  -1.711
   40    HA   HIS   6           HA       HIS   6  22.617  -6.366  -0.402
   41    HB2  HIS   6           2HB      HIS   6  23.977  -4.587   0.633
   42    HB3  HIS   6           3HB      HIS   6  23.908  -3.636  -0.849
   43    HD1  HIS   6           HD1      HIS   6  21.496  -5.031   1.763
   44    HD2  HIS   6           HD2      HIS   6  21.823  -1.838  -0.873
   45    HE1  HIS   6           HE1      HIS   6  19.487  -3.601   2.184
   46    HE2  HIS   6           HE2      HIS   6  19.784  -1.613   0.690
   47    H    HIS   7           H        HIS   7  20.796  -6.612  -1.602
   48    HA   HIS   7           HA       HIS   7  20.484  -5.268  -4.202
   49    HB2  HIS   7           2HB      HIS   7  18.462  -6.670  -4.466
   50    HB3  HIS   7           3HB      HIS   7  19.871  -7.645  -4.076
   51    HD1  HIS   7           HD1      HIS   7  19.715  -9.093  -1.983
   52    HD2  HIS   7           HD2      HIS   7  16.520  -6.489  -2.350
   53    HE1  HIS   7           HE1      HIS   7  18.073  -9.816  -0.251
   54    HE2  HIS   7           HE2      HIS   7  16.072  -8.352  -0.643
   55    H    HIS   8           H        HIS   8  18.850  -3.727  -4.637
   56    HA   HIS   8           HA       HIS   8  17.492  -2.534  -2.303
   57    HB2  HIS   8           2HB      HIS   8  17.071  -0.564  -3.715
   58    HB3  HIS   8           3HB      HIS   8  18.778  -0.944  -3.623
   59    HD1  HIS   8           HD1      HIS   8  19.961  -1.567  -5.840
   60    HD2  HIS   8           HD2      HIS   8  15.925  -0.742  -6.300
   61    HE1  HIS   8           HE1      HIS   8  19.616  -1.266  -8.294
   62    HE2  HIS   8           HE2      HIS   8  17.205  -0.620  -8.531
   63    H    SER   9           H        SER   9  15.475  -3.182  -1.884
   64    HA   SER   9           HA       SER   9  13.713  -4.096  -4.095
   65    HB2  SER   9           2HB      SER   9  13.676  -4.908  -1.159
   66    HB3  SER   9           3HB      SER   9  12.475  -5.409  -2.349
   67    HG   SER   9           HG       SER   9  13.951  -7.012  -2.270
   68    H    HIS  10           H        HIS  10  13.151  -1.895  -4.515
   69    HA   HIS  10           HA       HIS  10  11.011  -0.871  -2.728
   70    HB2  HIS  10           2HB      HIS  10  12.840   0.700  -4.601
   71    HB3  HIS  10           3HB      HIS  10  11.451   1.388  -3.762
   72    HD1  HIS  10           HD1      HIS  10  11.699   1.852  -1.235
   73    HD2  HIS  10           HD2      HIS  10  15.113   0.246  -2.975
   74    HE1  HIS  10           HE1      HIS  10  13.517   2.119   0.473
   75    HE2  HIS  10           HE2      HIS  10  15.518   0.993  -0.540
   76    H    MET  11           H        MET  11   9.042  -0.420  -3.661
   77    HA   MET  11           HA       MET  11   8.198  -1.604  -6.048
   78    HB2  MET  11           2HB      MET  11   6.959   0.630  -4.396
   79    HB3  MET  11           3HB      MET  11   6.125  -0.171  -5.721
   80    HG2  MET  11           2HG      MET  11   5.392  -1.099  -3.612
   81    HG3  MET  11           3HG      MET  11   6.297  -2.323  -4.505
   82    HE1  MET  11           3HE      MET  11   7.214  -3.187  -0.779
   83    HE2  MET  11           1HE      MET  11   6.562  -3.806  -2.295
   84    HE3  MET  11           2HE      MET  11   5.651  -2.616  -1.363
   85    H    SER  12           H        SER  12   7.057  -0.350  -7.880
   86    HA   SER  12           HA       SER  12   9.011   1.135  -9.369
   87    HB2  SER  12           2HB      SER  12   7.335  -0.350 -10.470
   88    HB3  SER  12           3HB      SER  12   6.049   0.747  -9.972
   89    HG   SER  12           HG       SER  12   7.415   0.852 -12.171
   90    H    HIS  13           H        HIS  13   8.572   3.374 -10.350
   91    HA   HIS  13           HA       HIS  13   8.549   5.234  -8.250
   92    HB2  HIS  13           2HB      HIS  13   9.762   5.628 -10.347
   93    HB3  HIS  13           3HB      HIS  13   8.252   5.751 -11.238
   94    HD1  HIS  13           HD1      HIS  13  10.433   7.673  -8.857
   95    HD2  HIS  13           HD2      HIS  13   6.914   8.242 -10.989
   96    HE1  HIS  13           HE1      HIS  13   9.956  10.127  -8.738
   97    HE2  HIS  13           HE2      HIS  13   7.782  10.424  -9.947
   98    H    THR  14           H        THR  14   6.130   5.130 -10.920
   99    HA   THR  14           HA       THR  14   4.229   6.874  -9.807
  100    HB   THR  14           HB       THR  14   3.737   4.574 -11.756
  101    HG1  THR  14           HG1      THR  14   4.062   7.223 -12.627
  102   HG21  THR  14          3HG2      THR  14   1.608   5.520 -10.900
  103   HG22  THR  14          1HG2      THR  14   1.853   5.918 -12.614
  104   HG23  THR  14          2HG2      THR  14   2.137   7.132 -11.370
  105    H    GLN  15           H        GLN  15   4.722   3.448  -9.391
  106    HA   GLN  15           HA       GLN  15   2.288   2.673  -8.171
  107    HB2  GLN  15           2HB      GLN  15   3.806   1.099  -9.222
  108    HB3  GLN  15           3HB      GLN  15   5.090   1.508  -8.094
  109    HG2  GLN  15           2HG      GLN  15   3.916   0.440  -6.268
  110    HG3  GLN  15           3HG      GLN  15   2.486   0.181  -7.278
  111   HE21  GLN  15          1HE2      GLN  15   2.570  -1.407  -8.884
  112   HE22  GLN  15          2HE2      GLN  15   3.757  -2.653  -8.858
  113    H    VAL  16           H        VAL  16   5.443   3.627  -6.736
  114    HA   VAL  16           HA       VAL  16   4.781   3.374  -4.015
  115    HB   VAL  16           HB       VAL  16   6.795   5.260  -5.347
  116   HG11  VAL  16          1HG1      VAL  16   6.510   4.610  -2.385
  117   HG12  VAL  16          2HG1      VAL  16   6.210   6.173  -3.145
  118   HG13  VAL  16          3HG1      VAL  16   7.845   5.516  -3.106
  119   HG21  VAL  16          3HG2      VAL  16   8.498   3.628  -4.607
  120   HG22  VAL  16          1HG2      VAL  16   7.305   2.857  -5.651
  121   HG23  VAL  16          2HG2      VAL  16   7.238   2.607  -3.908
  122    H    ILE  17           H        ILE  17   4.487   6.128  -6.257
  123    HA   ILE  17           HA       ILE  17   3.503   8.065  -4.466
  124    HB   ILE  17           HB       ILE  17   2.894   7.821  -7.450
  125   HG12  ILE  17          2HG1      ILE  17   5.188   9.332  -6.093
  126   HG13  ILE  17          3HG1      ILE  17   5.350   7.820  -6.970
  127   HG21  ILE  17          1HG2      ILE  17   2.778  10.279  -5.652
  128   HG22  ILE  17          2HG2      ILE  17   1.393   9.423  -6.332
  129   HG23  ILE  17          3HG2      ILE  17   2.513  10.269  -7.398
  130   HD11  ILE  17          3HD1      ILE  17   6.088   9.691  -8.307
  131   HD12  ILE  17          1HD1      ILE  17   4.512  10.467  -8.150
  132   HD13  ILE  17          2HD1      ILE  17   4.665   8.945  -9.032
  133    H    GLU  18           H        GLU  18   1.781   5.588  -6.396
  134    HA   GLU  18           HA       GLU  18  -0.885   6.290  -5.718
  135    HB2  GLU  18           2HB      GLU  18   0.363   3.654  -6.579
  136    HB3  GLU  18           3HB      GLU  18  -1.369   3.840  -6.340
  137    HG2  GLU  18           2HG      GLU  18   0.311   5.381  -8.338
  138    HG3  GLU  18           3HG      GLU  18  -0.730   4.008  -8.710
  139    H    LEU  19           H        LEU  19   1.374   3.971  -4.240
  140    HA   LEU  19           HA       LEU  19  -0.211   3.036  -2.107
  141    HB2  LEU  19           2HB      LEU  19   2.795   3.390  -2.406
  142    HB3  LEU  19           3HB      LEU  19   2.077   2.605  -1.015
  143    HG   LEU  19           HG       LEU  19   1.701   1.573  -3.851
  144   HD11  LEU  19          1HD1      LEU  19   3.447  -0.086  -3.388
  145   HD12  LEU  19          2HD1      LEU  19   3.794   0.686  -1.839
  146   HD13  LEU  19          3HD1      LEU  19   4.096   1.552  -3.348
  147   HD21  LEU  19          3HD2      LEU  19   1.277   0.236  -1.153
  148   HD22  LEU  19          1HD2      LEU  19   1.059  -0.523  -2.733
  149   HD23  LEU  19          2HD2      LEU  19   0.013   0.806  -2.245
  150    H    GLU  20           H        GLU  20   1.898   5.903  -2.386
  151    HA   GLU  20           HA       GLU  20   1.724   6.850   0.276
  152    HB2  GLU  20           2HB      GLU  20   2.412   8.216  -2.345
  153    HB3  GLU  20           3HB      GLU  20   2.488   9.062  -0.811
  154    HG2  GLU  20           2HG      GLU  20   4.070   6.522  -1.242
  155    HG3  GLU  20           3HG      GLU  20   4.665   8.068  -1.840
  156    H    ARG  21           H        ARG  21  -0.228   7.540  -2.636
  157    HA   ARG  21           HA       ARG  21  -1.918   9.542  -1.643
  158    HB2  ARG  21           2HB      ARG  21  -2.490   7.331  -3.656
  159    HB3  ARG  21           3HB      ARG  21  -3.601   8.661  -3.337
  160    HG2  ARG  21           2HG      ARG  21  -1.946  10.281  -4.139
  161    HG3  ARG  21           3HG      ARG  21  -0.771   8.989  -4.385
  162    HD2  ARG  21           2HD      ARG  21  -1.783   9.610  -6.516
  163    HD3  ARG  21           3HD      ARG  21  -2.260   7.965  -6.081
  164    HE   ARG  21           HE       ARG  21  -4.109  10.074  -5.325
  165   HH11  ARG  21          1HH1      ARG  21  -3.374   7.606  -7.660
  166   HH12  ARG  21          2HH1      ARG  21  -4.951   7.675  -8.363
  167   HH21  ARG  21          1HH2      ARG  21  -6.102  10.135  -6.266
  168   HH22  ARG  21          2HH2      ARG  21  -6.471   9.089  -7.593
  169    H    LYS  22           H        LYS  22  -2.079   6.035  -1.287
  170    HA   LYS  22           HA       LYS  22  -4.606   6.042   0.119
  171    HB2  LYS  22           2HB      LYS  22  -3.765   4.202  -1.419
  172    HB3  LYS  22           3HB      LYS  22  -2.613   3.765  -0.166
  173    HG2  LYS  22           2HG      LYS  22  -4.540   2.281  -0.110
  174    HG3  LYS  22           3HG      LYS  22  -4.464   3.245   1.366
  175    HD2  LYS  22           2HD      LYS  22  -6.241   4.735   0.532
  176    HD3  LYS  22           3HD      LYS  22  -6.275   3.873  -1.009
  177    HE2  LYS  22           2HE      LYS  22  -7.099   1.862   0.095
  178    HE3  LYS  22           3HE      LYS  22  -6.940   2.626   1.675
  179    HZ1  LYS  22           3HZ      LYS  22  -8.621   4.213   1.051
  180    HZ2  LYS  22           1HZ      LYS  22  -9.224   2.648   0.888
  181    HZ3  LYS  22           2HZ      LYS  22  -8.768   3.529  -0.482
  182    H    PHE  23           H        PHE  23  -1.181   5.807   1.017
  183    HA   PHE  23           HA       PHE  23  -1.471   5.198   3.772
  184    HB2  PHE  23           2HB      PHE  23   0.630   4.872   2.445
  185    HB3  PHE  23           3HB      PHE  23   0.845   6.615   2.386
  186    HD1  PHE  23           HD2      PHE  23   0.678   3.713   4.735
  187    HD2  PHE  23           HD1      PHE  23   1.988   7.742   4.190
  188    HE1  PHE  23           HE2      PHE  23   1.928   3.583   6.836
  189    HE2  PHE  23           HE1      PHE  23   3.243   7.609   6.294
  190    HZ   PHE  23           HZ       PHE  23   3.216   5.531   7.626
  191    H    SER  24           H        SER  24  -1.232   8.288   2.041
  192    HA   SER  24           HA       SER  24  -1.126  10.044   4.246
  193    HB2  SER  24           2HB      SER  24  -1.762  11.800   2.613
  194    HB3  SER  24           3HB      SER  24  -0.518  10.738   1.951
  195    HG   SER  24           HG       SER  24  -1.982   9.825   0.624
  196    H    HIS  25           H        HIS  25  -3.854   8.438   2.643
  197    HA   HIS  25           HA       HIS  25  -5.871   9.903   4.119
  198    HB2  HIS  25           2HB      HIS  25  -5.925   7.525   2.237
  199    HB3  HIS  25           3HB      HIS  25  -7.361   7.982   3.147
  200    HD1  HIS  25           HD1      HIS  25  -8.884   9.186   1.632
  201    HD2  HIS  25           HD2      HIS  25  -4.933  10.230   0.918
  202    HE1  HIS  25           HE1      HIS  25  -8.963  10.926  -0.160
  203    HE2  HIS  25           HE2      HIS  25  -6.556  11.361  -0.726
  204    H    GLN  26           H        GLN  26  -4.307   6.723   4.356
  205    HA   GLN  26           HA       GLN  26  -5.129   6.419   7.139
  206    HB2  GLN  26           2HB      GLN  26  -6.149   4.180   6.781
  207    HB3  GLN  26           3HB      GLN  26  -7.051   5.471   5.996
  208    HG2  GLN  26           2HG      GLN  26  -5.968   4.843   3.825
  209    HG3  GLN  26           3HG      GLN  26  -5.199   3.486   4.649
  210   HE21  GLN  26          1HE2      GLN  26  -6.531   1.772   5.391
  211   HE22  GLN  26          2HE2      GLN  26  -8.095   1.508   4.715
  212    H    LYS  27           H        LYS  27  -3.706   5.314   8.323
  213    HA   LYS  27           HA       LYS  27  -1.084   4.851   7.293
  214    HB2  LYS  27           2HB      LYS  27  -2.369   4.496  10.019
  215    HB3  LYS  27           3HB      LYS  27  -0.659   4.227   9.739
  216    HG2  LYS  27           2HG      LYS  27  -2.084   6.848   9.213
  217    HG3  LYS  27           3HG      LYS  27  -1.170   6.478  10.678
  218    HD2  LYS  27           2HD      LYS  27   0.906   6.346   9.452
  219    HD3  LYS  27           3HD      LYS  27   0.070   6.388   7.899
  220    HE2  LYS  27           2HE      LYS  27   0.070   8.678   9.888
  221    HE3  LYS  27           3HE      LYS  27   1.179   8.550   8.522
  222    HZ1  LYS  27           3HZ      LYS  27  -0.694   8.583   7.019
  223    HZ2  LYS  27           1HZ      LYS  27  -0.734   9.949   8.015
  224    HZ3  LYS  27           2HZ      LYS  27  -1.783   8.658   8.309
  225    H    TYR  28           H        TYR  28  -3.750   2.724   7.981
  226    HA   TYR  28           HA       TYR  28  -2.204   0.384   7.080
  227    HB2  TYR  28           2HB      TYR  28  -3.916   0.448   9.611
  228    HB3  TYR  28           3HB      TYR  28  -3.395  -1.043   8.831
  229    HD1  TYR  28           HD2      TYR  28  -0.899  -1.543   8.668
  230    HD2  TYR  28           HD1      TYR  28  -2.429   1.614  11.117
  231    HE1  TYR  28           HE2      TYR  28   1.204  -1.515   9.932
  232    HE2  TYR  28           HE1      TYR  28  -0.328   1.644  12.390
  233    HH   TYR  28           HH       TYR  28   2.481  -0.021  11.334
  234    H    LEU  29           H        LEU  29  -3.379  -1.049   5.848
  235    HA   LEU  29           HA       LEU  29  -6.121  -0.285   5.071
  236    HB2  LEU  29           2HB      LEU  29  -4.261  -2.356   3.838
  237    HB3  LEU  29           3HB      LEU  29  -5.780  -1.787   3.158
  238    HG   LEU  29           HG       LEU  29  -3.207  -0.202   3.456
  239   HD11  LEU  29          1HD1      LEU  29  -4.696  -1.081   0.975
  240   HD12  LEU  29          2HD1      LEU  29  -3.190  -1.768   1.591
  241   HD13  LEU  29          3HD1      LEU  29  -3.226  -0.100   1.021
  242   HD21  LEU  29          3HD2      LEU  29  -5.082   1.276   3.932
  243   HD22  LEU  29          1HD2      LEU  29  -5.894   0.766   2.447
  244   HD23  LEU  29          2HD2      LEU  29  -4.374   1.660   2.370
  245    H    SER  30           H        SER  30  -7.858  -1.749   5.140
  246    HA   SER  30           HA       SER  30  -7.663  -4.150   6.791
  247    HB2  SER  30           2HB      SER  30 -10.005  -3.065   5.166
  248    HB3  SER  30           3HB      SER  30 -10.092  -4.396   6.321
  249    HG   SER  30           HG       SER  30 -10.772  -2.430   7.238
  250    H    ALA  31           H        ALA  31  -8.613  -6.231   5.809
  251    HA   ALA  31           HA       ALA  31  -6.982  -7.179   3.778
  252    HB1  ALA  31           3HB      ALA  31  -8.069  -8.613   5.446
  253    HB2  ALA  31           1HB      ALA  31  -8.312  -9.218   3.816
  254    HB3  ALA  31           2HB      ALA  31  -9.626  -8.377   4.647
  255    HA   PRO  32           HA       PRO  32 -10.601  -6.551   0.456
  256    HB2  PRO  32           2HB      PRO  32 -12.222  -4.329   0.988
  257    HB3  PRO  32           3HB      PRO  32 -12.694  -6.018   1.276
  258    HG2  PRO  32           2HG      PRO  32 -11.590  -4.007   3.214
  259    HG3  PRO  32           3HG      PRO  32 -12.923  -5.168   3.434
  260    HD2  PRO  32           2HD      PRO  32 -10.492  -5.663   4.454
  261    HD3  PRO  32           3HD      PRO  32 -11.462  -6.979   3.756
  262    H    GLU  33           H        GLU  33  -9.675  -3.495   2.183
  263    HA   GLU  33           HA       GLU  33  -9.187  -1.928  -0.107
  264    HB2  GLU  33           2HB      GLU  33  -8.269  -1.680   2.775
  265    HB3  GLU  33           3HB      GLU  33  -7.726  -0.527   1.566
  266    HG2  GLU  33           2HG      GLU  33  -9.599   0.401   2.784
  267    HG3  GLU  33           3HG      GLU  33 -10.070   0.115   1.111
  268    H    ARG  34           H        ARG  34  -7.029  -4.028   1.715
  269    HA   ARG  34           HA       ARG  34  -4.591  -3.212   0.469
  270    HB2  ARG  34           2HB      ARG  34  -4.818  -4.255   2.745
  271    HB3  ARG  34           3HB      ARG  34  -5.203  -5.784   1.965
  272    HG2  ARG  34           2HG      ARG  34  -2.943  -5.741   0.882
  273    HG3  ARG  34           3HG      ARG  34  -2.577  -4.269   1.792
  274    HD2  ARG  34           2HD      ARG  34  -1.676  -6.328   2.872
  275    HD3  ARG  34           3HD      ARG  34  -2.824  -5.460   3.903
  276    HE   ARG  34           HE       ARG  34  -3.896  -7.606   2.250
  277   HH11  ARG  34          1HH1      ARG  34  -2.861  -6.712   5.436
  278   HH12  ARG  34          2HH1      ARG  34  -3.657  -8.062   6.161
  279   HH21  ARG  34          1HH2      ARG  34  -4.920  -9.250   3.190
  280   HH22  ARG  34          2HH2      ARG  34  -4.835  -9.469   4.903
  281    H    ALA  35           H        ALA  35  -6.825  -5.944  -0.015
  282    HA   ALA  35           HA       ALA  35  -5.457  -7.302  -2.071
  283    HB1  ALA  35           3HB      ALA  35  -7.615  -8.400  -2.518
  284    HB2  ALA  35           1HB      ALA  35  -8.444  -7.180  -1.535
  285    HB3  ALA  35           2HB      ALA  35  -7.305  -8.297  -0.785
  286    H    HIS  36           H        HIS  36  -8.040  -4.840  -2.249
  287    HA   HIS  36           HA       HIS  36  -8.266  -4.720  -5.056
  288    HB2  HIS  36           2HB      HIS  36  -8.965  -2.652  -2.940
  289    HB3  HIS  36           3HB      HIS  36  -9.382  -2.480  -4.641
  290    HD1  HIS  36           HD1      HIS  36 -10.284  -5.508  -5.037
  291    HD2  HIS  36           HD2      HIS  36 -11.573  -2.967  -2.015
  292    HE1  HIS  36           HE1      HIS  36 -12.501  -6.392  -4.306
  293    HE2  HIS  36           HE2      HIS  36 -13.158  -4.973  -2.354
  294    H    LEU  37           H        LEU  37  -6.313  -2.696  -2.791
  295    HA   LEU  37           HA       LEU  37  -5.225  -0.962  -4.780
  296    HB2  LEU  37           2HB      LEU  37  -5.241  -0.488  -2.311
  297    HB3  LEU  37           3HB      LEU  37  -3.997  -1.707  -2.097
  298    HG   LEU  37           HG       LEU  37  -2.474  -0.330  -3.585
  299   HD11  LEU  37          1HD1      LEU  37  -4.162   0.933  -4.821
  300   HD12  LEU  37          2HD1      LEU  37  -3.011   2.016  -4.044
  301   HD13  LEU  37          3HD1      LEU  37  -4.623   1.800  -3.352
  302   HD21  LEU  37          3HD2      LEU  37  -3.447   1.063  -1.068
  303   HD22  LEU  37          1HD2      LEU  37  -1.907   1.353  -1.884
  304   HD23  LEU  37          2HD2      LEU  37  -2.235  -0.218  -1.160
  305    H    ALA  38           H        ALA  38  -4.085  -4.026  -3.395
  306    HA   ALA  38           HA       ALA  38  -1.553  -4.221  -4.559
  307    HB1  ALA  38           3HB      ALA  38  -3.451  -6.494  -3.888
  308    HB2  ALA  38           1HB      ALA  38  -2.331  -5.716  -2.772
  309    HB3  ALA  38           2HB      ALA  38  -1.708  -6.640  -4.139
  310    H    LYS  39           H        LYS  39  -4.658  -5.564  -5.817
  311    HA   LYS  39           HA       LYS  39  -3.495  -6.641  -8.195
  312    HB2  LYS  39           2HB      LYS  39  -5.801  -7.054  -8.953
  313    HB3  LYS  39           3HB      LYS  39  -5.559  -7.565  -7.289
  314    HG2  LYS  39           2HG      LYS  39  -6.694  -5.508  -6.499
  315    HG3  LYS  39           3HG      LYS  39  -6.971  -5.026  -8.170
  316    HD2  LYS  39           2HD      LYS  39  -8.028  -7.633  -7.023
  317    HD3  LYS  39           3HD      LYS  39  -8.930  -6.125  -6.922
  318    HE2  LYS  39           2HE      LYS  39  -9.755  -7.402  -8.801
  319    HE3  LYS  39           3HE      LYS  39  -8.910  -5.985  -9.413
  320    HZ1  LYS  39           3HZ      LYS  39  -8.428  -8.007 -10.662
  321    HZ2  LYS  39           1HZ      LYS  39  -7.768  -8.723  -9.286
  322    HZ3  LYS  39           2HZ      LYS  39  -7.035  -7.362  -9.972
  323    H    ASN  40           H        ASN  40  -4.964  -3.475  -7.514
  324    HA   ASN  40           HA       ASN  40  -5.092  -2.396 -10.113
  325    HB2  ASN  40           2HB      ASN  40  -4.417  -0.980  -7.494
  326    HB3  ASN  40           3HB      ASN  40  -4.771  -0.142  -9.002
  327   HD21  ASN  40          1HD2      ASN  40  -6.162   0.024  -6.470
  328   HD22  ASN  40          2HD2      ASN  40  -7.792  -0.449  -6.775
  329    H    LEU  41           H        LEU  41  -2.405  -2.513  -7.804
  330    HA   LEU  41           HA       LEU  41  -0.512  -1.227  -9.664
  331    HB2  LEU  41           2HB      LEU  41  -0.220  -2.071  -6.755
  332    HB3  LEU  41           3HB      LEU  41   0.985  -1.177  -7.674
  333    HG   LEU  41           HG       LEU  41  -1.797  -0.170  -6.950
  334   HD11  LEU  41          1HD1      LEU  41  -0.663   1.428  -5.486
  335   HD12  LEU  41          2HD1      LEU  41   0.895   0.692  -5.866
  336   HD13  LEU  41          3HD1      LEU  41  -0.333  -0.236  -5.003
  337   HD21  LEU  41          3HD2      LEU  41  -1.103   1.978  -7.902
  338   HD22  LEU  41          1HD2      LEU  41  -1.085   0.708  -9.123
  339   HD23  LEU  41          2HD2      LEU  41   0.432   1.275  -8.418
  340    H    LYS  42           H        LYS  42  -1.561  -4.308  -9.355
  341    HA   LYS  42           HA       LYS  42  -0.851  -6.375  -9.778
  342    HB2  LYS  42           2HB      LYS  42   1.309  -4.818 -11.228
  343    HB3  LYS  42           3HB      LYS  42   1.274  -6.573 -11.266
  344    HG2  LYS  42           2HG      LYS  42   0.249  -5.666 -13.274
  345    HG3  LYS  42           3HG      LYS  42  -0.950  -6.525 -12.322
  346    HD2  LYS  42           2HD      LYS  42  -1.806  -4.347 -11.472
  347    HD3  LYS  42           3HD      LYS  42  -0.608  -3.502 -12.452
  348    HE2  LYS  42           2HE      LYS  42  -1.662  -4.335 -14.494
  349    HE3  LYS  42           3HE      LYS  42  -2.818  -5.272 -13.544
  350    HZ1  LYS  42           3HZ      LYS  42  -2.568  -2.319 -13.440
  351    HZ2  LYS  42           1HZ      LYS  42  -3.741  -3.263 -12.674
  352    HZ3  LYS  42           2HZ      LYS  42  -3.710  -3.155 -14.360
  353    H    LEU  43           H        LEU  43   0.227  -4.883  -7.348
  354    HA   LEU  43           HA       LEU  43   2.547  -6.443  -6.499
  355    HB2  LEU  43           2HB      LEU  43   0.747  -4.475  -5.029
  356    HB3  LEU  43           3HB      LEU  43   2.083  -5.311  -4.252
  357    HG   LEU  43           HG       LEU  43   2.329  -3.326  -6.541
  358   HD11  LEU  43          1HD1      LEU  43   3.056  -3.019  -3.613
  359   HD12  LEU  43          2HD1      LEU  43   1.710  -2.233  -4.441
  360   HD13  LEU  43          3HD1      LEU  43   3.368  -1.839  -4.890
  361   HD21  LEU  43          3HD2      LEU  43   4.074  -5.021  -6.699
  362   HD22  LEU  43          1HD2      LEU  43   4.493  -4.795  -4.995
  363   HD23  LEU  43          2HD2      LEU  43   4.763  -3.494  -6.157
  364    H    THR  44           H        THR  44   2.290  -7.474  -4.208
  365    HA   THR  44           HA       THR  44  -0.192  -9.089  -4.035
  366    HB   THR  44           HB       THR  44   1.025 -10.673  -2.642
  367    HG1  THR  44           HG1      THR  44   3.487 -10.102  -2.576
  368   HG21  THR  44          3HG2      THR  44   2.750 -11.497  -4.198
  369   HG22  THR  44          1HG2      THR  44   2.729  -9.948  -5.048
  370   HG23  THR  44          2HG2      THR  44   1.303 -10.988  -5.073
  371    H    GLU  45           H        GLU  45  -1.168  -9.339  -1.913
  372    HA   GLU  45           HA       GLU  45  -1.421  -7.042  -0.311
  373    HB2  GLU  45           2HB      GLU  45  -2.001  -9.955   0.353
  374    HB3  GLU  45           3HB      GLU  45  -2.444  -8.614   1.407
  375    HG2  GLU  45           2HG      GLU  45  -3.811  -7.671  -0.476
  376    HG3  GLU  45           3HG      GLU  45  -3.478  -9.143  -1.391
  377    H    THR  46           H        THR  46   0.896  -9.688  -0.098
  378    HA   THR  46           HA       THR  46   1.964  -9.163   2.472
  379    HB   THR  46           HB       THR  46   3.382 -10.378   0.052
  380    HG1  THR  46           HG1      THR  46   2.681 -12.380   1.077
  381   HG21  THR  46          3HG2      THR  46   4.780 -11.548   1.727
  382   HG22  THR  46          1HG2      THR  46   3.946 -10.702   3.027
  383   HG23  THR  46          2HG2      THR  46   4.947  -9.798   1.889
  384    H    GLN  47           H        GLN  47   3.093  -8.166  -0.803
  385    HA   GLN  47           HA       GLN  47   5.280  -6.569  -0.076
  386    HB2  GLN  47           2HB      GLN  47   3.445  -6.353  -2.499
  387    HB3  GLN  47           3HB      GLN  47   4.949  -5.450  -2.334
  388    HG2  GLN  47           2HG      GLN  47   6.219  -7.556  -2.276
  389    HG3  GLN  47           3HG      GLN  47   4.720  -8.474  -2.426
  390   HE21  GLN  47          1HE2      GLN  47   6.954  -6.359  -4.088
  391   HE22  GLN  47          2HE2      GLN  47   6.382  -6.699  -5.679
  392    H    VAL  48           H        VAL  48   1.912  -5.571  -0.737
  393    HA   VAL  48           HA       VAL  48   2.165  -2.806  -0.345
  394    HB   VAL  48           HB       VAL  48  -0.267  -4.608   0.080
  395   HG11  VAL  48          1HG1      VAL  48  -0.209  -1.573  -0.178
  396   HG12  VAL  48          2HG1      VAL  48  -0.650  -2.491   1.262
  397   HG13  VAL  48          3HG1      VAL  48  -1.667  -2.569  -0.175
  398   HG21  VAL  48          3HG2      VAL  48  -0.938  -3.875  -2.190
  399   HG22  VAL  48          1HG2      VAL  48   0.631  -4.681  -2.217
  400   HG23  VAL  48          2HG2      VAL  48   0.543  -2.923  -2.328
  401    H    LYS  49           H        LYS  49   1.333  -5.381   2.007
  402    HA   LYS  49           HA       LYS  49   0.864  -3.627   4.214
  403    HB2  LYS  49           2HB      LYS  49  -0.034  -5.990   3.945
  404    HB3  LYS  49           3HB      LYS  49   1.572  -6.588   4.349
  405    HG2  LYS  49           2HG      LYS  49   1.408  -5.501   6.568
  406    HG3  LYS  49           3HG      LYS  49  -0.187  -4.887   6.153
  407    HD2  LYS  49           2HD      LYS  49  -0.448  -6.820   7.584
  408    HD3  LYS  49           3HD      LYS  49  -1.014  -7.237   5.971
  409    HE2  LYS  49           2HE      LYS  49   1.755  -7.953   6.979
  410    HE3  LYS  49           3HE      LYS  49   0.368  -9.014   7.170
  411    HZ1  LYS  49           3HZ      LYS  49   1.728  -8.205   4.690
  412    HZ2  LYS  49           1HZ      LYS  49   0.146  -8.792   4.664
  413    HZ3  LYS  49           2HZ      LYS  49   1.389  -9.751   5.260
  414    H    ILE  50           H        ILE  50   3.761  -5.404   3.101
  415    HA   ILE  50           HA       ILE  50   5.512  -4.792   5.244
  416    HB   ILE  50           HB       ILE  50   6.114  -5.343   2.296
  417   HG12  ILE  50          2HG1      ILE  50   6.526  -7.101   4.767
  418   HG13  ILE  50          3HG1      ILE  50   5.158  -7.223   3.671
  419   HG21  ILE  50          1HG2      ILE  50   8.141  -5.093   4.562
  420   HG22  ILE  50          2HG2      ILE  50   7.971  -3.992   3.196
  421   HG23  ILE  50          3HG2      ILE  50   8.505  -5.650   2.926
  422   HD11  ILE  50          3HD1      ILE  50   6.748  -8.952   3.221
  423   HD12  ILE  50          1HD1      ILE  50   8.038  -7.771   2.985
  424   HD13  ILE  50          2HD1      ILE  50   6.682  -7.841   1.853
  425    H    TRP  51           H        TRP  51   4.841  -3.064   2.181
  426    HA   TRP  51           HA       TRP  51   6.587  -0.902   2.489
  427    HB2  TRP  51           2HB      TRP  51   5.406  -1.416   0.366
  428    HB3  TRP  51           3HB      TRP  51   3.877  -0.944   1.089
  429    HD1  TRP  51           HD1      TRP  51   7.059   0.592  -0.427
  430    HE1  TRP  51           HE1      TRP  51   6.684   3.084  -0.822
  431    HE3  TRP  51           HE3      TRP  51   2.627   1.129   2.001
  432    HZ2  TRP  51           HZ2      TRP  51   4.793   5.040  -0.163
  433    HZ3  TRP  51           HZ3      TRP  51   1.602   3.352   2.102
  434    HH2  TRP  51           HH2      TRP  51   2.667   5.274   1.040
  435    H    PHE  52           H        PHE  52   3.063  -0.973   3.294
  436    HA   PHE  52           HA       PHE  52   2.818   1.463   4.602
  437    HB2  PHE  52           2HB      PHE  52   1.299  -1.142   4.818
  438    HB3  PHE  52           3HB      PHE  52   0.940   0.120   5.988
  439    HD1  PHE  52           HD1      PHE  52   1.041  -0.538   2.284
  440    HD2  PHE  52           HD2      PHE  52  -0.530   1.903   5.414
  441    HE1  PHE  52           HE1      PHE  52  -0.444   0.569   0.676
  442    HE2  PHE  52           HE2      PHE  52  -2.011   3.009   3.803
  443    HZ   PHE  52           HZ       PHE  52  -1.974   2.350   1.427
  444    H    GLN  53           H        GLN  53   3.893  -1.633   5.972
  445    HA   GLN  53           HA       GLN  53   4.165  -0.896   8.679
  446    HB2  GLN  53           2HB      GLN  53   4.210  -3.223   7.954
  447    HB3  GLN  53           3HB      GLN  53   5.667  -2.950   7.014
  448    HG2  GLN  53           2HG      GLN  53   6.909  -2.505   9.144
  449    HG3  GLN  53           3HG      GLN  53   5.442  -2.910  10.042
  450   HE21  GLN  53          1HE2      GLN  53   6.527  -4.585   7.120
  451   HE22  GLN  53          2HE2      GLN  53   6.881  -6.077   7.904
  452    H    ASN  54           H        ASN  54   6.650  -0.895   6.077
  453    HA   ASN  54           HA       ASN  54   8.852   0.034   7.558
  454    HB2  ASN  54           2HB      ASN  54   8.309   0.570   4.607
  455    HB3  ASN  54           3HB      ASN  54   9.881   0.627   5.398
  456   HD21  ASN  54          1HD2      ASN  54   9.017  -0.942   3.116
  457   HD22  ASN  54          2HD2      ASN  54   9.257  -2.597   3.540
  458    H    ARG  55           H        ARG  55   6.538   1.777   5.547
  459    HA   ARG  55           HA       ARG  55   7.503   4.389   5.839
  460    HB2  ARG  55           2HB      ARG  55   4.679   3.418   5.264
  461    HB3  ARG  55           3HB      ARG  55   5.241   5.069   5.007
  462    HG2  ARG  55           2HG      ARG  55   6.667   2.776   3.667
  463    HG3  ARG  55           3HG      ARG  55   5.142   3.355   3.008
  464    HD2  ARG  55           2HD      ARG  55   7.278   4.286   1.982
  465    HD3  ARG  55           3HD      ARG  55   6.038   5.456   2.454
  466    HE   ARG  55           HE       ARG  55   7.457   5.776   4.545
  467   HH11  ARG  55          1HH1      ARG  55   8.899   4.962   1.498
  468   HH12  ARG  55          2HH1      ARG  55  10.372   5.774   1.877
  469   HH21  ARG  55          1HH2      ARG  55   9.320   6.797   4.980
  470   HH22  ARG  55          2HH2      ARG  55  10.611   6.804   3.829
  471    H    ARG  56           H        ARG  56   5.294   2.515   7.886
  472    HA   ARG  56           HA       ARG  56   4.404   4.616   9.581
  473    HB2  ARG  56           2HB      ARG  56   4.517   1.609   9.761
  474    HB3  ARG  56           3HB      ARG  56   4.152   2.516  11.222
  475    HG2  ARG  56           2HG      ARG  56   2.575   2.695   8.637
  476    HG3  ARG  56           3HG      ARG  56   2.137   1.710  10.039
  477    HD2  ARG  56           2HD      ARG  56   2.319   4.734   9.906
  478    HD3  ARG  56           3HD      ARG  56   0.876   3.750  10.140
  479    HE   ARG  56           HE       ARG  56   3.060   3.823  12.126
  480   HH11  ARG  56          1HH1      ARG  56  -0.346   4.043  11.471
  481   HH12  ARG  56          2HH1      ARG  56  -0.735   4.212  13.143
  482   HH21  ARG  56          1HH2      ARG  56   2.508   4.028  14.216
  483   HH22  ARG  56          2HH2      ARG  56   0.847   4.184  14.670
  484    H    TYR  57           H        TYR  57   7.056   2.256   9.892
  485    HA   TYR  57           HA       TYR  57   8.147   3.288  12.302
  486    HB2  TYR  57           2HB      TYR  57   8.577   0.995  11.407
  487    HB3  TYR  57           3HB      TYR  57   9.526   1.696  10.102
  488    HD1  TYR  57           HD1      TYR  57   9.379   1.699  13.868
  489    HD2  TYR  57           HD2      TYR  57  11.874   1.800  10.401
  490    HE1  TYR  57           HE1      TYR  57  11.368   1.566  15.293
  491    HE2  TYR  57           HE2      TYR  57  13.859   1.666  11.827
  492    HH   TYR  57           HH       TYR  57  13.776   0.735  15.015
  493    H    LYS  58           H        LYS  58   8.409   4.283   8.986
  494    HA   LYS  58           HA       LYS  58  10.776   5.974   9.408
  495    HB2  LYS  58           2HB      LYS  58   9.173   5.220   6.952
  496    HB3  LYS  58           3HB      LYS  58  10.426   6.457   6.905
  497    HG2  LYS  58           2HG      LYS  58  12.139   4.888   7.454
  498    HG3  LYS  58           3HG      LYS  58  10.964   3.644   7.886
  499    HD2  LYS  58           2HD      LYS  58  10.312   3.367   5.563
  500    HD3  LYS  58           3HD      LYS  58  11.307   4.743   5.069
  501    HE2  LYS  58           2HE      LYS  58  12.334   2.483   4.595
  502    HE3  LYS  58           3HE      LYS  58  13.342   3.554   5.570
  503    HZ1  LYS  58           3HZ      LYS  58  13.332   1.301   6.431
  504    HZ2  LYS  58           1HZ      LYS  58  11.654   1.345   6.632
  505    HZ3  LYS  58           2HZ      LYS  58  12.643   2.362   7.553
  506    H    THR  59           H        THR  59   7.342   6.358   9.642
  507    HA   THR  59           HA       THR  59   7.016   9.069   8.905
  508    HB   THR  59           HB       THR  59   5.098   9.217  10.486
  509    HG1  THR  59           HG1      THR  59   6.334   7.008  11.626
  510   HG21  THR  59          3HG2      THR  59   5.064   6.541   9.075
  511   HG22  THR  59          1HG2      THR  59   4.687   8.092   8.318
  512   HG23  THR  59          2HG2      THR  59   3.662   7.463   9.609
  513    H    LYS  60           H        LYS  60   6.485  10.837  10.556
  514    HA   LYS  60           HA       LYS  60   8.756  11.424  12.215
  515    HB2  LYS  60           2HB      LYS  60   7.379  13.059  10.831
  516    HB3  LYS  60           3HB      LYS  60   6.121  12.930  12.048
  517    HG2  LYS  60           2HG      LYS  60   7.579  13.935  13.730
  518    HG3  LYS  60           3HG      LYS  60   8.943  13.910  12.609
  519    HD2  LYS  60           2HD      LYS  60   8.040  16.167  12.728
  520    HD3  LYS  60           3HD      LYS  60   7.737  15.500  11.123
  521    HE2  LYS  60           2HE      LYS  60   5.754  16.688  11.872
  522    HE3  LYS  60           3HE      LYS  60   5.394  14.960  11.847
  523    HZ1  LYS  60           3HZ      LYS  60   4.551  15.976  13.850
  524    HZ2  LYS  60           1HZ      LYS  60   6.083  16.568  14.248
  525    HZ3  LYS  60           2HZ      LYS  60   5.795  14.905  14.247
  526    H    ARG  61           H        ARG  61   6.168   9.419  12.828
  527    HA   ARG  61           HA       ARG  61   6.306   9.820  15.768
  528    HB2  ARG  61           2HB      ARG  61   4.043  10.274  14.793
  529    HB3  ARG  61           3HB      ARG  61   4.005   8.632  14.158
  530    HG2  ARG  61           2HG      ARG  61   4.078   7.745  16.483
  531    HG3  ARG  61           3HG      ARG  61   4.101   9.398  17.098
  532    HD2  ARG  61           2HD      ARG  61   1.861   8.127  15.495
  533    HD3  ARG  61           3HD      ARG  61   1.844   8.427  17.236
  534    HE   ARG  61           HE       ARG  61   2.314  10.850  15.861
  535   HH11  ARG  61          1HH1      ARG  61  -0.299   8.635  16.451
  536   HH12  ARG  61          2HH1      ARG  61  -1.500   9.861  16.239
  537   HH21  ARG  61          1HH2      ARG  61   0.749  12.365  15.601
  538   HH22  ARG  61          2HH2      ARG  61  -0.916  11.933  15.769
  539    H    LYS  62           H        LYS  62   7.172   8.157  16.900
  540    HA   LYS  62           HA       LYS  62   7.909   5.644  15.563
  541    HB2  LYS  62           2HB      LYS  62   9.577   6.964  16.914
  542    HB3  LYS  62           3HB      LYS  62   8.625   6.637  18.356
  543    HG2  LYS  62           2HG      LYS  62   9.052   4.208  18.089
  544    HG3  LYS  62           3HG      LYS  62  10.003   4.536  16.640
  545    HD2  LYS  62           2HD      LYS  62  10.660   5.483  19.452
  546    HD3  LYS  62           3HD      LYS  62  11.434   4.142  18.611
  547    HE2  LYS  62           2HE      LYS  62  11.544   7.066  17.780
  548    HE3  LYS  62           3HE      LYS  62  12.842   6.154  18.546
  549    HZ1  LYS  62           3HZ      LYS  62  13.097   6.388  16.128
  550    HZ2  LYS  62           1HZ      LYS  62  11.678   5.506  15.898
  551    HZ3  LYS  62           2HZ      LYS  62  13.019   4.773  16.609
  552    H    GLN  63           H        GLN  63   7.511   3.545  16.595
  553    HA   GLN  63           HA       GLN  63   5.150   3.372  18.393
  554    HB2  GLN  63           2HB      GLN  63   4.335   1.441  17.046
  555    HB3  GLN  63           3HB      GLN  63   4.374   2.940  16.123
  556    HG2  GLN  63           2HG      GLN  63   6.463   2.229  15.018
  557    HG3  GLN  63           3HG      GLN  63   6.456   0.734  15.953
  558   HE21  GLN  63          1HE2      GLN  63   4.916   2.471  13.347
  559   HE22  GLN  63          2HE2      GLN  63   4.057   1.122  12.698
  560    H    LEU  64           H        LEU  64   4.905   1.017  19.226
  561    HA   LEU  64           HA       LEU  64   7.084   0.317  20.843
  562    HB2  LEU  64           2HB      LEU  64   4.795  -0.231  21.459
  563    HB3  LEU  64           3HB      LEU  64   4.616  -1.269  20.056
  564    HG   LEU  64           HG       LEU  64   6.245  -2.887  21.043
  565   HD11  LEU  64          1HD1      LEU  64   7.599  -1.352  22.379
  566   HD12  LEU  64          2HD1      LEU  64   7.005  -2.690  23.359
  567   HD13  LEU  64          3HD1      LEU  64   6.252  -1.096  23.487
  568   HD21  LEU  64          3HD2      LEU  64   4.797  -3.787  22.793
  569   HD22  LEU  64          1HD2      LEU  64   3.839  -3.195  21.435
  570   HD23  LEU  64          2HD2      LEU  64   3.947  -2.244  22.917
  571    H    SER  65           H        SER  65   5.998  -1.163  17.767
  572    HA   SER  65           HA       SER  65   8.073  -3.165  17.722
  573    HB2  SER  65           2HB      SER  65   5.965  -3.561  16.530
  574    HB3  SER  65           3HB      SER  65   6.262  -2.172  15.488
  575    HG   SER  65           HG       SER  65   7.011  -3.812  14.309
  576    H    SER  66           H        SER  66  10.045  -3.111  16.702
  577    HA   SER  66           HA       SER  66  10.898  -0.596  15.369
  578    HB2  SER  66           2HB      SER  66  12.062  -0.845  17.502
  579    HB3  SER  66           3HB      SER  66  12.549  -2.489  17.089
  580    HG   SER  66           HG       SER  66  14.274  -1.237  16.594
  581    H    GLU  67           H        GLU  67  10.548  -1.186  13.247
  582    HA   GLU  67           HA       GLU  67  11.602  -3.694  12.182
  583    HB2  GLU  67           2HB      GLU  67   9.397  -2.448  11.466
  584    HB3  GLU  67           3HB      GLU  67  10.457  -1.448  10.489
  585    HG2  GLU  67           2HG      GLU  67  10.210  -4.469  10.253
  586    HG3  GLU  67           3HG      GLU  67   9.361  -3.308   9.237
  587    H    LEU  68           H        LEU  68  13.776  -3.119  12.957
  588    HA   LEU  68           HA       LEU  68  15.566  -2.399  10.879
  589    HB2  LEU  68           2HB      LEU  68  14.791  -0.093  11.551
  590    HB3  LEU  68           3HB      LEU  68  15.407  -0.383  13.165
  591    HG   LEU  68           HG       LEU  68  17.732  -0.459  12.279
  592   HD11  LEU  68          1HD1      LEU  68  18.245   0.146   9.965
  593   HD12  LEU  68          2HD1      LEU  68  16.526   0.160   9.564
  594   HD13  LEU  68          3HD1      LEU  68  17.312  -1.345  10.044
  595   HD21  LEU  68          3HD2      LEU  68  16.250   2.042  11.394
  596   HD22  LEU  68          1HD2      LEU  68  17.978   1.914  11.741
  597   HD23  LEU  68          2HD2      LEU  68  16.801   1.694  13.034
  598    H    GLY  69           H        GLY  69  17.833  -2.755  11.564
  599    HA2  GLY  69           2HA      GLY  69  18.033  -4.666  13.792
  600    HA3  GLY  69           3HA      GLY  69  19.208  -4.424  12.508
  Start of MODEL   13
    1    H1   MET   1           1H       MET   1  30.971 -17.790   7.867
    2    H2   MET   1           2H       MET   1  31.230 -17.768   9.538
    3    H3   MET   1           3H       MET   1  31.554 -16.388   8.616
    4    HA   MET   1           HA       MET   1  28.878 -17.604   8.966
    5    HB2  MET   1           2HB      MET   1  28.377 -15.713  10.474
    6    HB3  MET   1           3HB      MET   1  29.723 -16.656  11.095
    7    HG2  MET   1           2HG      MET   1  31.299 -14.960  10.531
    8    HG3  MET   1           3HG      MET   1  30.145 -14.121   9.496
    9    HE1  MET   1           3HE      MET   1  31.756 -12.356  11.385
   10    HE2  MET   1           1HE      MET   1  30.513 -11.408  12.197
   11    HE3  MET   1           2HE      MET   1  30.371 -11.746  10.473
   12    H    GLY   2           H        GLY   2  30.310 -16.660   6.461
   13    HA2  GLY   2           2HA      GLY   2  29.491 -13.994   5.810
   14    HA3  GLY   2           3HA      GLY   2  30.165 -15.180   4.712
   15    H    HIS   3           H        HIS   3  27.127 -14.290   6.348
   16    HA   HIS   3           HA       HIS   3  25.402 -15.666   4.499
   17    HB2  HIS   3           2HB      HIS   3  24.772 -13.546   6.593
   18    HB3  HIS   3           3HB      HIS   3  23.565 -14.471   5.705
   19    HD1  HIS   3           HD1      HIS   3  25.920 -14.683   8.590
   20    HD2  HIS   3           HD2      HIS   3  23.316 -17.199   6.544
   21    HE1  HIS   3           HE1      HIS   3  25.605 -16.681  10.066
   22    HE2  HIS   3           HE2      HIS   3  23.868 -18.076   8.908
   23    H    HIS   4           H        HIS   4  25.066 -14.944   2.472
   24    HA   HIS   4           HA       HIS   4  25.685 -12.319   1.523
   25    HB2  HIS   4           2HB      HIS   4  24.033 -14.495   0.172
   26    HB3  HIS   4           3HB      HIS   4  24.779 -13.113  -0.627
   27    HD1  HIS   4           HD1      HIS   4  25.513 -16.522   0.671
   28    HD2  HIS   4           HD2      HIS   4  27.631 -13.299  -0.885
   29    HE1  HIS   4           HE1      HIS   4  27.811 -17.396   0.193
   30    HE2  HIS   4           HE2      HIS   4  29.110 -15.397  -0.603
   31    H    HIS   5           H        HIS   5  24.460 -10.522   1.754
   32    HA   HIS   5           HA       HIS   5  21.912 -10.488   2.958
   33    HB2  HIS   5           2HB      HIS   5  21.869  -8.040   2.422
   34    HB3  HIS   5           3HB      HIS   5  23.349  -8.559   3.206
   35    HD1  HIS   5           HD1      HIS   5  25.547  -8.375   1.857
   36    HD2  HIS   5           HD2      HIS   5  22.200  -7.062  -0.217
   37    HE1  HIS   5           HE1      HIS   5  26.427  -7.049  -0.076
   38    HE2  HIS   5           HE2      HIS   5  24.385  -6.097  -1.181
   39    H    HIS   6           H        HIS   6  19.983 -11.009   2.118
   40    HA   HIS   6           HA       HIS   6  19.485 -11.389  -0.668
   41    HB2  HIS   6           2HB      HIS   6  18.314 -12.643   1.200
   42    HB3  HIS   6           3HB      HIS   6  17.427 -11.173   1.589
   43    HD1  HIS   6           HD1      HIS   6  17.484 -14.048  -0.731
   44    HD2  HIS   6           HD2      HIS   6  15.461 -10.434  -0.411
   45    HE1  HIS   6           HE1      HIS   6  15.563 -14.208  -2.323
   46    HE2  HIS   6           HE2      HIS   6  14.490 -11.939  -2.268
   47    H    HIS   7           H        HIS   7  19.414  -9.646  -2.035
   48    HA   HIS   7           HA       HIS   7  18.657  -7.012  -1.247
   49    HB2  HIS   7           2HB      HIS   7  18.724  -6.460  -3.709
   50    HB3  HIS   7           3HB      HIS   7  20.198  -7.152  -3.071
   51    HD1  HIS   7           HD1      HIS   7  20.858  -9.546  -3.919
   52    HD2  HIS   7           HD2      HIS   7  17.509  -7.926  -5.762
   53    HE1  HIS   7           HE1      HIS   7  20.512 -10.900  -5.993
   54    HE2  HIS   7           HE2      HIS   7  18.366 -10.027  -6.979
   55    H    HIS   8           H        HIS   8  16.684  -6.961  -0.348
   56    HA   HIS   8           HA       HIS   8  14.332  -8.238  -1.337
   57    HB2  HIS   8           2HB      HIS   8  14.796  -7.634   1.078
   58    HB3  HIS   8           3HB      HIS   8  14.533  -5.946   0.663
   59    HD1  HIS   8           HD1      HIS   8  12.005  -5.421  -0.276
   60    HD2  HIS   8           HD2      HIS   8  12.524  -8.985   1.795
   61    HE1  HIS   8           HE1      HIS   8   9.712  -6.139   0.409
   62    HE2  HIS   8           HE2      HIS   8  10.084  -8.157   1.853
   63    H    SER   9           H        SER   9  12.752  -7.458  -2.663
   64    HA   SER   9           HA       SER   9  13.365  -5.332  -4.438
   65    HB2  SER   9           2HB      SER   9  11.230  -5.858  -5.542
   66    HB3  SER   9           3HB      SER   9  12.108  -7.338  -5.159
   67    HG   SER   9           HG       SER   9   9.736  -7.164  -4.648
   68    H    HIS  10           H        HIS  10  12.800  -3.235  -4.456
   69    HA   HIS  10           HA       HIS  10  10.725  -2.198  -2.627
   70    HB2  HIS  10           2HB      HIS  10  12.861  -0.822  -4.307
   71    HB3  HIS  10           3HB      HIS  10  11.581   0.070  -3.496
   72    HD1  HIS  10           HD1      HIS  10  11.545  -0.225  -0.793
   73    HD2  HIS  10           HD2      HIS  10  15.077  -1.265  -2.708
   74    HE1  HIS  10           HE1      HIS  10  13.307  -0.183   0.984
   75    HE2  HIS  10           HE2      HIS  10  15.396  -0.974  -0.165
   76    H    MET  11           H        MET  11   8.967  -1.017  -3.399
   77    HA   MET  11           HA       MET  11   7.787  -1.710  -5.857
   78    HB2  MET  11           2HB      MET  11   7.094   0.503  -3.888
   79    HB3  MET  11           3HB      MET  11   6.064   0.025  -5.237
   80    HG2  MET  11           2HG      MET  11   5.272  -1.016  -3.191
   81    HG3  MET  11           3HG      MET  11   5.891  -2.249  -4.294
   82    HE1  MET  11           3HE      MET  11   5.417  -3.167  -1.418
   83    HE2  MET  11           1HE      MET  11   6.950  -3.916  -0.979
   84    HE3  MET  11           2HE      MET  11   6.280  -4.162  -2.592
   85    H    SER  12           H        SER  12   7.005  -0.186  -7.554
   86    HA   SER  12           HA       SER  12   9.254   1.185  -8.780
   87    HB2  SER  12           2HB      SER  12   6.368   0.921  -9.728
   88    HB3  SER  12           3HB      SER  12   7.720   1.481 -10.713
   89    HG   SER  12           HG       SER  12   7.039  -0.821 -10.863
   90    H    HIS  13           H        HIS  13   9.114   3.454  -9.630
   91    HA   HIS  13           HA       HIS  13   8.768   5.230  -7.501
   92    HB2  HIS  13           2HB      HIS  13  10.357   5.586  -9.394
   93    HB3  HIS  13           3HB      HIS  13   8.997   5.979 -10.439
   94    HD1  HIS  13           HD1      HIS  13  11.008   7.347  -7.566
   95    HD2  HIS  13           HD2      HIS  13   7.986   8.590 -10.137
   96    HE1  HIS  13           HE1      HIS  13  10.805   9.821  -7.229
   97    HE2  HIS  13           HE2      HIS  13   8.808  10.487  -8.601
   98    H    THR  14           H        THR  14   6.804   5.231 -10.544
   99    HA   THR  14           HA       THR  14   4.851   7.086  -9.690
  100    HB   THR  14           HB       THR  14   4.489   4.881 -11.779
  101    HG1  THR  14           HG1      THR  14   5.123   6.702 -13.206
  102   HG21  THR  14          3HG2      THR  14   3.109   7.586 -11.524
  103   HG22  THR  14          1HG2      THR  14   2.358   6.017 -11.205
  104   HG23  THR  14          2HG2      THR  14   2.881   6.430 -12.837
  105    H    GLN  15           H        GLN  15   5.144   3.652  -9.143
  106    HA   GLN  15           HA       GLN  15   2.475   3.115  -8.250
  107    HB2  GLN  15           2HB      GLN  15   3.957   1.371  -9.158
  108    HB3  GLN  15           3HB      GLN  15   5.078   1.607  -7.820
  109    HG2  GLN  15           2HG      GLN  15   3.325   0.809  -6.249
  110    HG3  GLN  15           3HG      GLN  15   2.250   0.532  -7.620
  111   HE21  GLN  15          1HE2      GLN  15   2.764  -1.150  -9.097
  112   HE22  GLN  15          2HE2      GLN  15   3.819  -2.437  -8.647
  113    H    VAL  16           H        VAL  16   5.522   3.940  -6.575
  114    HA   VAL  16           HA       VAL  16   4.574   3.744  -3.909
  115    HB   VAL  16           HB       VAL  16   6.910   5.346  -5.058
  116   HG11  VAL  16          1HG1      VAL  16   6.257   6.396  -2.935
  117   HG12  VAL  16          2HG1      VAL  16   7.794   5.553  -2.752
  118   HG13  VAL  16          3HG1      VAL  16   6.310   4.833  -2.117
  119   HG21  VAL  16          3HG2      VAL  16   7.124   2.894  -5.275
  120   HG22  VAL  16          1HG2      VAL  16   6.887   2.709  -3.536
  121   HG23  VAL  16          2HG2      VAL  16   8.321   3.538  -4.154
  122    H    ILE  17           H        ILE  17   4.544   6.390  -6.285
  123    HA   ILE  17           HA       ILE  17   3.413   8.453  -4.772
  124    HB   ILE  17           HB       ILE  17   2.852   7.731  -7.687
  125   HG12  ILE  17          2HG1      ILE  17   4.813   9.759  -6.511
  126   HG13  ILE  17          3HG1      ILE  17   5.250   8.197  -7.192
  127   HG21  ILE  17          1HG2      ILE  17   1.067   9.195  -6.848
  128   HG22  ILE  17          2HG2      ILE  17   2.084  10.065  -7.994
  129   HG23  ILE  17          3HG2      ILE  17   2.264  10.351  -6.261
  130   HD11  ILE  17          3HD1      ILE  17   5.730   9.970  -8.744
  131   HD12  ILE  17          1HD1      ILE  17   4.055  10.524  -8.696
  132   HD13  ILE  17          2HD1      ILE  17   4.448   8.947  -9.389
  133    H    GLU  18           H        GLU  18   1.737   5.848  -6.582
  134    HA   GLU  18           HA       GLU  18  -0.925   6.489  -5.890
  135    HB2  GLU  18           2HB      GLU  18   0.268   3.785  -6.612
  136    HB3  GLU  18           3HB      GLU  18  -1.451   4.171  -6.631
  137    HG2  GLU  18           2HG      GLU  18   0.645   5.500  -8.374
  138    HG3  GLU  18           3HG      GLU  18  -0.372   4.156  -8.886
  139    H    LEU  19           H        LEU  19   1.371   4.252  -4.394
  140    HA   LEU  19           HA       LEU  19  -0.187   3.203  -2.308
  141    HB2  LEU  19           2HB      LEU  19   2.793   3.638  -2.656
  142    HB3  LEU  19           3HB      LEU  19   2.151   2.876  -1.215
  143    HG   LEU  19           HG       LEU  19   1.574   1.725  -3.963
  144   HD11  LEU  19          1HD1      LEU  19   3.488   0.206  -3.699
  145   HD12  LEU  19          2HD1      LEU  19   3.990   1.077  -2.247
  146   HD13  LEU  19          3HD1      LEU  19   4.008   1.887  -3.814
  147   HD21  LEU  19          3HD2      LEU  19   0.206   0.901  -2.086
  148   HD22  LEU  19          1HD2      LEU  19   1.671   0.439  -1.213
  149   HD23  LEU  19          2HD2      LEU  19   1.248  -0.363  -2.730
  150    H    GLU  20           H        GLU  20   1.722   6.219  -2.509
  151    HA   GLU  20           HA       GLU  20   1.332   6.957   0.258
  152    HB2  GLU  20           2HB      GLU  20   2.507   8.453  -2.096
  153    HB3  GLU  20           3HB      GLU  20   2.299   9.211  -0.518
  154    HG2  GLU  20           2HG      GLU  20   3.712   7.406   0.477
  155    HG3  GLU  20           3HG      GLU  20   4.003   6.789  -1.152
  156    H    ARG  21           H        ARG  21  -0.326   7.747  -2.774
  157    HA   ARG  21           HA       ARG  21  -2.049   9.767  -1.841
  158    HB2  ARG  21           2HB      ARG  21  -2.572   7.600  -3.922
  159    HB3  ARG  21           3HB      ARG  21  -3.609   9.006  -3.675
  160    HG2  ARG  21           2HG      ARG  21  -1.793  10.504  -4.345
  161    HG3  ARG  21           3HG      ARG  21  -0.687   9.140  -4.492
  162    HD2  ARG  21           2HD      ARG  21  -1.419   9.773  -6.703
  163    HD3  ARG  21           3HD      ARG  21  -2.139   8.210  -6.304
  164    HE   ARG  21           HE       ARG  21  -3.888  10.364  -5.651
  165   HH11  ARG  21          1HH1      ARG  21  -2.792   8.480  -8.381
  166   HH12  ARG  21          2HH1      ARG  21  -4.201   8.851  -9.315
  167   HH21  ARG  21          1HH2      ARG  21  -5.660  10.802  -6.886
  168   HH22  ARG  21          2HH2      ARG  21  -5.799  10.148  -8.478
  169    H    LYS  22           H        LYS  22  -2.150   6.275  -1.500
  170    HA   LYS  22           HA       LYS  22  -4.655   6.155  -0.067
  171    HB2  LYS  22           2HB      LYS  22  -3.784   4.285  -1.482
  172    HB3  LYS  22           3HB      LYS  22  -2.428   4.091  -0.382
  173    HG2  LYS  22           2HG      LYS  22  -4.126   2.371  -0.001
  174    HG3  LYS  22           3HG      LYS  22  -3.944   3.404   1.417
  175    HD2  LYS  22           2HD      LYS  22  -6.312   2.896   0.976
  176    HD3  LYS  22           3HD      LYS  22  -6.000   4.626   0.827
  177    HE2  LYS  22           2HE      LYS  22  -5.990   4.429  -1.622
  178    HE3  LYS  22           3HE      LYS  22  -6.208   2.680  -1.500
  179    HZ1  LYS  22           3HZ      LYS  22  -8.145   4.720  -0.533
  180    HZ2  LYS  22           1HZ      LYS  22  -8.355   3.047  -0.460
  181    HZ3  LYS  22           2HZ      LYS  22  -8.300   3.825  -1.958
  182    H    PHE  23           H        PHE  23  -1.208   6.070   0.793
  183    HA   PHE  23           HA       PHE  23  -1.483   5.403   3.535
  184    HB2  PHE  23           2HB      PHE  23   0.571   5.084   2.067
  185    HB3  PHE  23           3HB      PHE  23   0.884   6.804   2.244
  186    HD1  PHE  23           HD2      PHE  23  -0.050   4.036   4.614
  187    HD2  PHE  23           HD1      PHE  23   2.687   7.187   3.716
  188    HE1  PHE  23           HE2      PHE  23   1.210   3.510   6.650
  189    HE2  PHE  23           HE1      PHE  23   3.943   6.655   5.764
  190    HZ   PHE  23           HZ       PHE  23   3.213   4.818   7.228
  191    H    SER  24           H        SER  24  -1.356   8.532   1.893
  192    HA   SER  24           HA       SER  24  -1.055  10.182   4.180
  193    HB2  SER  24           2HB      SER  24  -2.232  10.836   1.451
  194    HB3  SER  24           3HB      SER  24  -1.797  12.033   2.677
  195    HG   SER  24           HG       SER  24  -0.208  10.728   0.899
  196    H    HIS  25           H        HIS  25  -3.881   8.760   2.609
  197    HA   HIS  25           HA       HIS  25  -5.825  10.269   4.146
  198    HB2  HIS  25           2HB      HIS  25  -6.042   7.972   2.168
  199    HB3  HIS  25           3HB      HIS  25  -7.440   8.512   3.090
  200    HD1  HIS  25           HD1      HIS  25  -8.858  10.021   1.757
  201    HD2  HIS  25           HD2      HIS  25  -4.840  10.504   0.815
  202    HE1  HIS  25           HE1      HIS  25  -8.788  11.798  -0.003
  203    HE2  HIS  25           HE2      HIS  25  -6.378  11.924  -0.692
  204    H    GLN  26           H        GLN  26  -4.346   7.047   4.279
  205    HA   GLN  26           HA       GLN  26  -5.120   6.721   7.055
  206    HB2  GLN  26           2HB      GLN  26  -6.287   4.577   6.746
  207    HB3  GLN  26           3HB      GLN  26  -7.121   5.883   5.912
  208    HG2  GLN  26           2HG      GLN  26  -6.111   5.117   3.767
  209    HG3  GLN  26           3HG      GLN  26  -5.359   3.772   4.633
  210   HE21  GLN  26          1HE2      GLN  26  -6.733   2.144   5.507
  211   HE22  GLN  26          2HE2      GLN  26  -8.316   1.890   4.883
  212    H    LYS  27           H        LYS  27  -3.830   5.343   8.182
  213    HA   LYS  27           HA       LYS  27  -1.350   4.458   6.887
  214    HB2  LYS  27           2HB      LYS  27  -2.091   4.572   9.843
  215    HB3  LYS  27           3HB      LYS  27  -0.481   4.244   9.195
  216    HG2  LYS  27           2HG      LYS  27  -2.029   6.858   9.006
  217    HG3  LYS  27           3HG      LYS  27  -0.581   6.543   9.971
  218    HD2  LYS  27           2HD      LYS  27   0.700   6.167   7.856
  219    HD3  LYS  27           3HD      LYS  27  -0.749   6.549   6.932
  220    HE2  LYS  27           2HE      LYS  27  -0.735   8.828   7.924
  221    HE3  LYS  27           3HE      LYS  27   0.779   8.437   8.746
  222    HZ1  LYS  27           3HZ      LYS  27   0.361   8.443   5.797
  223    HZ2  LYS  27           1HZ      LYS  27   1.814   8.087   6.586
  224    HZ3  LYS  27           2HZ      LYS  27   1.167   9.644   6.676
  225    H    TYR  28           H        TYR  28  -4.264   3.077   8.119
  226    HA   TYR  28           HA       TYR  28  -3.107   0.330   8.123
  227    HB2  TYR  28           2HB      TYR  28  -5.516   1.071   9.819
  228    HB3  TYR  28           3HB      TYR  28  -4.408  -0.282  10.003
  229    HD1  TYR  28           HD1      TYR  28  -1.883   0.405  10.637
  230    HD2  TYR  28           HD2      TYR  28  -5.300   2.893  11.280
  231    HE1  TYR  28           HE1      TYR  28  -0.658   1.669  12.353
  232    HE2  TYR  28           HE2      TYR  28  -4.070   4.155  12.984
  233    HH   TYR  28           HH       TYR  28  -2.179   3.869  14.478
  234    H    LEU  29           H        LEU  29  -3.861  -0.734   6.374
  235    HA   LEU  29           HA       LEU  29  -6.525  -0.229   5.233
  236    HB2  LEU  29           2HB      LEU  29  -4.215  -1.991   4.312
  237    HB3  LEU  29           3HB      LEU  29  -5.756  -1.897   3.470
  238    HG   LEU  29           HG       LEU  29  -3.821   0.427   3.841
  239   HD11  LEU  29          1HD1      LEU  29  -4.422  -1.190   1.345
  240   HD12  LEU  29          2HD1      LEU  29  -2.938  -1.270   2.299
  241   HD13  LEU  29          3HD1      LEU  29  -3.359   0.217   1.454
  242   HD21  LEU  29          3HD2      LEU  29  -6.397   0.278   2.236
  243   HD22  LEU  29          1HD2      LEU  29  -5.267   1.632   2.270
  244   HD23  LEU  29          2HD2      LEU  29  -6.147   1.193   3.727
  245    H    SER  30           H        SER  30  -8.196  -1.750   5.176
  246    HA   SER  30           HA       SER  30  -8.197  -4.031   6.952
  247    HB2  SER  30           2HB      SER  30 -10.206  -3.304   4.774
  248    HB3  SER  30           3HB      SER  30 -10.487  -4.407   6.126
  249    HG   SER  30           HG       SER  30 -10.859  -1.782   6.015
  250    H    ALA  31           H        ALA  31  -8.964  -6.247   5.996
  251    HA   ALA  31           HA       ALA  31  -7.110  -7.300   4.201
  252    HB1  ALA  31           3HB      ALA  31  -9.840  -8.461   4.829
  253    HB2  ALA  31           1HB      ALA  31  -8.372  -8.694   5.782
  254    HB3  ALA  31           2HB      ALA  31  -8.465  -9.326   4.138
  255    HA   PRO  32           HA       PRO  32 -10.415  -6.846   0.543
  256    HB2  PRO  32           2HB      PRO  32 -12.102  -4.627   0.871
  257    HB3  PRO  32           3HB      PRO  32 -12.578  -6.316   1.140
  258    HG2  PRO  32           2HG      PRO  32 -11.684  -4.263   3.142
  259    HG3  PRO  32           3HG      PRO  32 -13.018  -5.437   3.253
  260    HD2  PRO  32           2HD      PRO  32 -10.709  -5.898   4.511
  261    HD3  PRO  32           3HD      PRO  32 -11.570  -7.231   3.713
  262    H    GLU  33           H        GLU  33  -9.634  -3.737   2.274
  263    HA   GLU  33           HA       GLU  33  -9.123  -2.250  -0.078
  264    HB2  GLU  33           2HB      GLU  33  -8.524  -1.779   2.855
  265    HB3  GLU  33           3HB      GLU  33  -7.930  -0.655   1.645
  266    HG2  GLU  33           2HG      GLU  33  -9.993   0.163   2.626
  267    HG3  GLU  33           3HG      GLU  33 -10.199  -0.162   0.908
  268    H    ARG  34           H        ARG  34  -6.859  -3.965   2.088
  269    HA   ARG  34           HA       ARG  34  -4.446  -3.169   0.829
  270    HB2  ARG  34           2HB      ARG  34  -4.310  -4.097   3.017
  271    HB3  ARG  34           3HB      ARG  34  -5.211  -5.535   2.562
  272    HG2  ARG  34           2HG      ARG  34  -3.316  -6.385   1.303
  273    HG3  ARG  34           3HG      ARG  34  -2.416  -4.891   1.579
  274    HD2  ARG  34           2HD      ARG  34  -1.814  -6.901   3.061
  275    HD3  ARG  34           3HD      ARG  34  -2.092  -5.364   3.872
  276    HE   ARG  34           HE       ARG  34  -3.738  -6.385   5.056
  277   HH11  ARG  34          1HH1      ARG  34  -3.539  -8.180   2.092
  278   HH12  ARG  34          2HH1      ARG  34  -4.638  -9.390   2.643
  279   HH21  ARG  34          1HH2      ARG  34  -5.118  -7.969   5.715
  280   HH22  ARG  34          2HH2      ARG  34  -5.507  -9.275   4.651
  281    H    ALA  35           H        ALA  35  -6.637  -5.924   0.240
  282    HA   ALA  35           HA       ALA  35  -5.191  -7.079  -1.932
  283    HB1  ALA  35           3HB      ALA  35  -7.258  -8.365  -2.333
  284    HB2  ALA  35           1HB      ALA  35  -8.129  -7.314  -1.209
  285    HB3  ALA  35           2HB      ALA  35  -6.826  -8.348  -0.623
  286    H    HIS  36           H        HIS  36  -7.682  -4.553  -1.778
  287    HA   HIS  36           HA       HIS  36  -8.283  -4.365  -4.559
  288    HB2  HIS  36           2HB      HIS  36  -8.582  -2.305  -2.326
  289    HB3  HIS  36           3HB      HIS  36  -9.182  -2.057  -3.963
  290    HD1  HIS  36           HD1      HIS  36 -11.126  -1.977  -1.580
  291    HD2  HIS  36           HD2      HIS  36 -10.352  -5.404  -3.785
  292    HE1  HIS  36           HE1      HIS  36 -13.129  -3.445  -1.267
  293    HE2  HIS  36           HE2      HIS  36 -12.577  -5.564  -2.495
  294    H    LEU  37           H        LEU  37  -5.928  -2.801  -2.455
  295    HA   LEU  37           HA       LEU  37  -4.873  -0.987  -4.408
  296    HB2  LEU  37           2HB      LEU  37  -4.820  -0.731  -1.868
  297    HB3  LEU  37           3HB      LEU  37  -3.553  -1.949  -1.843
  298    HG   LEU  37           HG       LEU  37  -2.118  -0.439  -3.247
  299   HD11  LEU  37          1HD1      LEU  37  -3.888   0.840  -4.366
  300   HD12  LEU  37          2HD1      LEU  37  -2.735   1.903  -3.568
  301   HD13  LEU  37          3HD1      LEU  37  -4.316   1.612  -2.836
  302   HD21  LEU  37          3HD2      LEU  37  -1.874  -0.447  -0.811
  303   HD22  LEU  37          1HD2      LEU  37  -3.102   0.814  -0.665
  304   HD23  LEU  37          2HD2      LEU  37  -1.569   1.154  -1.475
  305    H    ALA  38           H        ALA  38  -3.976  -4.188  -3.181
  306    HA   ALA  38           HA       ALA  38  -1.503  -4.587  -4.423
  307    HB1  ALA  38           3HB      ALA  38  -2.415  -6.060  -2.667
  308    HB2  ALA  38           1HB      ALA  38  -1.896  -6.985  -4.078
  309    HB3  ALA  38           2HB      ALA  38  -3.614  -6.681  -3.802
  310    H    LYS  39           H        LYS  39  -4.737  -5.647  -5.630
  311    HA   LYS  39           HA       LYS  39  -3.824  -6.764  -8.047
  312    HB2  LYS  39           2HB      LYS  39  -6.206  -6.732  -8.771
  313    HB3  LYS  39           3HB      LYS  39  -5.986  -7.373  -7.147
  314    HG2  LYS  39           2HG      LYS  39  -6.715  -5.206  -6.194
  315    HG3  LYS  39           3HG      LYS  39  -6.975  -4.584  -7.824
  316    HD2  LYS  39           2HD      LYS  39  -8.415  -7.006  -6.668
  317    HD3  LYS  39           3HD      LYS  39  -9.068  -5.367  -6.656
  318    HE2  LYS  39           2HE      LYS  39  -9.099  -5.319  -9.092
  319    HE3  LYS  39           3HE      LYS  39  -8.333  -6.910  -9.169
  320    HZ1  LYS  39           3HZ      LYS  39 -11.010  -6.350  -7.985
  321    HZ2  LYS  39           1HZ      LYS  39 -10.271  -7.869  -8.095
  322    HZ3  LYS  39           2HZ      LYS  39 -10.734  -7.050  -9.500
  323    H    ASN  40           H        ASN  40  -5.047  -3.483  -7.424
  324    HA   ASN  40           HA       ASN  40  -5.096  -2.531 -10.080
  325    HB2  ASN  40           2HB      ASN  40  -4.822  -1.066  -7.431
  326    HB3  ASN  40           3HB      ASN  40  -5.013  -0.239  -8.974
  327   HD21  ASN  40          1HD2      ASN  40  -6.932   0.685  -8.075
  328   HD22  ASN  40          2HD2      ASN  40  -8.406  -0.211  -8.038
  329    H    LEU  41           H        LEU  41  -2.498  -2.549  -7.676
  330    HA   LEU  41           HA       LEU  41  -0.630  -1.165  -9.494
  331    HB2  LEU  41           2HB      LEU  41  -0.475  -1.909  -6.555
  332    HB3  LEU  41           3HB      LEU  41   0.851  -1.150  -7.427
  333    HG   LEU  41           HG       LEU  41  -1.908   0.082  -6.996
  334   HD11  LEU  41          1HD1      LEU  41  -0.776   1.682  -5.518
  335   HD12  LEU  41          2HD1      LEU  41   0.737   0.785  -5.695
  336   HD13  LEU  41          3HD1      LEU  41  -0.654   0.031  -4.913
  337   HD21  LEU  41          3HD2      LEU  41   0.559   1.250  -8.328
  338   HD22  LEU  41          1HD2      LEU  41  -0.935   2.119  -7.971
  339   HD23  LEU  41          2HD2      LEU  41  -0.953   0.792  -9.125
  340    H    LYS  42           H        LYS  42  -1.560  -4.228  -9.385
  341    HA   LYS  42           HA       LYS  42  -0.742  -6.278  -9.812
  342    HB2  LYS  42           2HB      LYS  42   1.454  -4.640 -11.121
  343    HB3  LYS  42           3HB      LYS  42   1.308  -6.384 -11.312
  344    HG2  LYS  42           2HG      LYS  42  -0.757  -4.323 -12.156
  345    HG3  LYS  42           3HG      LYS  42   0.356  -5.173 -13.230
  346    HD2  LYS  42           2HD      LYS  42  -0.723  -7.352 -12.465
  347    HD3  LYS  42           3HD      LYS  42  -1.925  -6.383 -11.606
  348    HE2  LYS  42           2HE      LYS  42  -2.835  -7.083 -13.750
  349    HE3  LYS  42           3HE      LYS  42  -2.577  -5.338 -13.780
  350    HZ1  LYS  42           3HZ      LYS  42  -1.853  -6.458 -15.821
  351    HZ2  LYS  42           1HZ      LYS  42  -0.718  -7.348 -14.941
  352    HZ3  LYS  42           2HZ      LYS  42  -0.574  -5.667 -15.050
  353    H    LEU  43           H        LEU  43   0.093  -4.997  -7.284
  354    HA   LEU  43           HA       LEU  43   2.540  -6.417  -6.501
  355    HB2  LEU  43           2HB      LEU  43   0.593  -4.668  -4.938
  356    HB3  LEU  43           3HB      LEU  43   1.982  -5.454  -4.199
  357    HG   LEU  43           HG       LEU  43   2.107  -3.321  -6.371
  358   HD11  LEU  43          1HD1      LEU  43   3.039  -1.862  -4.626
  359   HD12  LEU  43          2HD1      LEU  43   2.788  -3.127  -3.420
  360   HD13  LEU  43          3HD1      LEU  43   1.403  -2.384  -4.223
  361   HD21  LEU  43          3HD2      LEU  43   4.545  -3.330  -5.969
  362   HD22  LEU  43          1HD2      LEU  43   3.979  -4.877  -6.595
  363   HD23  LEU  43          2HD2      LEU  43   4.367  -4.708  -4.880
  364    H    THR  44           H        THR  44   2.288  -7.610  -4.267
  365    HA   THR  44           HA       THR  44  -0.156  -9.311  -4.221
  366    HB   THR  44           HB       THR  44   1.078 -10.946  -2.913
  367    HG1  THR  44           HG1      THR  44   3.457 -10.375  -2.575
  368   HG21  THR  44          3HG2      THR  44   2.914 -11.591  -4.421
  369   HG22  THR  44          1HG2      THR  44   2.903  -9.985  -5.151
  370   HG23  THR  44          2HG2      THR  44   1.515 -11.059  -5.356
  371    H    GLU  45           H        GLU  45  -1.049  -9.754  -2.035
  372    HA   GLU  45           HA       GLU  45  -1.483  -7.480  -0.436
  373    HB2  GLU  45           2HB      GLU  45  -1.863 -10.432   0.204
  374    HB3  GLU  45           3HB      GLU  45  -2.466  -9.123   1.219
  375    HG2  GLU  45           2HG      GLU  45  -3.963  -8.368  -0.534
  376    HG3  GLU  45           3HG      GLU  45  -3.259  -9.520  -1.677
  377    H    THR  46           H        THR  46   0.913 -10.065  -0.123
  378    HA   THR  46           HA       THR  46   1.941  -9.409   2.428
  379    HB   THR  46           HB       THR  46   3.318 -10.800   0.081
  380    HG1  THR  46           HG1      THR  46   2.915 -12.611   1.706
  381   HG21  THR  46          3HG2      THR  46   4.216 -10.659   2.990
  382   HG22  THR  46          1HG2      THR  46   5.046  -9.911   1.622
  383   HG23  THR  46          2HG2      THR  46   4.947 -11.668   1.741
  384    H    GLN  47           H        GLN  47   2.905  -8.359  -0.863
  385    HA   GLN  47           HA       GLN  47   5.107  -6.751  -0.079
  386    HB2  GLN  47           2HB      GLN  47   3.426  -6.693  -2.613
  387    HB3  GLN  47           3HB      GLN  47   4.858  -5.691  -2.379
  388    HG2  GLN  47           2HG      GLN  47   6.167  -7.814  -1.986
  389    HG3  GLN  47           3HG      GLN  47   4.739  -8.716  -2.490
  390   HE21  GLN  47          1HE2      GLN  47   5.932  -5.678  -3.923
  391   HE22  GLN  47          2HE2      GLN  47   6.321  -6.365  -5.454
  392    H    VAL  48           H        VAL  48   1.697  -5.829  -0.726
  393    HA   VAL  48           HA       VAL  48   1.908  -3.074  -0.224
  394    HB   VAL  48           HB       VAL  48  -0.458  -4.934   0.333
  395   HG11  VAL  48          1HG1      VAL  48  -1.893  -2.915   0.241
  396   HG12  VAL  48          2HG1      VAL  48  -0.453  -1.897   0.134
  397   HG13  VAL  48          3HG1      VAL  48  -0.754  -2.848   1.589
  398   HG21  VAL  48          3HG2      VAL  48   0.250  -4.947  -2.023
  399   HG22  VAL  48          1HG2      VAL  48   0.142  -3.187  -2.088
  400   HG23  VAL  48          2HG2      VAL  48  -1.316  -4.158  -1.852
  401    H    LYS  49           H        LYS  49   1.336  -5.784   2.055
  402    HA   LYS  49           HA       LYS  49   1.203  -4.316   4.455
  403    HB2  LYS  49           2HB      LYS  49   0.568  -6.713   4.269
  404    HB3  LYS  49           3HB      LYS  49   2.261  -7.144   4.047
  405    HG2  LYS  49           2HG      LYS  49   2.701  -6.140   6.349
  406    HG3  LYS  49           3HG      LYS  49   0.957  -6.004   6.540
  407    HD2  LYS  49           2HD      LYS  49   1.502  -8.015   7.652
  408    HD3  LYS  49           3HD      LYS  49   0.876  -8.549   6.093
  409    HE2  LYS  49           2HE      LYS  49   3.827  -8.275   6.760
  410    HE3  LYS  49           3HE      LYS  49   2.920  -9.783   6.844
  411    HZ1  LYS  49           3HZ      LYS  49   2.446  -9.508   4.447
  412    HZ2  LYS  49           1HZ      LYS  49   4.086  -9.721   4.802
  413    HZ3  LYS  49           2HZ      LYS  49   3.500  -8.182   4.410
  414    H    ILE  50           H        ILE  50   4.047  -5.614   2.709
  415    HA   ILE  50           HA       ILE  50   6.051  -5.085   4.632
  416    HB   ILE  50           HB       ILE  50   6.273  -5.231   1.586
  417   HG12  ILE  50          2HG1      ILE  50   7.058  -7.327   3.673
  418   HG13  ILE  50          3HG1      ILE  50   5.538  -7.340   2.793
  419   HG21  ILE  50          1HG2      ILE  50   8.719  -5.517   1.883
  420   HG22  ILE  50          2HG2      ILE  50   8.544  -5.222   3.612
  421   HG23  ILE  50          3HG2      ILE  50   8.175  -3.939   2.459
  422   HD11  ILE  50          3HD1      ILE  50   6.767  -7.591   0.684
  423   HD12  ILE  50          1HD1      ILE  50   7.094  -8.898   1.821
  424   HD13  ILE  50          2HD1      ILE  50   8.285  -7.620   1.587
  425    H    TRP  51           H        TRP  51   5.234  -3.195   1.684
  426    HA   TRP  51           HA       TRP  51   6.835  -0.970   2.068
  427    HB2  TRP  51           2HB      TRP  51   5.527  -1.464  -0.025
  428    HB3  TRP  51           3HB      TRP  51   4.058  -0.962   0.794
  429    HD1  TRP  51           HD1      TRP  51   7.219   0.515  -0.847
  430    HE1  TRP  51           HE1      TRP  51   6.880   3.018  -1.223
  431    HE3  TRP  51           HE3      TRP  51   2.887   1.155   1.771
  432    HZ2  TRP  51           HZ2      TRP  51   5.049   5.016  -0.496
  433    HZ3  TRP  51           HZ3      TRP  51   1.910   3.406   1.907
  434    HH2  TRP  51           HH2      TRP  51   2.974   5.304   0.793
  435    H    PHE  52           H        PHE  52   3.346  -1.215   2.961
  436    HA   PHE  52           HA       PHE  52   3.133   1.211   4.320
  437    HB2  PHE  52           2HB      PHE  52   1.538  -1.344   4.434
  438    HB3  PHE  52           3HB      PHE  52   1.180  -0.073   5.598
  439    HD1  PHE  52           HD1      PHE  52   1.338  -0.786   1.925
  440    HD2  PHE  52           HD2      PHE  52  -0.113   1.844   4.958
  441    HE1  PHE  52           HE1      PHE  52  -0.029   0.384   0.265
  442    HE2  PHE  52           HE2      PHE  52  -1.486   3.012   3.284
  443    HZ   PHE  52           HZ       PHE  52  -1.442   2.291   0.932
  444    H    GLN  53           H        GLN  53   4.242  -1.922   5.659
  445    HA   GLN  53           HA       GLN  53   4.228  -1.205   8.407
  446    HB2  GLN  53           2HB      GLN  53   4.406  -3.554   7.614
  447    HB3  GLN  53           3HB      GLN  53   6.018  -3.224   6.991
  448    HG2  GLN  53           2HG      GLN  53   6.820  -2.804   9.297
  449    HG3  GLN  53           3HG      GLN  53   5.203  -3.127   9.917
  450   HE21  GLN  53          1HE2      GLN  53   4.726  -5.400   8.099
  451   HE22  GLN  53          2HE2      GLN  53   5.700  -6.691   8.694
  452    H    ASN  54           H        ASN  54   6.964  -1.222   6.072
  453    HA   ASN  54           HA       ASN  54   8.875  -0.024   7.798
  454    HB2  ASN  54           2HB      ASN  54   8.808  -0.002   4.754
  455    HB3  ASN  54           3HB      ASN  54  10.202   0.433   5.740
  456   HD21  ASN  54          1HD2      ASN  54   8.478  -2.133   4.299
  457   HD22  ASN  54          2HD2      ASN  54   9.424  -3.425   4.933
  458    H    ARG  55           H        ARG  55   6.646   1.393   5.427
  459    HA   ARG  55           HA       ARG  55   7.507   4.075   5.571
  460    HB2  ARG  55           2HB      ARG  55   4.803   2.915   4.859
  461    HB3  ARG  55           3HB      ARG  55   5.210   4.618   4.662
  462    HG2  ARG  55           2HG      ARG  55   6.652   2.335   3.286
  463    HG3  ARG  55           3HG      ARG  55   5.351   3.283   2.573
  464    HD2  ARG  55           2HD      ARG  55   8.120   4.238   3.346
  465    HD3  ARG  55           3HD      ARG  55   7.417   4.119   1.719
  466    HE   ARG  55           HE       ARG  55   6.468   6.012   3.807
  467   HH11  ARG  55          1HH1      ARG  55   7.173   5.415   0.459
  468   HH12  ARG  55          2HH1      ARG  55   6.685   6.998  -0.024
  469   HH21  ARG  55          2HH2      ARG  55   5.899   8.026   3.167
  470   HH22  ARG  55          1HH2      ARG  55   5.961   8.456   1.495
  471    H    ARG  56           H        ARG  56   5.227   2.247   7.594
  472    HA   ARG  56           HA       ARG  56   4.225   4.451   9.101
  473    HB2  ARG  56           2HB      ARG  56   4.310   1.459   9.576
  474    HB3  ARG  56           3HB      ARG  56   3.736   2.547  10.837
  475    HG2  ARG  56           2HG      ARG  56   1.910   3.317   9.457
  476    HG3  ARG  56           3HG      ARG  56   2.537   2.461   8.047
  477    HD2  ARG  56           2HD      ARG  56   0.620   1.278   9.078
  478    HD3  ARG  56           3HD      ARG  56   2.095   0.307   9.112
  479    HE   ARG  56           HE       ARG  56   1.616   1.839  11.515
  480   HH11  ARG  56          1HH1      ARG  56   1.022  -1.209   9.939
  481   HH12  ARG  56          2HH1      ARG  56   0.693  -2.027  11.429
  482   HH21  ARG  56          1HH2      ARG  56   1.186   0.766  13.404
  483   HH22  ARG  56          2HH2      ARG  56   0.792  -0.916  13.382
  484    H    TYR  57           H        TYR  57   6.986   2.261   9.490
  485    HA   TYR  57           HA       TYR  57   8.024   3.356  11.909
  486    HB2  TYR  57           2HB      TYR  57   8.618   1.099  10.967
  487    HB3  TYR  57           3HB      TYR  57   9.512   1.896   9.681
  488    HD1  TYR  57           HD1      TYR  57   9.375   1.677  13.435
  489    HD2  TYR  57           HD2      TYR  57  11.850   2.286   9.999
  490    HE1  TYR  57           HE1      TYR  57  11.375   1.655  14.863
  491    HE2  TYR  57           HE2      TYR  57  13.842   2.268  11.433
  492    HH   TYR  57           HH       TYR  57  14.336   2.770  13.911
  493    H    LYS  58           H        LYS  58   8.163   4.355   8.584
  494    HA   LYS  58           HA       LYS  58  10.340   6.288   8.977
  495    HB2  LYS  58           2HB      LYS  58   8.725   5.573   6.506
  496    HB3  LYS  58           3HB      LYS  58  10.003   6.787   6.536
  497    HG2  LYS  58           2HG      LYS  58  11.641   5.025   7.165
  498    HG3  LYS  58           3HG      LYS  58  10.356   3.815   7.077
  499    HD2  LYS  58           2HD      LYS  58  11.648   3.781   5.002
  500    HD3  LYS  58           3HD      LYS  58  10.018   4.371   4.667
  501    HE2  LYS  58           2HE      LYS  58  10.947   6.727   4.780
  502    HE3  LYS  58           3HE      LYS  58  12.556   6.012   4.915
  503    HZ1  LYS  58           3HZ      LYS  58  12.223   6.526   2.655
  504    HZ2  LYS  58           1HZ      LYS  58  10.686   5.823   2.625
  505    HZ3  LYS  58           2HZ      LYS  58  12.052   4.851   2.773
  506    H    THR  59           H        THR  59   6.884   6.320   9.255
  507    HA   THR  59           HA       THR  59   6.413   9.012   8.379
  508    HB   THR  59           HB       THR  59   4.649   7.385  10.258
  509    HG1  THR  59           HG1      THR  59   5.220   6.927   7.730
  510   HG21  THR  59          3HG2      THR  59   4.037   9.773  10.288
  511   HG22  THR  59          1HG2      THR  59   2.810   8.840   9.428
  512   HG23  THR  59          2HG2      THR  59   3.983   9.798   8.522
  513    H    LYS  60           H        LYS  60   8.216  10.067   9.470
  514    HA   LYS  60           HA       LYS  60   9.080  11.555  10.931
  515    HB2  LYS  60           2HB      LYS  60   6.105  12.063  11.074
  516    HB3  LYS  60           3HB      LYS  60   7.198  13.062  12.014
  517    HG2  LYS  60           2HG      LYS  60   6.676  14.225   9.972
  518    HG3  LYS  60           3HG      LYS  60   8.367  13.728   9.922
  519    HD2  LYS  60           2HD      LYS  60   7.772  11.848   8.427
  520    HD3  LYS  60           3HD      LYS  60   6.074  12.319   8.511
  521    HE2  LYS  60           2HE      LYS  60   6.589  14.450   7.398
  522    HE3  LYS  60           3HE      LYS  60   8.304  14.039   7.363
  523    HZ1  LYS  60           3HZ      LYS  60   7.795  12.170   5.920
  524    HZ2  LYS  60           1HZ      LYS  60   7.232  13.611   5.233
  525    HZ3  LYS  60           2HZ      LYS  60   6.147  12.541   5.968
  526    H    ARG  61           H        ARG  61   8.821   8.917  12.164
  527    HA   ARG  61           HA       ARG  61   7.964   9.180  14.893
  528    HB2  ARG  61           2HB      ARG  61   9.721   7.075  13.562
  529    HB3  ARG  61           3HB      ARG  61   9.188   6.989  15.238
  530    HG2  ARG  61           2HG      ARG  61   6.790   7.049  14.318
  531    HG3  ARG  61           3HG      ARG  61   7.511   6.760  12.730
  532    HD2  ARG  61           2HD      ARG  61   8.525   4.670  13.554
  533    HD3  ARG  61           3HD      ARG  61   7.874   4.977  15.171
  534    HE   ARG  61           HE       ARG  61   5.760   4.965  13.318
  535   HH11  ARG  61          1HH1      ARG  61   7.955   2.696  14.781
  536   HH12  ARG  61          2HH1      ARG  61   6.877   1.368  14.548
  537   HH21  ARG  61          1HH2      ARG  61   4.431   3.231  13.024
  538   HH22  ARG  61          2HH2      ARG  61   4.928   1.664  13.559
  539    H    LYS  62           H        LYS  62   9.471   8.679  16.746
  540    HA   LYS  62           HA       LYS  62  11.582  10.523  17.029
  541    HB2  LYS  62           2HB      LYS  62  12.103   9.347  19.144
  542    HB3  LYS  62           3HB      LYS  62  10.377   9.649  18.979
  543    HG2  LYS  62           2HG      LYS  62   9.987   7.301  18.375
  544    HG3  LYS  62           3HG      LYS  62  11.725   6.978  18.417
  545    HD2  LYS  62           2HD      LYS  62  11.756   7.517  20.844
  546    HD3  LYS  62           3HD      LYS  62  10.016   7.814  20.798
  547    HE2  LYS  62           2HE      LYS  62   9.631   5.463  20.171
  548    HE3  LYS  62           3HE      LYS  62  11.371   5.162  20.196
  549    HZ1  LYS  62           3HZ      LYS  62  10.373   4.422  22.243
  550    HZ2  LYS  62           1HZ      LYS  62   9.691   5.948  22.522
  551    HZ3  LYS  62           2HZ      LYS  62  11.369   5.750  22.562
  552    H    GLN  63           H        GLN  63  13.770  10.363  16.710
  553    HA   GLN  63           HA       GLN  63  14.921   7.834  15.657
  554    HB2  GLN  63           2HB      GLN  63  15.759  10.696  14.959
  555    HB3  GLN  63           3HB      GLN  63  16.423   9.220  14.260
  556    HG2  GLN  63           2HG      GLN  63  13.605  10.294  13.899
  557    HG3  GLN  63           3HG      GLN  63  14.890  10.278  12.693
  558   HE21  GLN  63          1HE2      GLN  63  12.152   9.051  12.790
  559   HE22  GLN  63          2HE2      GLN  63  12.408   7.393  12.381
  560    H    LEU  64           H        LEU  64  17.559   8.385  15.721
  561    HA   LEU  64           HA       LEU  64  18.270   8.090  18.459
  562    HB2  LEU  64           2HB      LEU  64  19.453   7.032  16.512
  563    HB3  LEU  64           3HB      LEU  64  20.086   8.607  16.076
  564    HG   LEU  64           HG       LEU  64  21.436   8.694  18.134
  565   HD11  LEU  64          1HD1      LEU  64  20.229   5.994  18.840
  566   HD12  LEU  64          2HD1      LEU  64  19.949   7.519  19.687
  567   HD13  LEU  64          3HD1      LEU  64  21.551   6.789  19.700
  568   HD21  LEU  64          3HD2      LEU  64  23.016   6.868  17.650
  569   HD22  LEU  64          1HD2      LEU  64  22.420   7.595  16.157
  570   HD23  LEU  64          2HD2      LEU  64  21.785   6.039  16.695
  571    H    SER  65           H        SER  65  18.265  10.800  16.248
  572    HA   SER  65           HA       SER  65  18.398  13.023  16.425
  573    HB2  SER  65           2HB      SER  65  18.394  12.609  19.437
  574    HB3  SER  65           3HB      SER  65  18.272  14.185  18.646
  575    HG   SER  65           HG       SER  65  16.355  12.287  19.038
  576    H    SER  66           H        SER  66  20.645  11.802  18.978
  577    HA   SER  66           HA       SER  66  22.885  13.226  17.754
  578    HB2  SER  66           2HB      SER  66  24.226  12.209  19.607
  579    HB3  SER  66           3HB      SER  66  22.823  13.081  20.221
  580    HG   SER  66           HG       SER  66  23.257  10.298  20.051
  581    H    GLU  67           H        GLU  67  22.366  12.031  15.689
  582    HA   GLU  67           HA       GLU  67  23.231   9.194  15.597
  583    HB2  GLU  67           2HB      GLU  67  20.908   9.645  14.866
  584    HB3  GLU  67           3HB      GLU  67  21.499  10.774  13.653
  585    HG2  GLU  67           2HG      GLU  67  22.652   8.929  12.483
  586    HG3  GLU  67           3HG      GLU  67  22.093   7.793  13.711
  587    H    LEU  68           H        LEU  68  24.994   8.625  14.498
  588    HA   LEU  68           HA       LEU  68  26.652  10.534  13.086
  589    HB2  LEU  68           2HB      LEU  68  27.534   8.658  14.537
  590    HB3  LEU  68           3HB      LEU  68  26.969   7.512  13.335
  591    HG   LEU  68           HG       LEU  68  28.562   8.503  11.666
  592   HD11  LEU  68          1HD1      LEU  68  30.344  10.037  12.444
  593   HD12  LEU  68          2HD1      LEU  68  29.522  10.194  13.998
  594   HD13  LEU  68          3HD1      LEU  68  28.745  10.775  12.524
  595   HD21  LEU  68          3HD2      LEU  68  29.844   7.536  14.246
  596   HD22  LEU  68          1HD2      LEU  68  30.624   7.567  12.662
  597   HD23  LEU  68          2HD2      LEU  68  29.232   6.522  12.936
  598    H    GLY  69           H        GLY  69  24.642   7.711  12.226
  599    HA2  GLY  69           2HA      GLY  69  23.408   7.292  10.324
  600    HA3  GLY  69           3HA      GLY  69  24.004   8.777   9.612
  Start of MODEL   14
    1    H1   MET   1           1H       MET   1  22.280 -18.358  13.983
    2    H2   MET   1           2H       MET   1  23.720 -18.719  14.783
    3    H3   MET   1           3H       MET   1  23.619 -17.348  13.800
    4    HA   MET   1           HA       MET   1  22.104 -17.802  16.307
    5    HB2  MET   1           2HB      MET   1  24.386 -15.847  15.743
    6    HB3  MET   1           3HB      MET   1  23.516 -15.995  17.268
    7    HG2  MET   1           2HG      MET   1  24.397 -18.305  17.522
    8    HG3  MET   1           3HG      MET   1  25.307 -18.102  16.020
    9    HE1  MET   1           3HE      MET   1  28.165 -17.923  18.720
   10    HE2  MET   1           1HE      MET   1  27.669 -18.645  17.191
   11    HE3  MET   1           2HE      MET   1  26.765 -18.996  18.665
   12    H    GLY   2           H        GLY   2  20.698 -16.055  16.915
   13    HA2  GLY   2           2HA      GLY   2  19.378 -14.171  16.656
   14    HA3  GLY   2           3HA      GLY   2  20.304 -13.727  15.233
   15    H    HIS   3           H        HIS   3  18.273 -13.115  14.264
   16    HA   HIS   3           HA       HIS   3  16.491 -15.330  13.410
   17    HB2  HIS   3           2HB      HIS   3  14.824 -13.664  12.910
   18    HB3  HIS   3           3HB      HIS   3  15.462 -13.285  14.500
   19    HD1  HIS   3           HD1      HIS   3  15.340 -12.005  10.982
   20    HD2  HIS   3           HD2      HIS   3  16.768 -10.781  14.682
   21    HE1  HIS   3           HE1      HIS   3  15.962  -9.603  10.696
   22    HE2  HIS   3           HE2      HIS   3  16.525  -8.839  13.012
   23    H    HIS   4           H        HIS   4  15.880 -15.489  11.159
   24    HA   HIS   4           HA       HIS   4  17.984 -15.188   9.272
   25    HB2  HIS   4           2HB      HIS   4  15.034 -15.758   8.741
   26    HB3  HIS   4           3HB      HIS   4  16.350 -16.014   7.598
   27    HD1  HIS   4           HD1      HIS   4  18.194 -17.864   8.440
   28    HD2  HIS   4           HD2      HIS   4  14.483 -17.951  10.304
   29    HE1  HIS   4           HE1      HIS   4  18.035 -20.116   9.528
   30    HE2  HIS   4           HE2      HIS   4  15.829 -20.103  10.733
   31    H    HIS   5           H        HIS   5  18.402 -13.590   7.735
   32    HA   HIS   5           HA       HIS   5  17.001 -11.068   7.927
   33    HB2  HIS   5           2HB      HIS   5  18.622 -10.266   6.195
   34    HB3  HIS   5           3HB      HIS   5  19.389 -10.959   7.612
   35    HD1  HIS   5           HD1      HIS   5  20.864 -13.018   7.273
   36    HD2  HIS   5           HD2      HIS   5  18.980 -11.777   3.786
   37    HE1  HIS   5           HE1      HIS   5  21.994 -14.261   5.414
   38    HE2  HIS   5           HE2      HIS   5  20.878 -13.449   3.317
   39    H    HIS   6           H        HIS   6  15.509 -10.212   6.566
   40    HA   HIS   6           HA       HIS   6  14.593 -11.802   4.231
   41    HB2  HIS   6           2HB      HIS   6  12.911 -10.448   6.378
   42    HB3  HIS   6           3HB      HIS   6  12.244 -11.083   4.875
   43    HD1  HIS   6           HD1      HIS   6  13.335 -12.107   8.257
   44    HD2  HIS   6           HD2      HIS   6  12.368 -13.966   4.665
   45    HE1  HIS   6           HE1      HIS   6  13.000 -14.525   8.810
   46    HE2  HIS   6           HE2      HIS   6  12.438 -15.637   6.632
   47    H    HIS   7           H        HIS   7  15.227 -10.586   2.505
   48    HA   HIS   7           HA       HIS   7  15.088  -7.709   2.466
   49    HB2  HIS   7           2HB      HIS   7  15.761  -7.867   0.107
   50    HB3  HIS   7           3HB      HIS   7  16.784  -8.871   1.118
   51    HD1  HIS   7           HD1      HIS   7  16.765 -11.404   0.656
   52    HD2  HIS   7           HD2      HIS   7  14.140  -9.283  -1.768
   53    HE1  HIS   7           HE1      HIS   7  16.108 -12.983  -1.173
   54    HE2  HIS   7           HE2      HIS   7  14.470 -11.706  -2.580
   55    H    HIS   8           H        HIS   8  13.433  -6.415   1.783
   56    HA   HIS   8           HA       HIS   8  10.871  -7.663   1.071
   57    HB2  HIS   8           2HB      HIS   8  11.508  -4.721   1.570
   58    HB3  HIS   8           3HB      HIS   8   9.901  -5.436   1.437
   59    HD1  HIS   8           HD1      HIS   8   9.813  -7.674   3.320
   60    HD2  HIS   8           HD2      HIS   8  12.017  -4.281   4.212
   61    HE1  HIS   8           HE1      HIS   8  10.117  -7.707   5.796
   62    HE2  HIS   8           HE2      HIS   8  11.625  -5.759   6.280
   63    H    SER   9           H        SER   9   9.824  -7.401  -0.866
   64    HA   SER   9           HA       SER   9  11.282  -7.045  -3.250
   65    HB2  SER   9           2HB      SER   9   9.266  -8.449  -3.108
   66    HB3  SER   9           3HB      SER   9   8.274  -7.034  -2.767
   67    HG   SER   9           HG       SER   9   8.454  -7.951  -5.029
   68    H    HIS  10           H        HIS  10  11.627  -5.272  -4.548
   69    HA   HIS  10           HA       HIS  10  10.953  -2.633  -3.543
   70    HB2  HIS  10           2HB      HIS  10  12.533  -3.510  -5.990
   71    HB3  HIS  10           3HB      HIS  10  12.271  -1.823  -5.550
   72    HD1  HIS  10           HD1      HIS  10  13.194  -1.179  -3.055
   73    HD2  HIS  10           HD2      HIS  10  14.780  -4.580  -4.825
   74    HE1  HIS  10           HE1      HIS  10  15.335  -1.624  -1.845
   75    HE2  HIS  10           HE2      HIS  10  16.221  -3.744  -2.856
   76    H    MET  11           H        MET  11  10.511  -1.026  -5.666
   77    HA   MET  11           HA       MET  11   8.030  -1.787  -6.976
   78    HB2  MET  11           2HB      MET  11   8.074   0.210  -4.659
   79    HB3  MET  11           3HB      MET  11   6.762   0.138  -5.827
   80    HG2  MET  11           2HG      MET  11   6.037  -1.973  -5.050
   81    HG3  MET  11           3HG      MET  11   7.543  -2.273  -4.183
   82    HE1  MET  11           3HE      MET  11   4.639  -2.728  -2.905
   83    HE2  MET  11           1HE      MET  11   4.833  -2.002  -1.312
   84    HE3  MET  11           2HE      MET  11   6.114  -3.013  -1.982
   85    H    SER  12           H        SER  12   7.251   0.008  -8.411
   86    HA   SER  12           HA       SER  12   9.506   1.611  -9.432
   87    HB2  SER  12           2HB      SER  12   6.734   1.125 -10.571
   88    HB3  SER  12           3HB      SER  12   7.978   2.100 -11.360
   89    HG   SER  12           HG       SER  12   7.646  -0.414 -11.677
   90    H    HIS  13           H        HIS  13   9.074   3.941 -10.099
   91    HA   HIS  13           HA       HIS  13   8.663   5.442  -7.785
   92    HB2  HIS  13           2HB      HIS  13  10.092   6.193  -9.650
   93    HB3  HIS  13           3HB      HIS  13   8.673   6.445 -10.653
   94    HD1  HIS  13           HD1      HIS  13  10.443   7.887  -7.656
   95    HD2  HIS  13           HD2      HIS  13   7.365   8.890 -10.257
   96    HE1  HIS  13           HE1      HIS  13   9.847  10.254  -7.107
   97    HE2  HIS  13           HE2      HIS  13   8.140  10.899  -8.831
   98    H    THR  14           H        THR  14   6.471   5.411 -10.694
   99    HA   THR  14           HA       THR  14   4.489   7.080  -9.520
  100    HB   THR  14           HB       THR  14   4.160   5.137 -11.852
  101    HG1  THR  14           HG1      THR  14   4.451   7.154 -13.060
  102   HG21  THR  14          3HG2      THR  14   2.452   7.529 -11.038
  103   HG22  THR  14          1HG2      THR  14   1.955   5.834 -10.977
  104   HG23  THR  14          2HG2      THR  14   2.268   6.606 -12.531
  105    H    GLN  15           H        GLN  15   4.932   3.585  -9.549
  106    HA   GLN  15           HA       GLN  15   2.484   2.734  -8.458
  107    HB2  GLN  15           2HB      GLN  15   4.093   1.168  -9.405
  108    HB3  GLN  15           3HB      GLN  15   5.289   1.587  -8.183
  109    HG2  GLN  15           2HG      GLN  15   4.012   0.511  -6.448
  110    HG3  GLN  15           3HG      GLN  15   2.626   0.298  -7.521
  111   HE21  GLN  15          1HE2      GLN  15   2.727  -1.313  -9.125
  112   HE22  GLN  15          2HE2      GLN  15   3.861  -2.608  -9.028
  113    H    VAL  16           H        VAL  16   5.536   3.668  -6.815
  114    HA   VAL  16           HA       VAL  16   4.590   3.476  -4.160
  115    HB   VAL  16           HB       VAL  16   6.894   5.176  -5.229
  116   HG11  VAL  16          1HG1      VAL  16   7.784   5.203  -2.914
  117   HG12  VAL  16          2HG1      VAL  16   6.337   4.369  -2.340
  118   HG13  VAL  16          3HG1      VAL  16   6.211   5.998  -3.005
  119   HG21  VAL  16          3HG2      VAL  16   6.929   2.396  -3.971
  120   HG22  VAL  16          1HG2      VAL  16   8.350   3.313  -4.490
  121   HG23  VAL  16          2HG2      VAL  16   7.171   2.762  -5.679
  122    H    ILE  17           H        ILE  17   4.328   6.133  -6.523
  123    HA   ILE  17           HA       ILE  17   3.394   8.169  -4.780
  124    HB   ILE  17           HB       ILE  17   2.614   7.706  -7.703
  125   HG12  ILE  17          2HG1      ILE  17   4.787   9.515  -6.526
  126   HG13  ILE  17          3HG1      ILE  17   5.056   8.017  -7.410
  127   HG21  ILE  17          1HG2      ILE  17   2.286  10.232  -6.032
  128   HG22  ILE  17          2HG2      ILE  17   0.986   9.182  -6.600
  129   HG23  ILE  17          3HG2      ILE  17   1.950  10.092  -7.760
  130   HD11  ILE  17          3HD1      ILE  17   3.887  10.564  -8.531
  131   HD12  ILE  17          1HD1      ILE  17   4.077   9.049  -9.423
  132   HD13  ILE  17          2HD1      ILE  17   5.496   9.908  -8.827
  133    H    GLU  18           H        GLU  18   1.612   5.689  -6.642
  134    HA   GLU  18           HA       GLU  18  -1.010   6.355  -5.807
  135    HB2  GLU  18           2HB      GLU  18   0.089   3.691  -6.808
  136    HB3  GLU  18           3HB      GLU  18  -1.619   4.115  -6.718
  137    HG2  GLU  18           2HG      GLU  18   0.431   5.544  -8.446
  138    HG3  GLU  18           3HG      GLU  18  -0.642   4.270  -9.016
  139    H    LEU  19           H        LEU  19   1.362   4.054  -4.511
  140    HA   LEU  19           HA       LEU  19  -0.096   2.965  -2.355
  141    HB2  LEU  19           2HB      LEU  19   2.873   3.488  -2.746
  142    HB3  LEU  19           3HB      LEU  19   2.248   2.616  -1.361
  143    HG   LEU  19           HG       LEU  19   1.779   1.665  -4.206
  144   HD11  LEU  19          1HD1      LEU  19   4.060   0.863  -2.382
  145   HD12  LEU  19          2HD1      LEU  19   4.187   1.781  -3.884
  146   HD13  LEU  19          3HD1      LEU  19   3.645   0.110  -3.926
  147   HD21  LEU  19          3HD2      LEU  19   0.266   0.724  -2.530
  148   HD22  LEU  19          1HD2      LEU  19   1.637   0.205  -1.546
  149   HD23  LEU  19          2HD2      LEU  19   1.363  -0.507  -3.139
  150    H    GLU  20           H        GLU  20   2.009   5.881  -2.501
  151    HA   GLU  20           HA       GLU  20   1.827   6.652   0.211
  152    HB2  GLU  20           2HB      GLU  20   2.616   8.170  -2.297
  153    HB3  GLU  20           3HB      GLU  20   2.592   8.962  -0.725
  154    HG2  GLU  20           2HG      GLU  20   4.285   7.411   0.121
  155    HG3  GLU  20           3HG      GLU  20   4.263   6.515  -1.397
  156    H    ARG  21           H        ARG  21  -0.203   7.406  -2.575
  157    HA   ARG  21           HA       ARG  21  -1.898   9.345  -1.467
  158    HB2  ARG  21           2HB      ARG  21  -2.538   7.115  -3.443
  159    HB3  ARG  21           3HB      ARG  21  -3.641   8.437  -3.065
  160    HG2  ARG  21           2HG      ARG  21  -2.076  10.065  -3.973
  161    HG3  ARG  21           3HG      ARG  21  -0.871   8.806  -4.247
  162    HD2  ARG  21           2HD      ARG  21  -1.984   9.369  -6.339
  163    HD3  ARG  21           3HD      ARG  21  -2.386   7.715  -5.868
  164    HE   ARG  21           HE       ARG  21  -4.386   9.427  -4.897
  165   HH11  ARG  21          1HH1      ARG  21  -3.244   8.237  -7.970
  166   HH12  ARG  21          2HH1      ARG  21  -4.788   8.448  -8.727
  167   HH21  ARG  21          1HH2      ARG  21  -6.328   9.675  -5.908
  168   HH22  ARG  21          2HH2      ARG  21  -6.509   9.254  -7.575
  169    H    LYS  22           H        LYS  22  -2.252   5.789  -1.462
  170    HA   LYS  22           HA       LYS  22  -4.608   5.664   0.098
  171    HB2  LYS  22           2HB      LYS  22  -3.610   3.858  -1.429
  172    HB3  LYS  22           3HB      LYS  22  -2.493   3.480  -0.127
  173    HG2  LYS  22           2HG      LYS  22  -4.333   1.912  -0.085
  174    HG3  LYS  22           3HG      LYS  22  -4.425   2.946   1.347
  175    HD2  LYS  22           2HD      LYS  22  -6.149   4.340   0.197
  176    HD3  LYS  22           3HD      LYS  22  -6.079   3.253  -1.191
  177    HE2  LYS  22           2HE      LYS  22  -6.888   1.405   0.220
  178    HE3  LYS  22           3HE      LYS  22  -6.925   2.487   1.616
  179    HZ1  LYS  22           3HZ      LYS  22  -8.499   3.891   0.346
  180    HZ2  LYS  22           1HZ      LYS  22  -9.103   2.354   0.719
  181    HZ3  LYS  22           2HZ      LYS  22  -8.558   2.692  -0.845
  182    H    PHE  23           H        PHE  23  -1.193   5.562   0.947
  183    HA   PHE  23           HA       PHE  23  -1.379   4.998   3.710
  184    HB2  PHE  23           2HB      PHE  23   0.689   4.768   2.318
  185    HB3  PHE  23           3HB      PHE  23   0.784   6.518   2.186
  186    HD1  PHE  23           HD2      PHE  23   0.817   3.731   4.701
  187    HD2  PHE  23           HD1      PHE  23   2.025   7.744   3.824
  188    HE1  PHE  23           HE2      PHE  23   2.187   3.766   6.736
  189    HE2  PHE  23           HE1      PHE  23   3.397   7.770   5.862
  190    HZ   PHE  23           HZ       PHE  23   3.482   5.785   7.320
  191    H    SER  24           H        SER  24  -1.213   8.073   1.909
  192    HA   SER  24           HA       SER  24  -1.224   9.893   4.034
  193    HB2  SER  24           2HB      SER  24  -0.668  10.542   1.728
  194    HB3  SER  24           3HB      SER  24  -2.332  10.265   1.221
  195    HG   SER  24           HG       SER  24  -1.263  12.299   2.843
  196    H    HIS  25           H        HIS  25  -3.971   8.220   2.482
  197    HA   HIS  25           HA       HIS  25  -5.963   9.642   4.007
  198    HB2  HIS  25           2HB      HIS  25  -6.047   7.153   2.261
  199    HB3  HIS  25           3HB      HIS  25  -7.460   7.702   3.161
  200    HD1  HIS  25           HD1      HIS  25  -8.639   9.847   2.319
  201    HD2  HIS  25           HD2      HIS  25  -5.412   8.722  -0.010
  202    HE1  HIS  25           HE1      HIS  25  -8.822  11.205   0.229
  203    HE2  HIS  25           HE2      HIS  25  -6.724  10.667  -1.051
  204    H    GLN  26           H        GLN  26  -4.391   6.435   4.290
  205    HA   GLN  26           HA       GLN  26  -4.997   6.249   7.130
  206    HB2  GLN  26           2HB      GLN  26  -6.215   4.094   6.961
  207    HB3  GLN  26           3HB      GLN  26  -7.089   5.414   6.184
  208    HG2  GLN  26           2HG      GLN  26  -6.285   4.624   3.966
  209    HG3  GLN  26           3HG      GLN  26  -5.449   3.290   4.768
  210   HE21  GLN  26          1HE2      GLN  26  -6.700   1.613   5.669
  211   HE22  GLN  26          2HE2      GLN  26  -8.342   1.357   5.218
  212    H    LYS  27           H        LYS  27  -3.701   4.799   8.224
  213    HA   LYS  27           HA       LYS  27  -1.193   4.137   6.876
  214    HB2  LYS  27           2HB      LYS  27  -1.943   4.063   9.826
  215    HB3  LYS  27           3HB      LYS  27  -0.308   3.963   9.170
  216    HG2  LYS  27           2HG      LYS  27  -2.178   6.352   8.992
  217    HG3  LYS  27           3HG      LYS  27  -0.752   6.210  10.022
  218    HD2  LYS  27           2HD      LYS  27   0.731   6.252   8.137
  219    HD3  LYS  27           3HD      LYS  27  -0.586   6.039   6.985
  220    HE2  LYS  27           2HE      LYS  27   0.259   8.353   7.006
  221    HE3  LYS  27           3HE      LYS  27  -1.432   8.277   7.502
  222    HZ1  LYS  27           3HZ      LYS  27  -0.757   8.487   9.791
  223    HZ2  LYS  27           1HZ      LYS  27  -0.103   9.760   8.892
  224    HZ3  LYS  27           2HZ      LYS  27   0.875   8.465   9.357
  225    H    TYR  28           H        TYR  28  -3.935   2.388   8.011
  226    HA   TYR  28           HA       TYR  28  -2.556  -0.189   7.552
  227    HB2  TYR  28           2HB      TYR  28  -4.482   0.444   9.834
  228    HB3  TYR  28           3HB      TYR  28  -4.011  -1.193   9.384
  229    HD1  TYR  28           HD2      TYR  28  -1.450  -1.732   9.413
  230    HD2  TYR  28           HD1      TYR  28  -3.156   1.627  11.433
  231    HE1  TYR  28           HE2      TYR  28   0.513  -1.619  10.876
  232    HE2  TYR  28           HE1      TYR  28  -1.198   1.742  12.900
  233    HH   TYR  28           HH       TYR  28   1.669  -0.017  12.299
  234    H    LEU  29           H        LEU  29  -3.556  -1.408   6.070
  235    HA   LEU  29           HA       LEU  29  -6.292  -0.722   5.189
  236    HB2  LEU  29           2HB      LEU  29  -4.202  -2.479   3.851
  237    HB3  LEU  29           3HB      LEU  29  -5.744  -1.997   3.157
  238    HG   LEU  29           HG       LEU  29  -3.329  -0.226   3.692
  239   HD11  LEU  29          1HD1      LEU  29  -3.338   0.125   1.272
  240   HD12  LEU  29          2HD1      LEU  29  -4.715  -0.967   1.102
  241   HD13  LEU  29          3HD1      LEU  29  -3.162  -1.583   1.670
  242   HD21  LEU  29          3HD2      LEU  29  -6.080   0.626   2.747
  243   HD22  LEU  29          1HD2      LEU  29  -4.638   1.644   2.779
  244   HD23  LEU  29          2HD2      LEU  29  -5.320   1.045   4.285
  245    H    SER  30           H        SER  30  -7.973  -2.144   5.380
  246    HA   SER  30           HA       SER  30  -7.688  -4.674   6.770
  247    HB2  SER  30           2HB      SER  30 -10.101  -3.407   5.409
  248    HB3  SER  30           3HB      SER  30 -10.160  -4.870   6.394
  249    HG   SER  30           HG       SER  30 -10.323  -3.612   8.056
  250    H    ALA  31           H        ALA  31  -8.915  -6.636   5.671
  251    HA   ALA  31           HA       ALA  31  -7.388  -7.620   3.610
  252    HB1  ALA  31           3HB      ALA  31  -8.725  -9.032   5.093
  253    HB2  ALA  31           1HB      ALA  31  -8.977  -9.449   3.406
  254    HB3  ALA  31           2HB      ALA  31 -10.205  -8.518   4.274
  255    HA   PRO  32           HA       PRO  32 -10.769  -6.463   0.195
  256    HB2  PRO  32           2HB      PRO  32 -12.270  -4.176   0.749
  257    HB3  PRO  32           3HB      PRO  32 -12.845  -5.838   1.006
  258    HG2  PRO  32           2HG      PRO  32 -11.626  -3.934   2.991
  259    HG3  PRO  32           3HG      PRO  32 -13.065  -4.969   3.168
  260    HD2  PRO  32           2HD      PRO  32 -10.727  -5.712   4.234
  261    HD3  PRO  32           3HD      PRO  32 -11.783  -6.921   3.469
  262    H    GLU  33           H        GLU  33  -9.620  -3.597   2.095
  263    HA   GLU  33           HA       GLU  33  -9.131  -1.971  -0.215
  264    HB2  GLU  33           2HB      GLU  33  -8.325  -1.615   2.695
  265    HB3  GLU  33           3HB      GLU  33  -8.104  -0.375   1.463
  266    HG2  GLU  33           2HG      GLU  33 -10.781  -1.550   2.299
  267    HG3  GLU  33           3HG      GLU  33 -10.124  -0.021   2.881
  268    H    ARG  34           H        ARG  34  -7.067  -3.997   1.795
  269    HA   ARG  34           HA       ARG  34  -4.537  -3.190   0.756
  270    HB2  ARG  34           2HB      ARG  34  -4.888  -4.378   2.925
  271    HB3  ARG  34           3HB      ARG  34  -5.364  -5.826   2.045
  272    HG2  ARG  34           2HG      ARG  34  -3.090  -5.987   1.087
  273    HG3  ARG  34           3HG      ARG  34  -2.617  -4.526   1.963
  274    HD2  ARG  34           2HD      ARG  34  -1.891  -6.620   3.105
  275    HD3  ARG  34           3HD      ARG  34  -2.970  -5.632   4.102
  276    HE   ARG  34           HE       ARG  34  -4.048  -7.883   2.525
  277   HH11  ARG  34          1HH1      ARG  34  -3.487  -6.466   5.640
  278   HH12  ARG  34          2HH1      ARG  34  -4.527  -7.586   6.443
  279   HH21  ARG  34          1HH2      ARG  34  -5.399  -9.268   3.568
  280   HH22  ARG  34          2HH2      ARG  34  -5.597  -9.156   5.285
  281    H    ALA  35           H        ALA  35  -6.761  -5.853  -0.016
  282    HA   ALA  35           HA       ALA  35  -5.313  -7.039  -2.146
  283    HB1  ALA  35           3HB      ALA  35  -7.105  -8.216  -0.936
  284    HB2  ALA  35           1HB      ALA  35  -7.430  -8.191  -2.670
  285    HB3  ALA  35           2HB      ALA  35  -8.302  -7.096  -1.589
  286    H    HIS  36           H        HIS  36  -7.696  -4.438  -2.010
  287    HA   HIS  36           HA       HIS  36  -8.165  -4.113  -4.780
  288    HB2  HIS  36           2HB      HIS  36  -9.645  -3.198  -2.993
  289    HB3  HIS  36           3HB      HIS  36  -8.402  -2.029  -2.563
  290    HD1  HIS  36           HD1      HIS  36 -10.838  -2.844  -5.332
  291    HD2  HIS  36           HD2      HIS  36  -8.316   0.247  -4.180
  292    HE1  HIS  36           HE1      HIS  36 -11.386  -0.926  -6.849
  293    HE2  HIS  36           HE2      HIS  36  -9.993   0.977  -5.987
  294    H    LEU  37           H        LEU  37  -5.950  -2.395  -2.535
  295    HA   LEU  37           HA       LEU  37  -4.807  -0.645  -4.474
  296    HB2  LEU  37           2HB      LEU  37  -4.722  -0.266  -2.011
  297    HB3  LEU  37           3HB      LEU  37  -3.640  -1.640  -1.842
  298    HG   LEU  37           HG       LEU  37  -1.933  -0.418  -3.233
  299   HD11  LEU  37          1HD1      LEU  37  -3.413   1.057  -4.496
  300   HD12  LEU  37          2HD1      LEU  37  -2.158   1.974  -3.669
  301   HD13  LEU  37          3HD1      LEU  37  -3.807   1.958  -3.027
  302   HD21  LEU  37          3HD2      LEU  37  -1.782  -0.380  -0.807
  303   HD22  LEU  37          1HD2      LEU  37  -2.823   1.041  -0.728
  304   HD23  LEU  37          2HD2      LEU  37  -1.229   1.146  -1.482
  305    H    ALA  38           H        ALA  38  -3.940  -3.870  -3.309
  306    HA   ALA  38           HA       ALA  38  -1.459  -4.199  -4.601
  307    HB1  ALA  38           3HB      ALA  38  -2.223  -5.626  -2.764
  308    HB2  ALA  38           1HB      ALA  38  -1.763  -6.595  -4.164
  309    HB3  ALA  38           2HB      ALA  38  -3.470  -6.321  -3.800
  310    H    LYS  39           H        LYS  39  -4.740  -5.309  -5.726
  311    HA   LYS  39           HA       LYS  39  -3.854  -6.451  -8.155
  312    HB2  LYS  39           2HB      LYS  39  -6.220  -6.430  -8.894
  313    HB3  LYS  39           3HB      LYS  39  -6.045  -7.048  -7.258
  314    HG2  LYS  39           2HG      LYS  39  -6.912  -5.006  -6.305
  315    HG3  LYS  39           3HG      LYS  39  -6.878  -4.196  -7.870
  316    HD2  LYS  39           2HD      LYS  39  -8.656  -6.577  -7.198
  317    HD3  LYS  39           3HD      LYS  39  -9.172  -4.889  -7.146
  318    HE2  LYS  39           2HE      LYS  39  -8.587  -4.700  -9.584
  319    HE3  LYS  39           3HE      LYS  39  -8.265  -6.435  -9.595
  320    HZ1  LYS  39           3HZ      LYS  39 -10.506  -5.841 -10.380
  321    HZ2  LYS  39           1HZ      LYS  39 -10.870  -5.216  -8.850
  322    HZ3  LYS  39           2HZ      LYS  39 -10.540  -6.861  -9.038
  323    H    ASN  40           H        ASN  40  -4.990  -3.165  -7.449
  324    HA   ASN  40           HA       ASN  40  -4.996  -2.017  -9.983
  325    HB2  ASN  40           2HB      ASN  40  -4.299  -0.815  -7.272
  326    HB3  ASN  40           3HB      ASN  40  -4.417   0.161  -8.734
  327   HD21  ASN  40          1HD2      ASN  40  -6.121   1.337  -7.694
  328   HD22  ASN  40          2HD2      ASN  40  -7.716   0.686  -7.607
  329    H    LEU  41           H        LEU  41  -2.257  -2.497  -7.779
  330    HA   LEU  41           HA       LEU  41  -0.357  -1.357  -9.761
  331    HB2  LEU  41           2HB      LEU  41  -0.064  -1.850  -6.772
  332    HB3  LEU  41           3HB      LEU  41   1.170  -1.130  -7.801
  333    HG   LEU  41           HG       LEU  41  -1.576   0.094  -7.284
  334   HD11  LEU  41          1HD1      LEU  41   1.091   0.900  -6.096
  335   HD12  LEU  41          2HD1      LEU  41  -0.241   0.119  -5.239
  336   HD13  LEU  41          3HD1      LEU  41  -0.447   1.744  -5.886
  337   HD21  LEU  41          3HD2      LEU  41   0.838   1.272  -8.705
  338   HD22  LEU  41          1HD2      LEU  41  -0.690   2.094  -8.379
  339   HD23  LEU  41          2HD2      LEU  41  -0.654   0.717  -9.474
  340    H    LYS  42           H        LYS  42  -1.556  -4.286  -9.322
  341    HA   LYS  42           HA       LYS  42  -0.965  -6.436  -9.535
  342    HB2  LYS  42           2HB      LYS  42   1.212  -5.098 -11.168
  343    HB3  LYS  42           3HB      LYS  42   1.086  -6.848 -11.075
  344    HG2  LYS  42           2HG      LYS  42   0.018  -6.134 -13.091
  345    HG3  LYS  42           3HG      LYS  42  -1.226  -6.710 -11.989
  346    HD2  LYS  42           2HD      LYS  42  -1.838  -4.381 -11.445
  347    HD3  LYS  42           3HD      LYS  42  -0.544  -3.784 -12.487
  348    HE2  LYS  42           2HE      LYS  42  -1.660  -4.790 -14.444
  349    HE3  LYS  42           3HE      LYS  42  -2.958  -5.379 -13.403
  350    HZ1  LYS  42           3HZ      LYS  42  -3.664  -3.377 -14.433
  351    HZ2  LYS  42           1HZ      LYS  42  -2.268  -2.554 -13.974
  352    HZ3  LYS  42           2HZ      LYS  42  -3.387  -3.027 -12.805
  353    H    LEU  43           H        LEU  43   0.198  -4.954  -7.199
  354    HA   LEU  43           HA       LEU  43   2.478  -6.598  -6.378
  355    HB2  LEU  43           2HB      LEU  43   0.799  -4.537  -4.872
  356    HB3  LEU  43           3HB      LEU  43   2.236  -5.317  -4.221
  357    HG   LEU  43           HG       LEU  43   2.215  -3.503  -6.665
  358   HD11  LEU  43          1HD1      LEU  43   3.267  -1.802  -5.256
  359   HD12  LEU  43          2HD1      LEU  43   3.072  -2.836  -3.839
  360   HD13  LEU  43          3HD1      LEU  43   1.651  -2.213  -4.684
  361   HD21  LEU  43          3HD2      LEU  43   4.554  -4.682  -5.121
  362   HD22  LEU  43          1HD2      LEU  43   4.667  -3.514  -6.442
  363   HD23  LEU  43          2HD2      LEU  43   4.035  -5.128  -6.750
  364    H    THR  44           H        THR  44   2.155  -7.552  -4.011
  365    HA   THR  44           HA       THR  44  -0.449  -8.974  -3.831
  366    HB   THR  44           HB       THR  44   0.683 -10.694  -2.457
  367    HG1  THR  44           HG1      THR  44   3.237  -9.760  -3.122
  368   HG21  THR  44          3HG2      THR  44   2.125 -10.230  -5.094
  369   HG22  THR  44          1HG2      THR  44   0.575 -11.055  -4.899
  370   HG23  THR  44          2HG2      THR  44   2.040 -11.758  -4.215
  371    H    GLU  45           H        GLU  45  -1.248  -9.369  -1.667
  372    HA   GLU  45           HA       GLU  45  -1.557  -7.108  -0.071
  373    HB2  GLU  45           2HB      GLU  45  -1.937 -10.037   0.645
  374    HB3  GLU  45           3HB      GLU  45  -2.504  -8.701   1.648
  375    HG2  GLU  45           2HG      GLU  45  -3.941  -7.922  -0.218
  376    HG3  GLU  45           3HG      GLU  45  -3.393  -9.289  -1.194
  377    H    THR  46           H        THR  46   0.811  -9.744   0.307
  378    HA   THR  46           HA       THR  46   1.925  -9.006   2.782
  379    HB   THR  46           HB       THR  46   3.369 -10.330   0.435
  380    HG1  THR  46           HG1      THR  46   1.903 -11.825   0.830
  381   HG21  THR  46          3HG2      THR  46   4.789 -11.371   2.183
  382   HG22  THR  46          1HG2      THR  46   3.946 -10.455   3.425
  383   HG23  THR  46          2HG2      THR  46   4.931  -9.611   2.226
  384    H    GLN  47           H        GLN  47   2.937  -8.113  -0.538
  385    HA   GLN  47           HA       GLN  47   5.161  -6.507   0.092
  386    HB2  GLN  47           2HB      GLN  47   3.290  -6.385  -2.310
  387    HB3  GLN  47           3HB      GLN  47   4.843  -5.557  -2.222
  388    HG2  GLN  47           2HG      GLN  47   6.035  -7.669  -2.141
  389    HG3  GLN  47           3HG      GLN  47   4.523  -8.571  -2.032
  390   HE21  GLN  47          1HE2      GLN  47   6.613  -6.759  -4.165
  391   HE22  GLN  47          2HE2      GLN  47   5.876  -7.273  -5.632
  392    H    VAL  48           H        VAL  48   1.792  -5.560  -0.592
  393    HA   VAL  48           HA       VAL  48   1.976  -2.786  -0.215
  394    HB   VAL  48           HB       VAL  48  -0.386  -4.689   0.135
  395   HG11  VAL  48          1HG1      VAL  48  -0.495  -1.648  -0.005
  396   HG12  VAL  48          2HG1      VAL  48  -0.892  -2.644   1.395
  397   HG13  VAL  48          3HG1      VAL  48  -1.892  -2.730  -0.053
  398   HG21  VAL  48          3HG2      VAL  48  -1.052  -3.905  -2.113
  399   HG22  VAL  48          1HG2      VAL  48   0.559  -4.622  -2.140
  400   HG23  VAL  48          2HG2      VAL  48   0.376  -2.866  -2.189
  401    H    LYS  49           H        LYS  49   1.019  -5.312   2.149
  402    HA   LYS  49           HA       LYS  49   0.417  -3.626   4.332
  403    HB2  LYS  49           2HB      LYS  49  -0.307  -5.990   4.141
  404    HB3  LYS  49           3HB      LYS  49   1.356  -6.523   4.340
  405    HG2  LYS  49           2HG      LYS  49   1.355  -5.543   6.642
  406    HG3  LYS  49           3HG      LYS  49  -0.340  -5.095   6.423
  407    HD2  LYS  49           2HD      LYS  49  -0.165  -7.193   7.693
  408    HD3  LYS  49           3HD      LYS  49  -0.946  -7.477   6.134
  409    HE2  LYS  49           2HE      LYS  49   1.240  -8.298   5.233
  410    HE3  LYS  49           3HE      LYS  49   1.950  -8.081   6.836
  411    HZ1  LYS  49           3HZ      LYS  49   1.245 -10.381   6.356
  412    HZ2  LYS  49           1HZ      LYS  49  -0.357  -9.854   6.252
  413    HZ3  LYS  49           2HZ      LYS  49   0.476  -9.735   7.717
  414    H    ILE  50           H        ILE  50   3.386  -5.474   3.610
  415    HA   ILE  50           HA       ILE  50   4.979  -4.595   5.753
  416    HB   ILE  50           HB       ILE  50   5.709  -5.681   3.000
  417   HG12  ILE  50          2HG1      ILE  50   5.796  -6.910   5.806
  418   HG13  ILE  50          3HG1      ILE  50   4.635  -7.285   4.536
  419   HG21  ILE  50          1HG2      ILE  50   8.049  -5.964   3.778
  420   HG22  ILE  50          2HG2      ILE  50   7.663  -5.078   5.256
  421   HG23  ILE  50          3HG2      ILE  50   7.589  -4.263   3.696
  422   HD11  ILE  50          3HD1      ILE  50   6.273  -9.035   4.737
  423   HD12  ILE  50          1HD1      ILE  50   7.590  -7.890   4.484
  424   HD13  ILE  50          2HD1      ILE  50   6.451  -8.231   3.177
  425    H    TRP  51           H        TRP  51   4.480  -3.184   2.494
  426    HA   TRP  51           HA       TRP  51   6.365  -1.114   2.617
  427    HB2  TRP  51           2HB      TRP  51   5.056  -1.734   0.559
  428    HB3  TRP  51           3HB      TRP  51   3.634  -0.978   1.263
  429    HD1  TRP  51           HD1      TRP  51   7.031  -0.073  -0.303
  430    HE1  TRP  51           HE1      TRP  51   7.014   2.406  -0.962
  431    HE3  TRP  51           HE3      TRP  51   2.613   1.294   1.814
  432    HZ2  TRP  51           HZ2      TRP  51   5.365   4.650  -0.619
  433    HZ3  TRP  51           HZ3      TRP  51   1.881   3.626   1.622
  434    HH2  TRP  51           HH2      TRP  51   3.233   5.274   0.430
  435    H    PHE  52           H        PHE  52   2.857  -0.873   3.407
  436    HA   PHE  52           HA       PHE  52   2.767   1.621   4.597
  437    HB2  PHE  52           2HB      PHE  52   1.139  -0.892   5.048
  438    HB3  PHE  52           3HB      PHE  52   0.841   0.513   6.065
  439    HD1  PHE  52           HD1      PHE  52   1.257  -0.248   2.391
  440    HD2  PHE  52           HD2      PHE  52  -0.878   1.954   5.361
  441    HE1  PHE  52           HE1      PHE  52  -0.159   0.730   0.653
  442    HE2  PHE  52           HE2      PHE  52  -2.293   2.927   3.613
  443    HZ   PHE  52           HZ       PHE  52  -1.931   2.323   1.256
  444    H    GLN  53           H        GLN  53   3.695  -1.446   6.166
  445    HA   GLN  53           HA       GLN  53   4.069  -0.478   8.798
  446    HB2  GLN  53           2HB      GLN  53   3.981  -2.905   8.176
  447    HB3  GLN  53           3HB      GLN  53   5.561  -2.753   7.414
  448    HG2  GLN  53           2HG      GLN  53   6.486  -2.072   9.677
  449    HG3  GLN  53           3HG      GLN  53   4.918  -2.471  10.371
  450   HE21  GLN  53          1HE2      GLN  53   4.576  -4.849   8.587
  451   HE22  GLN  53          2HE2      GLN  53   5.649  -6.038   9.218
  452    H    ASN  54           H        ASN  54   6.443  -0.809   6.109
  453    HA   ASN  54           HA       ASN  54   8.700   0.151   7.533
  454    HB2  ASN  54           2HB      ASN  54   8.124  -0.231   4.588
  455    HB3  ASN  54           3HB      ASN  54   9.585   0.618   5.071
  456   HD21  ASN  54          1HD2      ASN  54   8.062  -2.459   4.840
  457   HD22  ASN  54          2HD2      ASN  54   9.386  -3.393   5.421
  458    H    ARG  55           H        ARG  55   6.404   1.844   5.381
  459    HA   ARG  55           HA       ARG  55   7.626   4.365   5.435
  460    HB2  ARG  55           2HB      ARG  55   4.656   3.793   5.187
  461    HB3  ARG  55           3HB      ARG  55   5.466   5.288   4.718
  462    HG2  ARG  55           2HG      ARG  55   5.725   2.562   3.440
  463    HG3  ARG  55           3HG      ARG  55   5.029   4.021   2.745
  464    HD2  ARG  55           2HD      ARG  55   7.963   3.616   3.426
  465    HD3  ARG  55           3HD      ARG  55   7.249   3.513   1.811
  466    HE   ARG  55           HE       ARG  55   6.729   6.030   3.097
  467   HH11  ARG  55          1HH1      ARG  55   9.073   4.305   1.219
  468   HH12  ARG  55          2HH1      ARG  55   9.806   5.751   0.619
  469   HH21  ARG  55          1HH2      ARG  55   7.710   7.873   2.339
  470   HH22  ARG  55          2HH2      ARG  55   9.049   7.744   1.252
  471    H    ARG  56           H        ARG  56   5.185   2.958   7.654
  472    HA   ARG  56           HA       ARG  56   4.953   5.170   9.411
  473    HB2  ARG  56           2HB      ARG  56   4.577   2.185   9.858
  474    HB3  ARG  56           3HB      ARG  56   4.301   3.368  11.136
  475    HG2  ARG  56           2HG      ARG  56   2.583   4.468   9.681
  476    HG3  ARG  56           3HG      ARG  56   2.803   3.170   8.502
  477    HD2  ARG  56           2HD      ARG  56   0.841   2.808  10.004
  478    HD3  ARG  56           3HD      ARG  56   2.035   1.513  10.102
  479    HE   ARG  56           HE       ARG  56   2.581   2.165  12.266
  480   HH11  ARG  56          1HH1      ARG  56   0.313   4.460  10.984
  481   HH12  ARG  56          2HH1      ARG  56  -0.046   5.112  12.540
  482   HH21  ARG  56          1HH2      ARG  56   2.119   3.052  14.226
  483   HH22  ARG  56          2HH2      ARG  56   0.949   4.319  14.347
  484    H    TYR  57           H        TYR  57   7.219   2.441   9.332
  485    HA   TYR  57           HA       TYR  57   8.723   3.032  11.642
  486    HB2  TYR  57           2HB      TYR  57   8.826   0.852  10.530
  487    HB3  TYR  57           3HB      TYR  57   9.496   1.584   9.081
  488    HD1  TYR  57           HD1      TYR  57  10.269   1.087  12.738
  489    HD2  TYR  57           HD2      TYR  57  11.851   1.581   8.790
  490    HE1  TYR  57           HE1      TYR  57  12.532   0.602  13.574
  491    HE2  TYR  57           HE2      TYR  57  14.102   1.106   9.630
  492    HH   TYR  57           HH       TYR  57  14.693  -0.110  12.800
  493    H    LYS  58           H        LYS  58   8.765   4.405   8.424
  494    HA   LYS  58           HA       LYS  58  11.291   5.843   8.769
  495    HB2  LYS  58           2HB      LYS  58   9.265   5.777   6.499
  496    HB3  LYS  58           3HB      LYS  58  10.742   6.739   6.462
  497    HG2  LYS  58           2HG      LYS  58  12.104   4.715   6.602
  498    HG3  LYS  58           3HG      LYS  58  10.656   3.719   6.746
  499    HD2  LYS  58           2HD      LYS  58   9.968   4.376   4.457
  500    HD3  LYS  58           3HD      LYS  58  11.399   5.406   4.317
  501    HE2  LYS  58           2HE      LYS  58  11.403   2.382   4.655
  502    HE3  LYS  58           3HE      LYS  58  11.745   3.257   3.162
  503    HZ1  LYS  58           3HZ      LYS  58  13.771   2.549   4.278
  504    HZ2  LYS  58           1HZ      LYS  58  13.350   3.431   5.658
  505    HZ3  LYS  58           2HZ      LYS  58  13.684   4.234   4.208
  506    H    THR  59           H        THR  59   7.877   6.473   9.300
  507    HA   THR  59           HA       THR  59   8.041   9.369   9.047
  508    HB   THR  59           HB       THR  59   5.731   9.417  10.024
  509    HG1  THR  59           HG1      THR  59   6.327   7.063  10.982
  510   HG21  THR  59          3HG2      THR  59   4.573   8.276   8.153
  511   HG22  THR  59          1HG2      THR  59   6.070   7.467   7.726
  512   HG23  THR  59          2HG2      THR  59   5.957   9.223   7.595
  513    H    LYS  60           H        LYS  60   7.011  10.643  11.059
  514    HA   LYS  60           HA       LYS  60   9.078  10.675  13.016
  515    HB2  LYS  60           2HB      LYS  60   6.433  12.185  13.061
  516    HB3  LYS  60           3HB      LYS  60   7.857  12.573  14.024
  517    HG2  LYS  60           2HG      LYS  60   7.668  12.711  10.995
  518    HG3  LYS  60           3HG      LYS  60   7.591  14.090  12.089
  519    HD2  LYS  60           2HD      LYS  60  10.025  12.268  12.007
  520    HD3  LYS  60           3HD      LYS  60   9.830  13.587  10.858
  521    HE2  LYS  60           2HE      LYS  60  11.237  14.339  12.673
  522    HE3  LYS  60           3HE      LYS  60   9.699  15.190  12.770
  523    HZ1  LYS  60           3HZ      LYS  60  10.438  12.828  14.418
  524    HZ2  LYS  60           1HZ      LYS  60   9.025  13.742  14.559
  525    HZ3  LYS  60           2HZ      LYS  60  10.519  14.434  14.937
  526    H    ARG  61           H        ARG  61   5.733   9.441  13.135
  527    HA   ARG  61           HA       ARG  61   6.289   8.239  15.788
  528    HB2  ARG  61           2HB      ARG  61   3.678   8.527  14.255
  529    HB3  ARG  61           3HB      ARG  61   3.840   7.606  15.750
  530    HG2  ARG  61           2HG      ARG  61   4.580   9.705  16.904
  531    HG3  ARG  61           3HG      ARG  61   4.263  10.594  15.410
  532    HD2  ARG  61           2HD      ARG  61   2.229   9.068  17.080
  533    HD3  ARG  61           3HD      ARG  61   2.363  10.825  16.925
  534    HE   ARG  61           HE       ARG  61   1.966  10.235  14.402
  535   HH11  ARG  61          1HH1      ARG  61   0.340   8.788  17.118
  536   HH12  ARG  61          2HH1      ARG  61  -1.089   8.457  16.204
  537   HH21  ARG  61          1HH2      ARG  61   0.123   9.787  13.283
  538   HH22  ARG  61          2HH2      ARG  61  -1.219   9.033  14.074
  539    H    LYS  62           H        LYS  62   7.099   6.289  15.773
  540    HA   LYS  62           HA       LYS  62   6.430   4.277  13.742
  541    HB2  LYS  62           2HB      LYS  62   8.803   3.793  13.289
  542    HB3  LYS  62           3HB      LYS  62   8.393   5.430  12.811
  543    HG2  LYS  62           2HG      LYS  62   9.779   4.820  15.442
  544    HG3  LYS  62           3HG      LYS  62  10.668   5.039  13.934
  545    HD2  LYS  62           2HD      LYS  62   9.667   7.324  13.720
  546    HD3  LYS  62           3HD      LYS  62   8.882   7.104  15.286
  547    HE2  LYS  62           2HE      LYS  62  10.939   8.434  15.498
  548    HE3  LYS  62           3HE      LYS  62  11.092   6.906  16.365
  549    HZ1  LYS  62           3HZ      LYS  62  12.162   7.415  13.642
  550    HZ2  LYS  62           1HZ      LYS  62  12.387   6.016  14.558
  551    HZ3  LYS  62           2HZ      LYS  62  13.076   7.474  15.057
  552    H    GLN  63           H        GLN  63   7.821   2.206  14.273
  553    HA   GLN  63           HA       GLN  63   7.319   1.263  16.913
  554    HB2  GLN  63           2HB      GLN  63   9.064   0.169  14.675
  555    HB3  GLN  63           3HB      GLN  63   8.727  -0.707  16.166
  556    HG2  GLN  63           2HG      GLN  63   6.361  -0.834  15.628
  557    HG3  GLN  63           3HG      GLN  63   6.584   0.203  14.217
  558   HE21  GLN  63          1HE2      GLN  63   5.522  -2.517  14.380
  559   HE22  GLN  63          2HE2      GLN  63   6.493  -3.468  13.320
  560    H    LEU  64           H        LEU  64   9.141   0.191  18.212
  561    HA   LEU  64           HA       LEU  64  10.783   2.189  19.343
  562    HB2  LEU  64           2HB      LEU  64   9.888   0.289  20.614
  563    HB3  LEU  64           3HB      LEU  64  10.845  -0.835  19.666
  564    HG   LEU  64           HG       LEU  64  12.931   0.061  20.662
  565   HD11  LEU  64          1HD1      LEU  64  11.155   1.897  22.294
  566   HD12  LEU  64          2HD1      LEU  64  12.298   2.371  21.037
  567   HD13  LEU  64          3HD1      LEU  64  12.890   1.661  22.535
  568   HD21  LEU  64          3HD2      LEU  64  10.904  -0.727  22.781
  569   HD22  LEU  64          1HD2      LEU  64  12.663  -0.821  22.931
  570   HD23  LEU  64          2HD2      LEU  64  11.824  -1.833  21.758
  571    H    SER  65           H        SER  65  11.445  -0.030  16.748
  572    HA   SER  65           HA       SER  65  13.208  -0.471  15.389
  573    HB2  SER  65           2HB      SER  65  13.422   2.031  15.221
  574    HB3  SER  65           3HB      SER  65  14.517   2.017  16.600
  575    HG   SER  65           HG       SER  65  15.806   2.015  14.841
  576    H    SER  66           H        SER  66  13.012  -1.773  17.884
  577    HA   SER  66           HA       SER  66  15.610  -2.022  19.145
  578    HB2  SER  66           2HB      SER  66  14.509  -3.757  20.537
  579    HB3  SER  66           3HB      SER  66  13.551  -2.281  20.464
  580    HG   SER  66           HG       SER  66  13.096  -4.689  19.018
  581    H    GLU  67           H        GLU  67  14.876  -2.959  16.200
  582    HA   GLU  67           HA       GLU  67  15.666  -5.715  16.103
  583    HB2  GLU  67           2HB      GLU  67  15.707  -3.680  13.834
  584    HB3  GLU  67           3HB      GLU  67  15.608  -5.436  13.689
  585    HG2  GLU  67           2HG      GLU  67  13.364  -5.383  14.733
  586    HG3  GLU  67           3HG      GLU  67  13.465  -3.630  14.871
  587    H    LEU  68           H        LEU  68  17.653  -5.908  17.160
  588    HA   LEU  68           HA       LEU  68  19.892  -4.116  16.565
  589    HB2  LEU  68           2HB      LEU  68  19.686  -6.413  18.556
  590    HB3  LEU  68           3HB      LEU  68  20.987  -5.232  18.481
  591    HG   LEU  68           HG       LEU  68  18.089  -4.638  19.205
  592   HD11  LEU  68          1HD1      LEU  68  18.898  -4.223  21.469
  593   HD12  LEU  68          2HD1      LEU  68  20.536  -4.674  20.985
  594   HD13  LEU  68          3HD1      LEU  68  19.246  -5.878  20.963
  595   HD21  LEU  68          3HD2      LEU  68  19.090  -2.728  18.051
  596   HD22  LEU  68          1HD2      LEU  68  20.464  -2.750  19.159
  597   HD23  LEU  68          2HD2      LEU  68  18.847  -2.369  19.758
  598    H    GLY  69           H        GLY  69  21.940  -4.785  15.835
  599    HA2  GLY  69           2HA      GLY  69  23.572  -6.348  15.097
  600    HA3  GLY  69           3HA      GLY  69  22.312  -7.535  14.806
  Start of MODEL   15
    1    H1   MET   1           1H       MET   1  29.505 -20.391  -2.184
    2    H2   MET   1           2H       MET   1  28.628 -21.167  -0.967
    3    H3   MET   1           3H       MET   1  28.776 -19.484  -0.959
    4    HA   MET   1           HA       MET   1  27.511 -19.298  -2.969
    5    HB2  MET   1           2HB      MET   1  28.205 -21.430  -3.999
    6    HB3  MET   1           3HB      MET   1  27.318 -22.340  -2.783
    7    HG2  MET   1           2HG      MET   1  25.193 -21.481  -3.649
    8    HG3  MET   1           3HG      MET   1  26.053 -20.481  -4.822
    9    HE1  MET   1           3HE      MET   1  24.356 -23.284  -7.037
   10    HE2  MET   1           1HE      MET   1  24.485 -21.548  -6.746
   11    HE3  MET   1           2HE      MET   1  23.683 -22.584  -5.564
   12    H    GLY   2           H        GLY   2  25.450 -18.589  -2.555
   13    HA2  GLY   2           2HA      GLY   2  23.334 -19.733  -1.278
   14    HA3  GLY   2           3HA      GLY   2  24.271 -19.068   0.054
   15    H    HIS   3           H        HIS   3  25.219 -16.727  -1.237
   16    HA   HIS   3           HA       HIS   3  22.944 -15.012  -0.803
   17    HB2  HIS   3           2HB      HIS   3  25.214 -14.413   0.003
   18    HB3  HIS   3           3HB      HIS   3  25.778 -14.298  -1.660
   19    HD1  HIS   3           HD1      HIS   3  25.587 -12.027  -2.716
   20    HD2  HIS   3           HD2      HIS   3  23.118 -12.377   0.599
   21    HE1  HIS   3           HE1      HIS   3  24.622  -9.745  -2.358
   22    HE2  HIS   3           HE2      HIS   3  23.289  -9.943  -0.237
   23    H    HIS   4           H        HIS   4  21.488 -14.615  -2.344
   24    HA   HIS   4           HA       HIS   4  22.219 -14.407  -5.196
   25    HB2  HIS   4           2HB      HIS   4  19.498 -14.487  -3.816
   26    HB3  HIS   4           3HB      HIS   4  19.735 -14.362  -5.557
   27    HD1  HIS   4           HD1      HIS   4  20.503 -16.496  -6.807
   28    HD2  HIS   4           HD2      HIS   4  19.934 -17.059  -2.727
   29    HE1  HIS   4           HE1      HIS   4  20.500 -18.977  -6.462
   30    HE2  HIS   4           HE2      HIS   4  20.283 -19.286  -3.981
   31    H    HIS   5           H        HIS   5  20.737 -12.603  -6.322
   32    HA   HIS   5           HA       HIS   5  20.643 -10.080  -4.849
   33    HB2  HIS   5           2HB      HIS   5  22.093  -8.889  -6.504
   34    HB3  HIS   5           3HB      HIS   5  22.979 -10.094  -5.585
   35    HD1  HIS   5           HD1      HIS   5  22.139  -9.111  -9.024
   36    HD2  HIS   5           HD2      HIS   5  23.634 -12.477  -7.114
   37    HE1  HIS   5           HE1      HIS   5  23.059 -10.562 -10.842
   38    HE2  HIS   5           HE2      HIS   5  24.000 -12.565  -9.658
   39    H    HIS   6           H        HIS   6  18.718  -9.232  -5.365
   40    HA   HIS   6           HA       HIS   6  17.251 -10.015  -7.731
   41    HB2  HIS   6           2HB      HIS   6  16.547  -7.980  -5.578
   42    HB3  HIS   6           3HB      HIS   6  15.443  -8.587  -6.814
   43    HD1  HIS   6           HD1      HIS   6  16.676  -9.301  -3.450
   44    HD2  HIS   6           HD2      HIS   6  14.885 -11.461  -6.512
   45    HE1  HIS   6           HE1      HIS   6  15.856 -11.416  -2.392
   46    HE2  HIS   6           HE2      HIS   6  14.960 -12.783  -4.300
   47    H    HIS   7           H        HIS   7  16.984  -8.882  -9.598
   48    HA   HIS   7           HA       HIS   7  18.522  -6.476 -10.117
   49    HB2  HIS   7           2HB      HIS   7  16.613  -8.082 -11.867
   50    HB3  HIS   7           3HB      HIS   7  17.499  -6.670 -12.430
   51    HD1  HIS   7           HD1      HIS   7  17.797 -10.279 -12.106
   52    HD2  HIS   7           HD2      HIS   7  20.425  -7.078 -12.356
   53    HE1  HIS   7           HE1      HIS   7  19.992 -11.265 -12.797
   54    HE2  HIS   7           HE2      HIS   7  21.501  -9.290 -13.135
   55    H    HIS   8           H        HIS   8  15.035  -7.239 -10.545
   56    HA   HIS   8           HA       HIS   8  14.365  -4.383 -10.137
   57    HB2  HIS   8           2HB      HIS   8  12.655  -6.617 -11.314
   58    HB3  HIS   8           3HB      HIS   8  12.194  -4.921 -11.198
   59    HD1  HIS   8           HD1      HIS   8  13.512  -7.250 -13.538
   60    HD2  HIS   8           HD2      HIS   8  14.212  -3.236 -12.738
   61    HE1  HIS   8           HE1      HIS   8  14.602  -6.338 -15.593
   62    HE2  HIS   8           HE2      HIS   8  14.855  -3.880 -15.155
   63    H    SER   9           H        SER   9  14.876  -4.835  -7.817
   64    HA   SER   9           HA       SER   9  12.785  -6.172  -6.247
   65    HB2  SER   9           2HB      SER   9  15.100  -6.383  -5.451
   66    HB3  SER   9           3HB      SER   9  15.261  -4.628  -5.366
   67    HG   SER   9           HG       SER   9  13.317  -6.083  -3.884
   68    H    HIS  10           H        HIS  10  13.986  -2.899  -6.864
   69    HA   HIS  10           HA       HIS  10  12.215  -1.496  -5.151
   70    HB2  HIS  10           2HB      HIS  10  14.300  -0.461  -5.842
   71    HB3  HIS  10           3HB      HIS  10  13.870  -0.595  -7.542
   72    HD1  HIS  10           HD1      HIS  10  12.205   1.071  -4.515
   73    HD2  HIS  10           HD2      HIS  10  13.220   1.875  -8.452
   74    HE1  HIS  10           HE1      HIS  10  11.343   3.372  -4.971
   75    HE2  HIS  10           HE2      HIS  10  11.832   3.773  -7.404
   76    H    MET  11           H        MET  11  10.087  -1.163  -5.395
   77    HA   MET  11           HA       MET  11   8.497  -1.674  -7.653
   78    HB2  MET  11           2HB      MET  11   7.978   0.230  -5.325
   79    HB3  MET  11           3HB      MET  11   6.750  -0.292  -6.475
   80    HG2  MET  11           2HG      MET  11   6.928  -2.582  -5.703
   81    HG3  MET  11           3HG      MET  11   8.284  -2.162  -4.651
   82    HE1  MET  11           3HE      MET  11   7.140  -3.180  -2.467
   83    HE2  MET  11           1HE      MET  11   5.807  -3.741  -3.482
   84    HE3  MET  11           2HE      MET  11   5.473  -2.839  -2.004
   85    H    SER  12           H        SER  12   7.342  -0.153  -9.027
   86    HA   SER  12           HA       SER  12   9.103   1.640 -10.398
   87    HB2  SER  12           2HB      SER  12   7.411   0.485 -11.693
   88    HB3  SER  12           3HB      SER  12   6.115   1.137 -10.694
   89    HG   SER  12           HG       SER  12   7.219   2.191 -12.888
   90    H    HIS  13           H        HIS  13   9.031   3.928 -10.556
   91    HA   HIS  13           HA       HIS  13   8.674   5.361  -8.188
   92    HB2  HIS  13           2HB      HIS  13  10.150   5.976 -10.172
   93    HB3  HIS  13           3HB      HIS  13   8.716   6.586 -10.982
   94    HD1  HIS  13           HD1      HIS  13  11.438   7.666  -8.918
   95    HD2  HIS  13           HD2      HIS  13   7.471   8.829  -9.361
   96    HE1  HIS  13           HE1      HIS  13  11.305   9.975  -7.968
   97    HE2  HIS  13           HE2      HIS  13   8.892  10.626  -8.164
   98    H    THR  14           H        THR  14   6.535   5.208 -11.051
   99    HA   THR  14           HA       THR  14   4.496   6.971 -10.123
  100    HB   THR  14           HB       THR  14   4.192   4.704 -12.156
  101    HG1  THR  14           HG1      THR  14   4.610   6.551 -13.644
  102   HG21  THR  14          3HG2      THR  14   2.667   7.325 -11.870
  103   HG22  THR  14          1HG2      THR  14   2.031   5.723 -11.482
  104   HG23  THR  14          2HG2      THR  14   2.438   6.131 -13.149
  105    H    GLN  15           H        GLN  15   5.000   3.497  -9.792
  106    HA   GLN  15           HA       GLN  15   2.506   2.693  -8.721
  107    HB2  GLN  15           2HB      GLN  15   4.218   1.202  -9.728
  108    HB3  GLN  15           3HB      GLN  15   5.290   1.512  -8.372
  109    HG2  GLN  15           2HG      GLN  15   3.761   0.341  -6.862
  110    HG3  GLN  15           3HG      GLN  15   2.615   0.097  -8.187
  111   HE21  GLN  15          1HE2      GLN  15   2.716  -2.132  -8.131
  112   HE22  GLN  15          2HE2      GLN  15   4.108  -3.037  -8.588
  113    H    VAL  16           H        VAL  16   5.549   3.666  -7.140
  114    HA   VAL  16           HA       VAL  16   4.844   3.418  -4.449
  115    HB   VAL  16           HB       VAL  16   6.757   5.436  -5.722
  116   HG11  VAL  16          1HG1      VAL  16   6.573   4.596  -2.794
  117   HG12  VAL  16          2HG1      VAL  16   6.171   6.185  -3.450
  118   HG13  VAL  16          3HG1      VAL  16   7.838   5.613  -3.489
  119   HG21  VAL  16          3HG2      VAL  16   7.340   2.705  -4.488
  120   HG22  VAL  16          1HG2      VAL  16   8.544   3.825  -5.133
  121   HG23  VAL  16          2HG2      VAL  16   7.361   3.086  -6.211
  122    H    ILE  17           H        ILE  17   4.264   6.120  -6.713
  123    HA   ILE  17           HA       ILE  17   3.343   8.096  -4.963
  124    HB   ILE  17           HB       ILE  17   2.405   7.556  -7.821
  125   HG12  ILE  17          2HG1      ILE  17   4.576   9.448  -6.778
  126   HG13  ILE  17          3HG1      ILE  17   4.861   7.930  -7.618
  127   HG21  ILE  17          1HG2      ILE  17   2.091  10.109  -6.184
  128   HG22  ILE  17          2HG2      ILE  17   0.788   9.024  -6.670
  129   HG23  ILE  17          3HG2      ILE  17   1.678   9.930  -7.892
  130   HD11  ILE  17          3HD1      ILE  17   3.568  10.392  -8.794
  131   HD12  ILE  17          1HD1      ILE  17   3.825   8.863  -9.641
  132   HD13  ILE  17          2HD1      ILE  17   5.206   9.811  -9.091
  133    H    GLU  18           H        GLU  18   1.416   5.545  -6.608
  134    HA   GLU  18           HA       GLU  18  -1.105   6.184  -5.489
  135    HB2  GLU  18           2HB      GLU  18   0.048   3.682  -6.735
  136    HB3  GLU  18           3HB      GLU  18  -1.569   3.646  -6.041
  137    HG2  GLU  18           2HG      GLU  18  -0.683   5.544  -8.229
  138    HG3  GLU  18           3HG      GLU  18  -1.528   4.021  -8.498
  139    H    LEU  19           H        LEU  19   1.394   3.894  -4.387
  140    HA   LEU  19           HA       LEU  19   0.113   2.802  -2.141
  141    HB2  LEU  19           2HB      LEU  19   3.037   3.404  -2.703
  142    HB3  LEU  19           3HB      LEU  19   2.522   2.541  -1.265
  143    HG   LEU  19           HG       LEU  19   1.895   1.535  -4.064
  144   HD11  LEU  19          1HD1      LEU  19   4.330   1.682  -3.865
  145   HD12  LEU  19          2HD1      LEU  19   3.791   0.005  -3.882
  146   HD13  LEU  19          3HD1      LEU  19   4.278   0.757  -2.360
  147   HD21  LEU  19          3HD2      LEU  19   0.482   0.615  -2.278
  148   HD22  LEU  19          1HD2      LEU  19   1.913   0.117  -1.373
  149   HD23  LEU  19          2HD2      LEU  19   1.546  -0.624  -2.934
  150    H    GLU  20           H        GLU  20   2.040   5.805  -2.435
  151    HA   GLU  20           HA       GLU  20   1.906   6.623   0.278
  152    HB2  GLU  20           2HB      GLU  20   2.370   8.272  -2.234
  153    HB3  GLU  20           3HB      GLU  20   2.599   8.874  -0.592
  154    HG2  GLU  20           2HG      GLU  20   4.370   7.184  -0.236
  155    HG3  GLU  20           3HG      GLU  20   4.157   6.615  -1.891
  156    H    ARG  21           H        ARG  21  -0.149   7.373  -2.540
  157    HA   ARG  21           HA       ARG  21  -1.755   9.365  -1.323
  158    HB2  ARG  21           2HB      ARG  21  -2.392   7.480  -3.627
  159    HB3  ARG  21           3HB      ARG  21  -3.415   8.836  -3.153
  160    HG2  ARG  21           2HG      ARG  21  -1.540  10.399  -3.644
  161    HG3  ARG  21           3HG      ARG  21  -0.559   9.031  -4.174
  162    HD2  ARG  21           2HD      ARG  21  -1.499  10.119  -6.122
  163    HD3  ARG  21           3HD      ARG  21  -2.268   8.540  -5.937
  164    HE   ARG  21           HE       ARG  21  -3.507  11.130  -5.202
  165   HH11  ARG  21          1HH1      ARG  21  -3.917   7.847  -6.274
  166   HH12  ARG  21          2HH1      ARG  21  -5.624   8.032  -6.458
  167   HH21  ARG  21          1HH2      ARG  21  -5.664  11.307  -5.448
  168   HH22  ARG  21          2HH2      ARG  21  -6.596   9.972  -6.014
  169    H    LYS  22           H        LYS  22  -2.080   5.841  -1.471
  170    HA   LYS  22           HA       LYS  22  -4.595   5.680  -0.111
  171    HB2  LYS  22           2HB      LYS  22  -3.581   3.909  -1.627
  172    HB3  LYS  22           3HB      LYS  22  -2.443   3.532  -0.340
  173    HG2  LYS  22           2HG      LYS  22  -4.241   1.909  -0.346
  174    HG3  LYS  22           3HG      LYS  22  -4.339   2.876   1.127
  175    HD2  LYS  22           2HD      LYS  22  -6.240   4.101   0.314
  176    HD3  LYS  22           3HD      LYS  22  -6.004   3.519  -1.337
  177    HE2  LYS  22           2HE      LYS  22  -6.813   1.781   1.020
  178    HE3  LYS  22           3HE      LYS  22  -7.915   2.413  -0.204
  179    HZ1  LYS  22           3HZ      LYS  22  -6.672   1.183  -1.886
  180    HZ2  LYS  22           1HZ      LYS  22  -7.305   0.151  -0.704
  181    HZ3  LYS  22           2HZ      LYS  22  -5.660   0.540  -0.695
  182    H    PHE  23           H        PHE  23  -1.207   5.378   0.904
  183    HA   PHE  23           HA       PHE  23  -1.550   4.729   3.616
  184    HB2  PHE  23           2HB      PHE  23   0.563   4.427   2.388
  185    HB3  PHE  23           3HB      PHE  23   0.743   6.169   2.224
  186    HD1  PHE  23           HD2      PHE  23   0.424   3.525   4.881
  187    HD2  PHE  23           HD1      PHE  23   2.101   7.294   3.797
  188    HE1  PHE  23           HE2      PHE  23   1.706   3.544   6.964
  189    HE2  PHE  23           HE1      PHE  23   3.383   7.314   5.886
  190    HZ   PHE  23           HZ       PHE  23   3.192   5.442   7.476
  191    H    SER  24           H        SER  24  -1.166   7.904   2.071
  192    HA   SER  24           HA       SER  24  -0.966   9.463   4.423
  193    HB2  SER  24           2HB      SER  24  -1.325  11.411   2.906
  194    HB3  SER  24           3HB      SER  24  -0.125  10.285   2.272
  195    HG   SER  24           HG       SER  24  -1.354   9.932   0.613
  196    H    HIS  25           H        HIS  25  -3.756   8.323   2.564
  197    HA   HIS  25           HA       HIS  25  -5.640   9.982   4.054
  198    HB2  HIS  25           2HB      HIS  25  -5.947   7.939   1.829
  199    HB3  HIS  25           3HB      HIS  25  -7.333   8.659   2.641
  200    HD1  HIS  25           HD1      HIS  25  -8.301  10.394   1.168
  201    HD2  HIS  25           HD2      HIS  25  -4.156  10.392   0.954
  202    HE1  HIS  25           HE1      HIS  25  -7.705  12.250  -0.406
  203    HE2  HIS  25           HE2      HIS  25  -5.201  12.235  -0.508
  204    H    GLN  26           H        GLN  26  -4.479   6.632   4.051
  205    HA   GLN  26           HA       GLN  26  -5.725   6.186   6.657
  206    HB2  GLN  26           2HB      GLN  26  -6.800   4.082   6.092
  207    HB3  GLN  26           3HB      GLN  26  -7.414   5.343   5.029
  208    HG2  GLN  26           2HG      GLN  26  -5.912   4.505   3.219
  209    HG3  GLN  26           3HG      GLN  26  -5.379   3.218   4.302
  210   HE21  GLN  26          1HE2      GLN  26  -6.871   1.552   4.818
  211   HE22  GLN  26          2HE2      GLN  26  -8.271   1.261   3.852
  212    H    LYS  27           H        LYS  27  -4.280   5.354   7.961
  213    HA   LYS  27           HA       LYS  27  -1.686   4.460   7.038
  214    HB2  LYS  27           2HB      LYS  27  -2.897   4.962   9.773
  215    HB3  LYS  27           3HB      LYS  27  -1.219   4.484   9.557
  216    HG2  LYS  27           2HG      LYS  27  -2.537   7.026   8.524
  217    HG3  LYS  27           3HG      LYS  27  -1.389   6.909   9.862
  218    HD2  LYS  27           2HD      LYS  27   0.419   6.329   8.370
  219    HD3  LYS  27           3HD      LYS  27  -0.682   6.106   7.009
  220    HE2  LYS  27           2HE      LYS  27   0.500   8.210   6.753
  221    HE3  LYS  27           3HE      LYS  27  -1.203   8.541   7.066
  222    HZ1  LYS  27           3HZ      LYS  27  -0.547   8.869   9.439
  223    HZ2  LYS  27           1HZ      LYS  27   0.058  10.022   8.360
  224    HZ3  LYS  27           2HZ      LYS  27   1.067   8.800   8.947
  225    H    TYR  28           H        TYR  28  -4.571   2.916   8.175
  226    HA   TYR  28           HA       TYR  28  -3.222   0.264   8.128
  227    HB2  TYR  28           2HB      TYR  28  -5.710   1.146   9.659
  228    HB3  TYR  28           3HB      TYR  28  -5.263  -0.544   9.450
  229    HD1  TYR  28           HD2      TYR  28  -3.138  -1.414  10.494
  230    HD2  TYR  28           HD1      TYR  28  -4.591   2.517  11.330
  231    HE1  TYR  28           HE2      TYR  28  -1.721  -1.309  12.488
  232    HE2  TYR  28           HE1      TYR  28  -3.174   2.617  13.315
  233    HH   TYR  28           HH       TYR  28  -2.122   1.002  14.905
  234    H    LEU  29           H        LEU  29  -3.807  -1.067   6.553
  235    HA   LEU  29           HA       LEU  29  -6.225  -0.609   4.929
  236    HB2  LEU  29           2HB      LEU  29  -3.861  -2.489   4.552
  237    HB3  LEU  29           3HB      LEU  29  -5.228  -2.380   3.451
  238    HG   LEU  29           HG       LEU  29  -3.271  -0.122   4.025
  239   HD11  LEU  29          1HD1      LEU  29  -2.416  -0.517   1.772
  240   HD12  LEU  29          2HD1      LEU  29  -3.492  -1.902   1.588
  241   HD13  LEU  29          3HD1      LEU  29  -2.204  -1.938   2.792
  242   HD21  LEU  29          3HD2      LEU  29  -5.530  -0.279   1.997
  243   HD22  LEU  29          1HD2      LEU  29  -4.356   1.031   2.141
  244   HD23  LEU  29          2HD2      LEU  29  -5.498   0.731   3.445
  245    H    SER  30           H        SER  30  -8.000  -1.825   5.254
  246    HA   SER  30           HA       SER  30  -8.042  -4.199   6.924
  247    HB2  SER  30           2HB      SER  30 -10.187  -2.995   5.115
  248    HB3  SER  30           3HB      SER  30 -10.447  -4.331   6.242
  249    HG   SER  30           HG       SER  30  -9.544  -1.739   6.968
  250    H    ALA  31           H        ALA  31  -9.030  -6.292   5.946
  251    HA   ALA  31           HA       ALA  31  -7.286  -7.400   4.097
  252    HB1  ALA  31           3HB      ALA  31 -10.060  -8.417   4.776
  253    HB2  ALA  31           1HB      ALA  31  -8.589  -8.737   5.695
  254    HB3  ALA  31           2HB      ALA  31  -8.755  -9.361   4.054
  255    HA   PRO  32           HA       PRO  32 -10.554  -6.685   0.455
  256    HB2  PRO  32           2HB      PRO  32 -12.101  -4.341   1.544
  257    HB3  PRO  32           3HB      PRO  32 -12.663  -5.724   0.578
  258    HG2  PRO  32           2HG      PRO  32 -13.258  -5.596   3.157
  259    HG3  PRO  32           3HG      PRO  32 -12.792  -7.148   2.418
  260    HD2  PRO  32           2HD      PRO  32 -11.101  -5.287   4.091
  261    HD3  PRO  32           3HD      PRO  32 -11.258  -7.055   4.180
  262    H    GLU  33           H        GLU  33  -9.654  -3.774   2.413
  263    HA   GLU  33           HA       GLU  33  -9.275  -1.948   0.309
  264    HB2  GLU  33           2HB      GLU  33  -8.014  -2.031   3.084
  265    HB3  GLU  33           3HB      GLU  33  -7.941  -0.634   2.011
  266    HG2  GLU  33           2HG      GLU  33 -10.463  -1.857   3.176
  267    HG3  GLU  33           3HG      GLU  33  -9.677  -0.375   3.729
  268    H    ARG  34           H        ARG  34  -6.955  -4.029   1.962
  269    HA   ARG  34           HA       ARG  34  -4.596  -3.124   0.657
  270    HB2  ARG  34           2HB      ARG  34  -4.743  -4.316   2.881
  271    HB3  ARG  34           3HB      ARG  34  -5.098  -5.807   2.014
  272    HG2  ARG  34           2HG      ARG  34  -2.873  -5.639   0.887
  273    HG3  ARG  34           3HG      ARG  34  -2.536  -4.178   1.825
  274    HD2  ARG  34           2HD      ARG  34  -1.478  -6.159   2.834
  275    HD3  ARG  34           3HD      ARG  34  -2.697  -5.465   3.914
  276    HE   ARG  34           HE       ARG  34  -3.721  -7.540   2.213
  277   HH11  ARG  34          1HH1      ARG  34  -2.255  -6.962   5.292
  278   HH12  ARG  34          2HH1      ARG  34  -2.711  -8.518   5.891
  279   HH21  ARG  34          1HH2      ARG  34  -4.291  -9.457   3.004
  280   HH22  ARG  34          2HH2      ARG  34  -3.856  -9.906   4.617
  281    H    ALA  35           H        ALA  35  -6.880  -5.770   0.045
  282    HA   ALA  35           HA       ALA  35  -5.577  -7.039  -2.113
  283    HB1  ALA  35           3HB      ALA  35  -8.550  -6.870  -1.511
  284    HB2  ALA  35           1HB      ALA  35  -7.428  -8.069  -0.864
  285    HB3  ALA  35           2HB      ALA  35  -7.779  -8.035  -2.594
  286    H    HIS  36           H        HIS  36  -8.037  -4.432  -2.059
  287    HA   HIS  36           HA       HIS  36  -8.368  -4.025  -4.812
  288    HB2  HIS  36           2HB      HIS  36  -8.510  -1.908  -2.617
  289    HB3  HIS  36           3HB      HIS  36  -9.141  -1.721  -4.248
  290    HD1  HIS  36           HD1      HIS  36 -10.609  -4.539  -4.363
  291    HD2  HIS  36           HD2      HIS  36 -10.943  -1.748  -1.302
  292    HE1  HIS  36           HE1      HIS  36 -12.792  -5.020  -3.241
  293    HE2  HIS  36           HE2      HIS  36 -12.995  -3.304  -1.420
  294    H    LEU  37           H        LEU  37  -6.103  -2.384  -2.539
  295    HA   LEU  37           HA       LEU  37  -4.877  -0.688  -4.475
  296    HB2  LEU  37           2HB      LEU  37  -4.779  -0.270  -2.040
  297    HB3  LEU  37           3HB      LEU  37  -3.773  -1.696  -1.827
  298    HG   LEU  37           HG       LEU  37  -1.989  -0.589  -3.241
  299   HD11  LEU  37          1HD1      LEU  37  -2.094   1.826  -3.681
  300   HD12  LEU  37          2HD1      LEU  37  -3.750   1.877  -3.072
  301   HD13  LEU  37          3HD1      LEU  37  -3.373   0.957  -4.529
  302   HD21  LEU  37          3HD2      LEU  37  -1.864  -0.528  -0.799
  303   HD22  LEU  37          1HD2      LEU  37  -2.795   0.967  -0.768
  304   HD23  LEU  37          2HD2      LEU  37  -1.193   0.935  -1.506
  305    H    ALA  38           H        ALA  38  -4.003  -3.913  -3.263
  306    HA   ALA  38           HA       ALA  38  -1.489  -4.217  -4.478
  307    HB1  ALA  38           3HB      ALA  38  -2.293  -5.678  -2.671
  308    HB2  ALA  38           1HB      ALA  38  -1.759  -6.625  -4.062
  309    HB3  ALA  38           2HB      ALA  38  -3.484  -6.390  -3.758
  310    H    LYS  39           H        LYS  39  -4.733  -5.266  -5.693
  311    HA   LYS  39           HA       LYS  39  -3.724  -6.420  -8.096
  312    HB2  LYS  39           2HB      LYS  39  -6.033  -6.624  -8.821
  313    HB3  LYS  39           3HB      LYS  39  -5.884  -7.100  -7.137
  314    HG2  LYS  39           2HG      LYS  39  -6.931  -5.059  -6.380
  315    HG3  LYS  39           3HG      LYS  39  -6.901  -4.376  -8.007
  316    HD2  LYS  39           2HD      LYS  39  -8.509  -6.821  -7.155
  317    HD3  LYS  39           3HD      LYS  39  -9.160  -5.195  -7.374
  318    HE2  LYS  39           2HE      LYS  39  -8.486  -5.280  -9.776
  319    HE3  LYS  39           3HE      LYS  39  -7.919  -6.933  -9.539
  320    HZ1  LYS  39           3HZ      LYS  39 -10.712  -5.998  -9.179
  321    HZ2  LYS  39           1HZ      LYS  39 -10.164  -7.581  -8.970
  322    HZ3  LYS  39           2HZ      LYS  39 -10.123  -6.871 -10.499
  323    H    ASN  40           H        ASN  40  -4.983  -3.179  -7.363
  324    HA   ASN  40           HA       ASN  40  -5.031  -2.125  -9.989
  325    HB2  ASN  40           2HB      ASN  40  -4.617  -0.685  -7.339
  326    HB3  ASN  40           3HB      ASN  40  -4.915   0.134  -8.872
  327   HD21  ASN  40          1HD2      ASN  40  -6.505   0.299  -6.510
  328   HD22  ASN  40          2HD2      ASN  40  -8.068  -0.310  -6.900
  329    H    LEU  41           H        LEU  41  -2.379  -2.518  -7.705
  330    HA   LEU  41           HA       LEU  41  -0.476  -1.211  -9.574
  331    HB2  LEU  41           2HB      LEU  41  -0.158  -1.958  -6.646
  332    HB3  LEU  41           3HB      LEU  41   1.062  -1.149  -7.624
  333    HG   LEU  41           HG       LEU  41  -1.661  -0.007  -6.861
  334   HD11  LEU  41          1HD1      LEU  41  -0.091  -0.032  -4.986
  335   HD12  LEU  41          2HD1      LEU  41  -0.416   1.611  -5.531
  336   HD13  LEU  41          3HD1      LEU  41   1.107   0.826  -5.960
  337   HD21  LEU  41          3HD2      LEU  41  -0.945   2.060  -7.962
  338   HD22  LEU  41          1HD2      LEU  41  -1.012   0.731  -9.115
  339   HD23  LEU  41          2HD2      LEU  41   0.547   1.288  -8.497
  340    H    LYS  42           H        LYS  42  -1.627  -4.232  -9.201
  341    HA   LYS  42           HA       LYS  42  -0.960  -6.330  -9.713
  342    HB2  LYS  42           2HB      LYS  42   1.312  -4.857 -11.108
  343    HB3  LYS  42           3HB      LYS  42   0.930  -6.556 -11.364
  344    HG2  LYS  42           2HG      LYS  42  -0.972  -4.253 -11.933
  345    HG3  LYS  42           3HG      LYS  42   0.032  -5.052 -13.149
  346    HD2  LYS  42           2HD      LYS  42  -1.137  -7.173 -12.785
  347    HD3  LYS  42           3HD      LYS  42  -2.061  -6.476 -11.454
  348    HE2  LYS  42           2HE      LYS  42  -2.235  -5.539 -14.335
  349    HE3  LYS  42           3HE      LYS  42  -3.359  -6.669 -13.579
  350    HZ1  LYS  42           3HZ      LYS  42  -2.910  -3.836 -12.817
  351    HZ2  LYS  42           1HZ      LYS  42  -3.877  -4.913 -11.942
  352    HZ3  LYS  42           2HZ      LYS  42  -4.293  -4.497 -13.525
  353    H    LEU  43           H        LEU  43   0.180  -4.985  -7.246
  354    HA   LEU  43           HA       LEU  43   2.571  -6.548  -6.592
  355    HB2  LEU  43           2HB      LEU  43   0.913  -4.547  -5.009
  356    HB3  LEU  43           3HB      LEU  43   2.288  -5.398  -4.321
  357    HG   LEU  43           HG       LEU  43   2.468  -3.529  -6.715
  358   HD11  LEU  43          1HD1      LEU  43   3.492  -1.895  -5.198
  359   HD12  LEU  43          2HD1      LEU  43   3.155  -2.947  -3.821
  360   HD13  LEU  43          3HD1      LEU  43   1.824  -2.245  -4.746
  361   HD21  LEU  43          3HD2      LEU  43   4.656  -4.801  -5.027
  362   HD22  LEU  43          1HD2      LEU  43   4.899  -3.621  -6.320
  363   HD23  LEU  43          2HD2      LEU  43   4.248  -5.213  -6.696
  364    H    THR  44           H        THR  44   2.458  -7.568  -4.258
  365    HA   THR  44           HA       THR  44  -0.011  -9.202  -3.972
  366    HB   THR  44           HB       THR  44   1.283 -10.714  -2.532
  367    HG1  THR  44           HG1      THR  44   3.793  -9.812  -2.952
  368   HG21  THR  44          3HG2      THR  44   2.878 -11.646  -4.162
  369   HG22  THR  44          1HG2      THR  44   2.824 -10.144  -5.090
  370   HG23  THR  44          2HG2      THR  44   1.384 -11.156  -4.962
  371    H    GLU  45           H        GLU  45  -1.024  -9.300  -1.933
  372    HA   GLU  45           HA       GLU  45  -1.188  -6.996  -0.352
  373    HB2  GLU  45           2HB      GLU  45  -1.953  -9.867   0.282
  374    HB3  GLU  45           3HB      GLU  45  -2.352  -8.513   1.336
  375    HG2  GLU  45           2HG      GLU  45  -3.603  -7.466  -0.569
  376    HG3  GLU  45           3HG      GLU  45  -3.307  -8.932  -1.510
  377    H    THR  46           H        THR  46   1.018  -9.725  -0.025
  378    HA   THR  46           HA       THR  46   2.123  -9.215   2.510
  379    HB   THR  46           HB       THR  46   3.554 -10.301   0.028
  380    HG1  THR  46           HG1      THR  46   2.113 -11.840   0.325
  381   HG21  THR  46          3HG2      THR  46   5.035 -11.452   1.649
  382   HG22  THR  46          1HG2      THR  46   4.200 -10.666   2.987
  383   HG23  THR  46          2HG2      THR  46   5.137  -9.702   1.842
  384    H    GLN  47           H        GLN  47   3.360  -8.197  -0.712
  385    HA   GLN  47           HA       GLN  47   5.464  -6.544   0.092
  386    HB2  GLN  47           2HB      GLN  47   3.708  -6.353  -2.385
  387    HB3  GLN  47           3HB      GLN  47   5.216  -5.465  -2.180
  388    HG2  GLN  47           2HG      GLN  47   6.481  -7.550  -2.119
  389    HG3  GLN  47           3HG      GLN  47   4.992  -8.491  -2.213
  390   HE21  GLN  47          1HE2      GLN  47   7.157  -6.392  -3.980
  391   HE22  GLN  47          2HE2      GLN  47   6.576  -6.795  -5.552
  392    H    VAL  48           H        VAL  48   2.102  -5.650  -0.639
  393    HA   VAL  48           HA       VAL  48   2.282  -2.872  -0.308
  394    HB   VAL  48           HB       VAL  48  -0.123  -4.722   0.059
  395   HG11  VAL  48          1HG1      VAL  48  -0.584  -2.557   1.124
  396   HG12  VAL  48          2HG1      VAL  48  -1.536  -2.726  -0.349
  397   HG13  VAL  48          3HG1      VAL  48  -0.095  -1.703  -0.340
  398   HG21  VAL  48          3HG2      VAL  48   0.894  -4.867  -2.188
  399   HG22  VAL  48          1HG2      VAL  48   0.781  -3.115  -2.374
  400   HG23  VAL  48          2HG2      VAL  48  -0.686  -4.092  -2.271
  401    H    LYS  49           H        LYS  49   1.382  -5.401   2.092
  402    HA   LYS  49           HA       LYS  49   0.803  -3.610   4.231
  403    HB2  LYS  49           2HB      LYS  49   0.063  -6.044   4.077
  404    HB3  LYS  49           3HB      LYS  49   1.696  -6.511   4.529
  405    HG2  LYS  49           2HG      LYS  49   1.454  -5.315   6.685
  406    HG3  LYS  49           3HG      LYS  49  -0.168  -4.803   6.222
  407    HD2  LYS  49           2HD      LYS  49  -0.577  -6.626   7.641
  408    HD3  LYS  49           3HD      LYS  49  -0.711  -7.338   6.038
  409    HE2  LYS  49           2HE      LYS  49   1.672  -7.545   7.909
  410    HE3  LYS  49           3HE      LYS  49   0.518  -8.823   7.540
  411    HZ1  LYS  49           3HZ      LYS  49   2.577  -7.652   5.775
  412    HZ2  LYS  49           1HZ      LYS  49   1.299  -8.587   5.175
  413    HZ3  LYS  49           2HZ      LYS  49   2.397  -9.259   6.264
  414    H    ILE  50           H        ILE  50   3.769  -5.393   3.342
  415    HA   ILE  50           HA       ILE  50   5.444  -4.569   5.453
  416    HB   ILE  50           HB       ILE  50   6.158  -5.326   2.579
  417   HG12  ILE  50          2HG1      ILE  50   6.291  -6.974   5.159
  418   HG13  ILE  50          3HG1      ILE  50   5.028  -7.107   3.941
  419   HG21  ILE  50          1HG2      ILE  50   8.485  -5.709   3.381
  420   HG22  ILE  50          2HG2      ILE  50   8.046  -5.051   4.961
  421   HG23  ILE  50          3HG2      ILE  50   8.014  -4.015   3.535
  422   HD11  ILE  50          3HD1      ILE  50   6.617  -8.905   3.737
  423   HD12  ILE  50          1HD1      ILE  50   7.944  -7.759   3.546
  424   HD13  ILE  50          2HD1      ILE  50   6.689  -7.873   2.309
  425    H    TRP  51           H        TRP  51   4.736  -3.041   2.301
  426    HA   TRP  51           HA       TRP  51   6.537  -0.901   2.374
  427    HB2  TRP  51           2HB      TRP  51   5.106  -1.595   0.391
  428    HB3  TRP  51           3HB      TRP  51   3.727  -0.832   1.170
  429    HD1  TRP  51           HD1      TRP  51   6.823  -0.022  -0.860
  430    HE1  TRP  51           HE1      TRP  51   6.843   2.464  -1.481
  431    HE3  TRP  51           HE3      TRP  51   2.993   1.574   2.086
  432    HZ2  TRP  51           HZ2      TRP  51   5.442   4.800  -0.800
  433    HZ3  TRP  51           HZ3      TRP  51   2.402   3.948   2.063
  434    HH2  TRP  51           HH2      TRP  51   3.599   5.535   0.652
  435    H    PHE  52           H        PHE  52   3.065  -0.846   3.283
  436    HA   PHE  52           HA       PHE  52   2.902   1.634   4.510
  437    HB2  PHE  52           2HB      PHE  52   1.351  -0.937   4.912
  438    HB3  PHE  52           3HB      PHE  52   1.011   0.445   5.949
  439    HD1  PHE  52           HD1      PHE  52   1.623  -0.019   2.245
  440    HD2  PHE  52           HD2      PHE  52  -0.915   1.614   5.280
  441    HE1  PHE  52           HE1      PHE  52   0.182   0.954   0.517
  442    HE2  PHE  52           HE2      PHE  52  -2.351   2.582   3.540
  443    HZ   PHE  52           HZ       PHE  52  -1.805   2.258   1.159
  444    H    GLN  53           H        GLN  53   3.731  -1.454   6.070
  445    HA   GLN  53           HA       GLN  53   4.046  -0.628   8.725
  446    HB2  GLN  53           2HB      GLN  53   3.866  -2.970   8.077
  447    HB3  GLN  53           3HB      GLN  53   5.369  -2.893   7.169
  448    HG2  GLN  53           2HG      GLN  53   6.668  -2.715   9.200
  449    HG3  GLN  53           3HG      GLN  53   5.214  -2.511  10.177
  450   HE21  GLN  53          1HE2      GLN  53   7.108  -4.826   8.343
  451   HE22  GLN  53          2HE2      GLN  53   6.388  -6.237   9.025
  452    H    ASN  54           H        ASN  54   6.462  -0.760   6.109
  453    HA   ASN  54           HA       ASN  54   8.731   0.047   7.591
  454    HB2  ASN  54           2HB      ASN  54   8.137   0.205   4.618
  455    HB3  ASN  54           3HB      ASN  54   9.696   0.640   5.305
  456   HD21  ASN  54          1HD2      ASN  54   9.107  -1.416   3.378
  457   HD22  ASN  54          2HD2      ASN  54   9.631  -2.907   4.069
  458    H    ARG  55           H        ARG  55   6.525   1.960   5.495
  459    HA   ARG  55           HA       ARG  55   7.712   4.475   5.916
  460    HB2  ARG  55           2HB      ARG  55   5.007   3.580   4.964
  461    HB3  ARG  55           3HB      ARG  55   5.186   5.267   5.405
  462    HG2  ARG  55           2HG      ARG  55   5.483   5.139   3.064
  463    HG3  ARG  55           3HG      ARG  55   7.075   5.439   3.753
  464    HD2  ARG  55           2HD      ARG  55   6.155   2.651   3.018
  465    HD3  ARG  55           3HD      ARG  55   6.861   3.733   1.826
  466    HE   ARG  55           HE       ARG  55   8.553   3.471   4.100
  467   HH11  ARG  55          1HH1      ARG  55   7.576   1.842   1.211
  468   HH12  ARG  55          2HH1      ARG  55   9.039   0.934   1.106
  469   HH21  ARG  55          1HH2      ARG  55  10.434   2.307   3.912
  470   HH22  ARG  55          2HH2      ARG  55  10.629   1.201   2.598
  471    H    ARG  56           H        ARG  56   5.286   2.759   7.914
  472    HA   ARG  56           HA       ARG  56   4.688   4.934   9.679
  473    HB2  ARG  56           2HB      ARG  56   4.517   1.929  10.171
  474    HB3  ARG  56           3HB      ARG  56   3.851   3.162  11.241
  475    HG2  ARG  56           2HG      ARG  56   2.352   3.891   9.359
  476    HG3  ARG  56           3HG      ARG  56   2.959   2.534   8.412
  477    HD2  ARG  56           2HD      ARG  56   0.846   1.896   9.409
  478    HD3  ARG  56           3HD      ARG  56   2.131   0.974  10.192
  479    HE   ARG  56           HE       ARG  56   1.993   2.567  12.062
  480   HH11  ARG  56          1HH1      ARG  56  -0.733   2.337   9.957
  481   HH12  ARG  56          2HH1      ARG  56  -1.815   3.002  11.128
  482   HH21  ARG  56          1HH2      ARG  56   0.582   3.402  13.535
  483   HH22  ARG  56          2HH2      ARG  56  -1.089   3.579  13.130
  484    H    TYR  57           H        TYR  57   7.035   2.283   9.745
  485    HA   TYR  57           HA       TYR  57   8.207   2.891  12.283
  486    HB2  TYR  57           2HB      TYR  57   8.213   0.644  11.041
  487    HB3  TYR  57           3HB      TYR  57   9.462   1.306   9.995
  488    HD1  TYR  57           HD1      TYR  57   8.689   0.493  13.572
  489    HD2  TYR  57           HD2      TYR  57  11.773   1.207  10.697
  490    HE1  TYR  57           HE1      TYR  57  10.373  -0.240  15.198
  491    HE2  TYR  57           HE2      TYR  57  13.454   0.475  12.323
  492    HH   TYR  57           HH       TYR  57  13.659   0.326  14.818
  493    H    LYS  58           H        LYS  58   8.684   4.127   9.053
  494    HA   LYS  58           HA       LYS  58  11.298   5.306   9.611
  495    HB2  LYS  58           2HB      LYS  58   9.554   5.208   7.144
  496    HB3  LYS  58           3HB      LYS  58  10.944   6.278   7.212
  497    HG2  LYS  58           2HG      LYS  58  11.251   3.309   7.719
  498    HG3  LYS  58           3HG      LYS  58  11.189   3.945   6.082
  499    HD2  LYS  58           2HD      LYS  58  13.504   3.740   6.604
  500    HD3  LYS  58           3HD      LYS  58  13.148   5.461   6.700
  501    HE2  LYS  58           2HE      LYS  58  14.616   4.785   8.534
  502    HE3  LYS  58           3HE      LYS  58  13.052   5.282   9.179
  503    HZ1  LYS  58           3HZ      LYS  58  14.021   2.499   8.805
  504    HZ2  LYS  58           1HZ      LYS  58  12.445   2.898   9.276
  505    HZ3  LYS  58           2HZ      LYS  58  13.754   3.297  10.269
  506    H    THR  59           H        THR  59   7.974   6.321   9.807
  507    HA   THR  59           HA       THR  59   8.746   9.183   9.791
  508    HB   THR  59           HB       THR  59   6.729   8.676   8.458
  509    HG1  THR  59           HG1      THR  59   5.419  10.297   9.423
  510   HG21  THR  59          3HG2      THR  59   5.431   7.808  11.072
  511   HG22  THR  59          1HG2      THR  59   5.806   6.751   9.713
  512   HG23  THR  59          2HG2      THR  59   4.596   8.023   9.532
  513    H    LYS  60           H        LYS  60   8.703  10.416  11.611
  514    HA   LYS  60           HA       LYS  60   8.611   9.277  14.222
  515    HB2  LYS  60           2HB      LYS  60   8.590  12.174  13.283
  516    HB3  LYS  60           3HB      LYS  60   8.673  11.710  14.981
  517    HG2  LYS  60           2HG      LYS  60  10.800  10.567  14.607
  518    HG3  LYS  60           3HG      LYS  60  10.724  10.918  12.882
  519    HD2  LYS  60           2HD      LYS  60  10.691  13.196  14.878
  520    HD3  LYS  60           3HD      LYS  60  12.214  12.404  14.491
  521    HE2  LYS  60           2HE      LYS  60  11.959  14.388  13.105
  522    HE3  LYS  60           3HE      LYS  60  11.869  12.955  12.086
  523    HZ1  LYS  60           3HZ      LYS  60   9.514  14.465  13.060
  524    HZ2  LYS  60           1HZ      LYS  60   9.507  13.192  11.953
  525    HZ3  LYS  60           2HZ      LYS  60  10.217  14.669  11.542
  526    H    ARG  61           H        ARG  61   6.176  10.629  12.128
  527    HA   ARG  61           HA       ARG  61   4.129  11.070  14.086
  528    HB2  ARG  61           2HB      ARG  61   4.016  10.710  11.066
  529    HB3  ARG  61           3HB      ARG  61   2.600  11.080  12.053
  530    HG2  ARG  61           2HG      ARG  61   3.561  13.191  12.757
  531    HG3  ARG  61           3HG      ARG  61   5.083  12.820  11.949
  532    HD2  ARG  61           2HD      ARG  61   4.008  12.954   9.762
  533    HD3  ARG  61           3HD      ARG  61   2.427  13.171  10.522
  534    HE   ARG  61           HE       ARG  61   3.038  15.343  11.173
  535   HH11  ARG  61          1HH1      ARG  61   5.559  13.919   9.268
  536   HH12  ARG  61          2HH1      ARG  61   6.303  15.445   8.958
  537   HH21  ARG  61          1HH2      ARG  61   4.026  17.249  10.781
  538   HH22  ARG  61          2HH2      ARG  61   5.455  17.303   9.811
  539    H    LYS  62           H        LYS  62   4.207   9.196  15.349
  540    HA   LYS  62           HA       LYS  62   3.276   6.636  14.272
  541    HB2  LYS  62           2HB      LYS  62   3.998   7.473  17.113
  542    HB3  LYS  62           3HB      LYS  62   3.590   5.834  16.619
  543    HG2  LYS  62           2HG      LYS  62   6.013   7.425  15.721
  544    HG3  LYS  62           3HG      LYS  62   6.000   6.101  16.888
  545    HD2  LYS  62           2HD      LYS  62   5.088   4.624  14.979
  546    HD3  LYS  62           3HD      LYS  62   5.496   5.958  13.892
  547    HE2  LYS  62           2HE      LYS  62   7.403   4.350  15.624
  548    HE3  LYS  62           3HE      LYS  62   7.323   4.376  13.863
  549    HZ1  LYS  62           3HZ      LYS  62   8.119   6.643  15.607
  550    HZ2  LYS  62           1HZ      LYS  62   8.017   6.693  13.922
  551    HZ3  LYS  62           2HZ      LYS  62   9.151   5.701  14.665
  552    H    GLN  63           H        GLN  63   1.345   5.586  15.041
  553    HA   GLN  63           HA       GLN  63  -0.755   7.376  16.125
  554    HB2  GLN  63           2HB      GLN  63  -0.959   4.770  14.573
  555    HB3  GLN  63           3HB      GLN  63  -2.349   5.572  15.304
  556    HG2  GLN  63           2HG      GLN  63  -1.865   7.590  13.905
  557    HG3  GLN  63           3HG      GLN  63  -0.565   6.693  13.116
  558   HE21  GLN  63          1HE2      GLN  63  -3.058   7.852  12.030
  559   HE22  GLN  63          2HE2      GLN  63  -3.863   6.547  11.238
  560    H    LEU  64           H        LEU  64   1.429   5.766  17.611
  561    HA   LEU  64           HA       LEU  64  -0.392   4.639  19.675
  562    HB2  LEU  64           2HB      LEU  64   1.046   2.935  18.418
  563    HB3  LEU  64           3HB      LEU  64   2.448   3.684  19.161
  564    HG   LEU  64           HG       LEU  64   1.559   3.067  21.420
  565   HD11  LEU  64          1HD1      LEU  64  -0.334   1.496  21.625
  566   HD12  LEU  64          2HD1      LEU  64  -0.639   1.630  19.891
  567   HD13  LEU  64          3HD1      LEU  64  -0.835   3.039  20.935
  568   HD21  LEU  64          3HD2      LEU  64   2.004   0.644  21.269
  569   HD22  LEU  64          1HD2      LEU  64   3.157   1.571  20.311
  570   HD23  LEU  64          2HD2      LEU  64   1.839   0.711  19.512
  571    H    SER  65           H        SER  65   2.920   5.957  19.224
  572    HA   SER  65           HA       SER  65   2.452   7.935  21.349
  573    HB2  SER  65           2HB      SER  65   3.557   6.079  22.549
  574    HB3  SER  65           3HB      SER  65   4.871   6.071  21.374
  575    HG   SER  65           HG       SER  65   5.714   7.792  22.286
  576    H    SER  66           H        SER  66   2.650   9.720  20.089
  577    HA   SER  66           HA       SER  66   5.122  10.119  18.478
  578    HB2  SER  66           2HB      SER  66   3.082   9.546  17.063
  579    HB3  SER  66           3HB      SER  66   2.343  11.044  17.624
  580    HG   SER  66           HG       SER  66   3.321  11.660  15.815
  581    H    GLU  67           H        GLU  67   4.710  12.726  17.646
  582    HA   GLU  67           HA       GLU  67   5.123  14.872  18.226
  583    HB2  GLU  67           2HB      GLU  67   3.154  14.263  20.469
  584    HB3  GLU  67           3HB      GLU  67   3.710  15.883  20.055
  585    HG2  GLU  67           2HG      GLU  67   2.652  15.733  17.857
  586    HG3  GLU  67           3HG      GLU  67   2.197  14.057  18.153
  587    H    LEU  68           H        LEU  68   6.933  12.909  19.098
  588    HA   LEU  68           HA       LEU  68   7.784  13.313  21.810
  589    HB2  LEU  68           2HB      LEU  68   9.338  12.040  19.525
  590    HB3  LEU  68           3HB      LEU  68   9.612  11.802  21.245
  591    HG   LEU  68           HG       LEU  68   7.185  10.831  19.666
  592   HD11  LEU  68          1HD1      LEU  68   9.189   9.521  19.176
  593   HD12  LEU  68          2HD1      LEU  68   8.007   8.569  20.072
  594   HD13  LEU  68          3HD1      LEU  68   9.429   9.214  20.898
  595   HD21  LEU  68          3HD2      LEU  68   6.494  11.425  21.933
  596   HD22  LEU  68          1HD2      LEU  68   7.790  10.437  22.614
  597   HD23  LEU  68          2HD2      LEU  68   6.469   9.676  21.720
  598    H    GLY  69           H        GLY  69   9.518  14.540  22.583
  599    HA2  GLY  69           2HA      GLY  69   9.921  17.069  21.435
  600    HA3  GLY  69           3HA      GLY  69  10.819  16.409  22.785
  Start of MODEL   16
    1    H1   MET   1           1H       MET   1  16.789 -10.903  21.136
    2    H2   MET   1           2H       MET   1  17.765 -10.563  19.798
    3    H3   MET   1           3H       MET   1  18.347 -11.562  21.028
    4    HA   MET   1           HA       MET   1  17.747 -12.902  19.159
    5    HB2  MET   1           2HB      MET   1  15.699 -13.141  21.406
    6    HB3  MET   1           3HB      MET   1  16.119 -14.427  20.281
    7    HG2  MET   1           2HG      MET   1  18.390 -14.509  21.188
    8    HG3  MET   1           3HG      MET   1  18.025 -13.165  22.273
    9    HE1  MET   1           3HE      MET   1  14.984 -13.949  23.167
   10    HE2  MET   1           1HE      MET   1  16.222 -13.339  24.269
   11    HE3  MET   1           2HE      MET   1  15.345 -14.817  24.660
   12    H    GLY   2           H        GLY   2  15.566 -13.993  18.232
   13    HA2  GLY   2           2HA      GLY   2  13.614 -13.798  16.999
   14    HA3  GLY   2           3HA      GLY   2  13.401 -12.167  17.609
   15    H    HIS   3           H        HIS   3  14.594 -14.114  15.007
   16    HA   HIS   3           HA       HIS   3  16.104 -12.100  13.625
   17    HB2  HIS   3           2HB      HIS   3  14.960 -14.757  12.665
   18    HB3  HIS   3           3HB      HIS   3  16.006 -13.730  11.691
   19    HD1  HIS   3           HD1      HIS   3  18.487 -14.060  11.978
   20    HD2  HIS   3           HD2      HIS   3  16.321 -15.840  15.047
   21    HE1  HIS   3           HE1      HIS   3  20.156 -15.365  13.313
   22    HE2  HIS   3           HE2      HIS   3  18.788 -16.592  15.024
   23    H    HIS   4           H        HIS   4  14.748 -10.277  13.487
   24    HA   HIS   4           HA       HIS   4  12.295 -10.454  11.860
   25    HB2  HIS   4           2HB      HIS   4  11.990  -8.030  12.533
   26    HB3  HIS   4           3HB      HIS   4  11.945  -9.196  13.846
   27    HD1  HIS   4           HD1      HIS   4  14.270  -6.596  12.341
   28    HD2  HIS   4           HD2      HIS   4  13.726  -8.689  15.877
   29    HE1  HIS   4           HE1      HIS   4  15.834  -5.549  13.986
   30    HE2  HIS   4           HE2      HIS   4  15.334  -6.705  16.157
   31    H    HIS   5           H        HIS   5  12.467 -10.264   9.762
   32    HA   HIS   5           HA       HIS   5  14.251  -8.239   8.532
   33    HB2  HIS   5           2HB      HIS   5  15.308 -10.370   8.074
   34    HB3  HIS   5           3HB      HIS   5  13.775 -11.107   7.625
   35    HD1  HIS   5           HD1      HIS   5  12.972 -10.791   5.220
   36    HD2  HIS   5           HD2      HIS   5  16.416  -8.627   6.042
   37    HE1  HIS   5           HE1      HIS   5  13.765  -9.927   3.016
   38    HE2  HIS   5           HE2      HIS   5  15.925  -8.749   3.514
   39    H    HIS   6           H        HIS   6  12.849  -6.697   7.844
   40    HA   HIS   6           HA       HIS   6  10.266  -7.308   6.662
   41    HB2  HIS   6           2HB      HIS   6  11.827  -4.690   6.764
   42    HB3  HIS   6           3HB      HIS   6  10.159  -4.854   6.234
   43    HD1  HIS   6           HD1      HIS   6  11.204  -3.077   8.650
   44    HD2  HIS   6           HD2      HIS   6   9.336  -6.768   8.965
   45    HE1  HIS   6           HE1      HIS   6  10.144  -3.096  10.913
   46    HE2  HIS   6           HE2      HIS   6   9.001  -5.334  11.081
   47    H    HIS   7           H        HIS   7  10.076  -8.028   4.586
   48    HA   HIS   7           HA       HIS   7  12.279  -8.130   2.780
   49    HB2  HIS   7           2HB      HIS   7  10.545  -9.884   2.800
   50    HB3  HIS   7           3HB      HIS   7   9.341  -8.723   2.247
   51    HD1  HIS   7           HD1      HIS   7   9.474  -7.972  -0.259
   52    HD2  HIS   7           HD2      HIS   7  12.266 -10.863   0.796
   53    HE1  HIS   7           HE1      HIS   7  10.440  -8.796  -2.415
   54    HE2  HIS   7           HE2      HIS   7  12.180 -10.484  -1.753
   55    H    HIS   8           H        HIS   8  13.017  -6.455   1.642
   56    HA   HIS   8           HA       HIS   8  11.588  -4.058   1.086
   57    HB2  HIS   8           2HB      HIS   8  14.183  -5.025  -0.207
   58    HB3  HIS   8           3HB      HIS   8  13.573  -3.371  -0.187
   59    HD1  HIS   8           HD1      HIS   8  13.682  -2.102   2.126
   60    HD2  HIS   8           HD2      HIS   8  15.579  -5.792   2.050
   61    HE1  HIS   8           HE1      HIS   8  15.112  -2.175   4.178
   62    HE2  HIS   8           HE2      HIS   8  16.102  -4.476   4.198
   63    H    SER   9           H        SER   9   9.732  -4.553  -0.053
   64    HA   SER   9           HA       SER   9   9.637  -6.005  -2.502
   65    HB2  SER   9           2HB      SER   9   7.626  -5.683  -1.106
   66    HB3  SER   9           3HB      SER   9   7.671  -3.944  -1.411
   67    HG   SER   9           HG       SER   9   7.574  -5.807  -3.534
   68    H    HIS  10           H        HIS  10  10.856  -5.301  -4.195
   69    HA   HIS  10           HA       HIS  10  11.573  -2.632  -4.784
   70    HB2  HIS  10           2HB      HIS  10  11.477  -4.982  -6.723
   71    HB3  HIS  10           3HB      HIS  10  12.390  -3.490  -6.939
   72    HD1  HIS  10           HD1      HIS  10  12.495  -6.796  -5.273
   73    HD2  HIS  10           HD2      HIS  10  14.721  -3.286  -5.265
   74    HE1  HIS  10           HE1      HIS  10  14.648  -7.364  -4.134
   75    HE2  HIS  10           HE2      HIS  10  16.054  -5.294  -4.343
   76    H    MET  11           H        MET  11  10.657  -1.095  -6.111
   77    HA   MET  11           HA       MET  11   8.050  -1.513  -7.350
   78    HB2  MET  11           2HB      MET  11   8.330   0.269  -4.884
   79    HB3  MET  11           3HB      MET  11   6.954   0.320  -5.969
   80    HG2  MET  11           2HG      MET  11   6.291  -1.915  -5.331
   81    HG3  MET  11           3HG      MET  11   7.763  -2.129  -4.380
   82    HE1  MET  11           3HE      MET  11   4.887  -1.884  -1.649
   83    HE2  MET  11           1HE      MET  11   6.226  -2.875  -2.228
   84    HE3  MET  11           2HE      MET  11   4.794  -2.652  -3.232
   85    H    SER  12           H        SER  12   7.364   0.319  -8.591
   86    HA   SER  12           HA       SER  12   9.584   1.948  -9.611
   87    HB2  SER  12           2HB      SER  12   8.006   0.821 -11.203
   88    HB3  SER  12           3HB      SER  12   6.694   1.816 -10.570
   89    HG   SER  12           HG       SER  12   7.789   2.579 -12.534
   90    H    HIS  13           H        HIS  13   9.360   4.345  -9.819
   91    HA   HIS  13           HA       HIS  13   8.820   5.506  -7.319
   92    HB2  HIS  13           2HB      HIS  13  10.449   6.446  -8.946
   93    HB3  HIS  13           3HB      HIS  13   9.119   6.964  -9.976
   94    HD1  HIS  13           HD1      HIS  13  10.720   7.721  -6.640
   95    HD2  HIS  13           HD2      HIS  13   7.866   9.348  -9.186
   96    HE1  HIS  13           HE1      HIS  13  10.241  10.011  -5.747
   97    HE2  HIS  13           HE2      HIS  13   8.655  11.036  -7.401
   98    H    THR  14           H        THR  14   6.858   5.568 -10.307
   99    HA   THR  14           HA       THR  14   4.785   7.278  -9.442
  100    HB   THR  14           HB       THR  14   4.614   4.981 -11.451
  101    HG1  THR  14           HG1      THR  14   4.777   7.000 -12.885
  102   HG21  THR  14          3HG2      THR  14   2.711   6.228 -12.428
  103   HG22  THR  14          1HG2      THR  14   2.828   7.428 -11.145
  104   HG23  THR  14          2HG2      THR  14   2.365   5.765 -10.759
  105    H    GLN  15           H        GLN  15   5.245   3.789  -9.143
  106    HA   GLN  15           HA       GLN  15   2.692   3.050  -8.152
  107    HB2  GLN  15           2HB      GLN  15   4.289   1.478  -9.182
  108    HB3  GLN  15           3HB      GLN  15   5.412   1.722  -7.852
  109    HG2  GLN  15           2HG      GLN  15   3.858   0.640  -6.301
  110    HG3  GLN  15           3HG      GLN  15   2.663   0.461  -7.595
  111   HE21  GLN  15          1HE2      GLN  15   2.641  -1.796  -7.532
  112   HE22  GLN  15          2HE2      GLN  15   3.984  -2.758  -8.015
  113    H    VAL  16           H        VAL  16   5.767   3.849  -6.502
  114    HA   VAL  16           HA       VAL  16   4.900   3.546  -3.833
  115    HB   VAL  16           HB       VAL  16   7.049   5.452  -4.887
  116   HG11  VAL  16          1HG1      VAL  16   6.423   6.062  -2.593
  117   HG12  VAL  16          2HG1      VAL  16   8.034   5.346  -2.607
  118   HG13  VAL  16          3HG1      VAL  16   6.651   4.395  -2.055
  119   HG21  VAL  16          3HG2      VAL  16   8.662   3.650  -4.372
  120   HG22  VAL  16          1HG2      VAL  16   7.471   3.118  -5.559
  121   HG23  VAL  16          2HG2      VAL  16   7.338   2.590  -3.883
  122    H    ILE  17           H        ILE  17   4.744   6.372  -6.044
  123    HA   ILE  17           HA       ILE  17   3.605   8.258  -4.296
  124    HB   ILE  17           HB       ILE  17   3.102   7.957  -7.294
  125   HG12  ILE  17          2HG1      ILE  17   5.083   9.770  -5.827
  126   HG13  ILE  17          3HG1      ILE  17   5.502   8.302  -6.696
  127   HG21  ILE  17          1HG2      ILE  17   2.393  10.332  -7.276
  128   HG22  ILE  17          2HG2      ILE  17   2.552  10.364  -5.520
  129   HG23  ILE  17          3HG2      ILE  17   1.338   9.332  -6.274
  130   HD11  ILE  17          3HD1      ILE  17   6.032  10.265  -7.998
  131   HD12  ILE  17          1HD1      ILE  17   4.357  10.810  -7.923
  132   HD13  ILE  17          2HD1      ILE  17   4.768   9.329  -8.794
  133    H    GLU  18           H        GLU  18   1.971   5.826  -6.382
  134    HA   GLU  18           HA       GLU  18  -0.703   6.442  -5.773
  135    HB2  GLU  18           2HB      GLU  18   0.452   3.710  -6.467
  136    HB3  GLU  18           3HB      GLU  18  -1.244   4.166  -6.595
  137    HG2  GLU  18           2HG      GLU  18   1.043   5.309  -8.226
  138    HG3  GLU  18           3HG      GLU  18  -0.139   4.131  -8.783
  139    H    LEU  19           H        LEU  19   1.519   4.136  -4.237
  140    HA   LEU  19           HA       LEU  19  -0.135   3.141  -2.184
  141    HB2  LEU  19           2HB      LEU  19   2.867   3.529  -2.383
  142    HB3  LEU  19           3HB      LEU  19   2.118   2.701  -1.030
  143    HG   LEU  19           HG       LEU  19   1.711   1.728  -3.874
  144   HD11  LEU  19          1HD1      LEU  19   3.976   0.907  -2.038
  145   HD12  LEU  19          2HD1      LEU  19   4.127   1.837  -3.529
  146   HD13  LEU  19          3HD1      LEU  19   3.568   0.170  -3.591
  147   HD21  LEU  19          3HD2      LEU  19   0.187   0.839  -2.165
  148   HD22  LEU  19          1HD2      LEU  19   1.563   0.294  -1.199
  149   HD23  LEU  19          2HD2      LEU  19   1.250  -0.417  -2.786
  150    H    GLU  20           H        GLU  20   1.883   6.077  -2.357
  151    HA   GLU  20           HA       GLU  20   1.572   6.844   0.392
  152    HB2  GLU  20           2HB      GLU  20   2.637   8.342  -2.024
  153    HB3  GLU  20           3HB      GLU  20   2.557   9.071  -0.423
  154    HG2  GLU  20           2HG      GLU  20   4.010   7.239   0.442
  155    HG3  GLU  20           3HG      GLU  20   4.157   6.609  -1.194
  156    H    ARG  21           H        ARG  21  -0.165   7.614  -2.585
  157    HA   ARG  21           HA       ARG  21  -1.870   9.641  -1.637
  158    HB2  ARG  21           2HB      ARG  21  -2.457   7.460  -3.689
  159    HB3  ARG  21           3HB      ARG  21  -3.450   8.897  -3.446
  160    HG2  ARG  21           2HG      ARG  21  -1.556  10.319  -4.147
  161    HG3  ARG  21           3HG      ARG  21  -0.560   8.885  -4.366
  162    HD2  ARG  21           2HD      ARG  21  -2.257   8.094  -6.088
  163    HD3  ARG  21           3HD      ARG  21  -3.008   9.689  -5.979
  164    HE   ARG  21           HE       ARG  21  -0.414   9.009  -7.162
  165   HH11  ARG  21          1HH1      ARG  21  -2.655  11.545  -6.389
  166   HH12  ARG  21          2HH1      ARG  21  -1.881  12.684  -7.433
  167   HH21  ARG  21          1HH2      ARG  21   0.557  10.491  -8.463
  168   HH22  ARG  21          2HH2      ARG  21  -0.084  12.091  -8.608
  169    H    LYS  22           H        LYS  22  -2.099   6.108  -1.526
  170    HA   LYS  22           HA       LYS  22  -4.587   5.899  -0.161
  171    HB2  LYS  22           2HB      LYS  22  -3.454   4.072  -1.511
  172    HB3  LYS  22           3HB      LYS  22  -2.302   3.879  -0.195
  173    HG2  LYS  22           2HG      LYS  22  -4.005   2.163  -0.019
  174    HG3  LYS  22           3HG      LYS  22  -4.178   3.284   1.334
  175    HD2  LYS  22           2HD      LYS  22  -6.379   2.758   0.455
  176    HD3  LYS  22           3HD      LYS  22  -6.013   4.447   0.105
  177    HE2  LYS  22           2HE      LYS  22  -5.191   3.535  -2.217
  178    HE3  LYS  22           3HE      LYS  22  -6.123   2.097  -1.788
  179    HZ1  LYS  22           3HZ      LYS  22  -7.456   3.608  -3.069
  180    HZ2  LYS  22           1HZ      LYS  22  -7.164   4.870  -1.981
  181    HZ3  LYS  22           2HZ      LYS  22  -8.063   3.528  -1.498
  182    H    PHE  23           H        PHE  23  -1.220   5.877   0.913
  183    HA   PHE  23           HA       PHE  23  -1.498   5.396   3.653
  184    HB2  PHE  23           2HB      PHE  23   0.633   5.365   2.278
  185    HB3  PHE  23           3HB      PHE  23   0.612   7.120   2.287
  186    HD1  PHE  23           HD2      PHE  23   1.007   4.106   4.425
  187    HD2  PHE  23           HD1      PHE  23   1.460   8.359   4.199
  188    HE1  PHE  23           HE2      PHE  23   2.331   4.078   6.492
  189    HE2  PHE  23           HE1      PHE  23   2.784   8.319   6.268
  190    HZ   PHE  23           HZ       PHE  23   3.225   6.184   7.416
  191    H    SER  24           H        SER  24  -1.808   8.380   1.790
  192    HA   SER  24           HA       SER  24  -1.958  10.254   3.886
  193    HB2  SER  24           2HB      SER  24  -3.247  10.340   1.134
  194    HB3  SER  24           3HB      SER  24  -3.099  11.723   2.219
  195    HG   SER  24           HG       SER  24  -0.736  10.371   1.714
  196    H    HIS  25           H        HIS  25  -4.542   8.150   2.481
  197    HA   HIS  25           HA       HIS  25  -6.647   9.381   4.040
  198    HB2  HIS  25           2HB      HIS  25  -6.590   6.766   2.473
  199    HB3  HIS  25           3HB      HIS  25  -8.032   7.442   3.226
  200    HD1  HIS  25           HD1      HIS  25  -9.178   9.410   2.014
  201    HD2  HIS  25           HD2      HIS  25  -5.745   8.075   0.120
  202    HE1  HIS  25           HE1      HIS  25  -9.202  10.481  -0.247
  203    HE2  HIS  25           HE2      HIS  25  -7.000   9.837  -1.268
  204    H    GLN  26           H        GLN  26  -4.821   6.308   4.223
  205    HA   GLN  26           HA       GLN  26  -5.005   6.251   7.111
  206    HB2  GLN  26           2HB      GLN  26  -6.046   3.986   7.255
  207    HB3  GLN  26           3HB      GLN  26  -7.140   5.227   6.651
  208    HG2  GLN  26           2HG      GLN  26  -6.764   4.411   4.334
  209    HG3  GLN  26           3HG      GLN  26  -5.709   3.145   4.974
  210   HE21  GLN  26          1HE2      GLN  26  -6.642   1.414   6.077
  211   HE22  GLN  26          2HE2      GLN  26  -8.329   1.081   6.045
  212    H    LYS  27           H        LYS  27  -3.583   4.841   8.110
  213    HA   LYS  27           HA       LYS  27  -1.132   4.511   6.615
  214    HB2  LYS  27           2HB      LYS  27  -1.679   3.992   9.558
  215    HB3  LYS  27           3HB      LYS  27  -0.113   4.270   8.813
  216    HG2  LYS  27           2HG      LYS  27  -2.361   6.268   9.199
  217    HG3  LYS  27           3HG      LYS  27  -0.770   6.286   9.963
  218    HD2  LYS  27           2HD      LYS  27   0.303   6.867   7.861
  219    HD3  LYS  27           3HD      LYS  27  -1.194   6.608   6.963
  220    HE2  LYS  27           2HE      LYS  27  -2.230   8.507   8.197
  221    HE3  LYS  27           3HE      LYS  27  -0.684   8.803   8.995
  222    HZ1  LYS  27           3HZ      LYS  27   0.307   9.233   6.840
  223    HZ2  LYS  27           1HZ      LYS  27  -1.017  10.258   7.085
  224    HZ3  LYS  27           2HZ      LYS  27  -1.160   8.918   6.065
  225    H    TYR  28           H        TYR  28  -3.570   2.370   7.829
  226    HA   TYR  28           HA       TYR  28  -2.117   0.039   6.739
  227    HB2  TYR  28           2HB      TYR  28  -3.642  -0.026   9.386
  228    HB3  TYR  28           3HB      TYR  28  -2.862  -1.396   8.603
  229    HD1  TYR  28           HD2      TYR  28  -0.229  -1.161   8.254
  230    HD2  TYR  28           HD1      TYR  28  -2.475   1.134  11.071
  231    HE1  TYR  28           HE2      TYR  28   1.805  -0.783   9.574
  232    HE2  TYR  28           HE1      TYR  28  -0.455   1.481  12.399
  233    HH   TYR  28           HH       TYR  28   1.740   0.303  12.730
  234    H    LEU  29           H        LEU  29  -3.425  -1.082   5.360
  235    HA   LEU  29           HA       LEU  29  -6.226  -0.302   5.069
  236    HB2  LEU  29           2HB      LEU  29  -4.409  -2.106   3.441
  237    HB3  LEU  29           3HB      LEU  29  -6.100  -1.843   3.035
  238    HG   LEU  29           HG       LEU  29  -4.008   0.365   3.162
  239   HD11  LEU  29          1HD1      LEU  29  -4.071   0.379   0.717
  240   HD12  LEU  29          2HD1      LEU  29  -5.150  -1.018   0.721
  241   HD13  LEU  29          3HD1      LEU  29  -3.503  -1.172   1.334
  242   HD21  LEU  29          3HD2      LEU  29  -5.718   1.745   2.070
  243   HD22  LEU  29          1HD2      LEU  29  -6.282   1.161   3.633
  244   HD23  LEU  29          2HD2      LEU  29  -6.871   0.412   2.145
  245    H    SER  30           H        SER  30  -7.977  -1.754   4.905
  246    HA   SER  30           HA       SER  30  -8.002  -4.068   6.648
  247    HB2  SER  30           2HB      SER  30 -10.128  -2.930   4.776
  248    HB3  SER  30           3HB      SER  30 -10.404  -4.222   5.943
  249    HG   SER  30           HG       SER  30 -10.811  -1.796   6.448
  250    H    ALA  31           H        ALA  31  -8.775  -6.233   5.840
  251    HA   ALA  31           HA       ALA  31  -7.106  -7.299   3.911
  252    HB1  ALA  31           3HB      ALA  31  -8.162  -8.624   5.677
  253    HB2  ALA  31           1HB      ALA  31  -8.402  -9.363   4.100
  254    HB3  ALA  31           2HB      ALA  31  -9.726  -8.483   4.871
  255    HA   PRO  32           HA       PRO  32 -10.739  -6.983   0.505
  256    HB2  PRO  32           2HB      PRO  32 -12.049  -4.500   1.615
  257    HB3  PRO  32           3HB      PRO  32 -12.770  -5.859   0.722
  258    HG2  PRO  32           2HG      PRO  32 -13.156  -5.672   3.334
  259    HG3  PRO  32           3HG      PRO  32 -12.810  -7.255   2.593
  260    HD2  PRO  32           2HD      PRO  32 -10.950  -5.455   4.132
  261    HD3  PRO  32           3HD      PRO  32 -11.130  -7.223   4.206
  262    H    GLU  33           H        GLU  33  -9.857  -3.796   2.006
  263    HA   GLU  33           HA       GLU  33  -9.412  -2.567  -0.556
  264    HB2  GLU  33           2HB      GLU  33  -8.935  -1.530   2.255
  265    HB3  GLU  33           3HB      GLU  33  -8.684  -0.554   0.810
  266    HG2  GLU  33           2HG      GLU  33 -11.305  -1.773   1.731
  267    HG3  GLU  33           3HG      GLU  33 -10.857  -0.072   1.817
  268    H    ARG  34           H        ARG  34  -7.312  -4.255   1.605
  269    HA   ARG  34           HA       ARG  34  -4.796  -3.214   0.662
  270    HB2  ARG  34           2HB      ARG  34  -5.113  -4.303   2.883
  271    HB3  ARG  34           3HB      ARG  34  -5.461  -5.828   2.081
  272    HG2  ARG  34           2HG      ARG  34  -3.151  -5.894   1.208
  273    HG3  ARG  34           3HG      ARG  34  -2.806  -4.353   2.001
  274    HD2  ARG  34           2HD      ARG  34  -1.974  -6.296   3.314
  275    HD3  ARG  34           3HD      ARG  34  -3.182  -5.356   4.199
  276    HE   ARG  34           HE       ARG  34  -3.913  -7.814   2.733
  277   HH11  ARG  34          1HH1      ARG  34  -3.995  -5.985   5.682
  278   HH12  ARG  34          2HH1      ARG  34  -4.972  -7.155   6.498
  279   HH21  ARG  34          1HH2      ARG  34  -5.179  -9.268   3.783
  280   HH22  ARG  34          2HH2      ARG  34  -5.626  -8.993   5.432
  281    H    ALA  35           H        ALA  35  -6.781  -6.080  -0.023
  282    HA   ALA  35           HA       ALA  35  -5.251  -7.163  -2.172
  283    HB1  ALA  35           3HB      ALA  35  -6.864  -8.496  -0.872
  284    HB2  ALA  35           1HB      ALA  35  -7.263  -8.534  -2.591
  285    HB3  ALA  35           2HB      ALA  35  -8.193  -7.513  -1.492
  286    H    HIS  36           H        HIS  36  -7.880  -4.830  -1.976
  287    HA   HIS  36           HA       HIS  36  -8.556  -4.468  -4.672
  288    HB2  HIS  36           2HB      HIS  36  -9.865  -3.668  -2.686
  289    HB3  HIS  36           3HB      HIS  36  -8.641  -2.451  -2.381
  290    HD1  HIS  36           HD1      HIS  36 -11.889  -2.715  -3.698
  291    HD2  HIS  36           HD2      HIS  36  -8.498  -0.627  -4.882
  292    HE1  HIS  36           HE1      HIS  36 -12.717  -0.808  -5.097
  293    HE2  HIS  36           HE2      HIS  36 -10.647   0.368  -5.894
  294    H    LEU  37           H        LEU  37  -6.216  -2.659  -2.606
  295    HA   LEU  37           HA       LEU  37  -5.226  -0.996  -4.740
  296    HB2  LEU  37           2HB      LEU  37  -5.114  -0.348  -2.336
  297    HB3  LEU  37           3HB      LEU  37  -3.975  -1.652  -2.045
  298    HG   LEU  37           HG       LEU  37  -2.357  -0.509  -3.634
  299   HD11  LEU  37          1HD1      LEU  37  -2.681   1.829  -4.234
  300   HD12  LEU  37          2HD1      LEU  37  -4.291   1.821  -3.509
  301   HD13  LEU  37          3HD1      LEU  37  -3.953   0.823  -4.925
  302   HD21  LEU  37          3HD2      LEU  37  -1.637   1.224  -2.038
  303   HD22  LEU  37          1HD2      LEU  37  -2.071  -0.281  -1.230
  304   HD23  LEU  37          2HD2      LEU  37  -3.181   1.087  -1.192
  305    H    ALA  38           H        ALA  38  -4.231  -4.086  -3.327
  306    HA   ALA  38           HA       ALA  38  -1.715  -4.461  -4.459
  307    HB1  ALA  38           3HB      ALA  38  -2.065  -6.860  -4.068
  308    HB2  ALA  38           1HB      ALA  38  -3.801  -6.588  -3.871
  309    HB3  ALA  38           2HB      ALA  38  -2.662  -5.908  -2.711
  310    H    LYS  39           H        LYS  39  -4.868  -5.599  -5.796
  311    HA   LYS  39           HA       LYS  39  -3.839  -6.731  -8.164
  312    HB2  LYS  39           2HB      LYS  39  -6.147  -6.834  -8.950
  313    HB3  LYS  39           3HB      LYS  39  -6.082  -7.253  -7.244
  314    HG2  LYS  39           2HG      LYS  39  -6.827  -4.921  -6.698
  315    HG3  LYS  39           3HG      LYS  39  -7.021  -4.619  -8.426
  316    HD2  LYS  39           2HD      LYS  39  -8.701  -6.488  -8.501
  317    HD3  LYS  39           3HD      LYS  39  -8.542  -6.663  -6.760
  318    HE2  LYS  39           2HE      LYS  39  -9.347  -4.350  -6.455
  319    HE3  LYS  39           3HE      LYS  39  -9.513  -4.177  -8.205
  320    HZ1  LYS  39           3HZ      LYS  39 -11.135  -5.988  -8.166
  321    HZ2  LYS  39           1HZ      LYS  39 -11.632  -4.696  -7.201
  322    HZ3  LYS  39           2HZ      LYS  39 -11.007  -6.089  -6.486
  323    H    ASN  40           H        ASN  40  -4.922  -3.437  -7.482
  324    HA   ASN  40           HA       ASN  40  -4.973  -2.421 -10.124
  325    HB2  ASN  40           2HB      ASN  40  -4.563  -0.964  -7.475
  326    HB3  ASN  40           3HB      ASN  40  -4.860  -0.161  -9.017
  327   HD21  ASN  40          1HD2      ASN  40  -6.466  -0.041  -6.620
  328   HD22  ASN  40          2HD2      ASN  40  -8.031  -0.625  -7.053
  329    H    LEU  41           H        LEU  41  -2.387  -2.567  -7.706
  330    HA   LEU  41           HA       LEU  41  -0.438  -1.357  -9.585
  331    HB2  LEU  41           2HB      LEU  41  -0.248  -1.906  -6.598
  332    HB3  LEU  41           3HB      LEU  41   1.009  -1.145  -7.559
  333    HG   LEU  41           HG       LEU  41  -1.754   0.019  -7.018
  334   HD11  LEU  41          1HD1      LEU  41  -0.319   0.078  -5.038
  335   HD12  LEU  41          2HD1      LEU  41  -0.589   1.699  -5.673
  336   HD13  LEU  41          3HD1      LEU  41   0.952   0.885  -5.960
  337   HD21  LEU  41          3HD2      LEU  41  -0.947   2.043  -8.146
  338   HD22  LEU  41          1HD2      LEU  41  -0.959   0.669  -9.248
  339   HD23  LEU  41          2HD2      LEU  41   0.567   1.236  -8.558
  340    H    LYS  42           H        LYS  42  -1.545  -4.340  -9.191
  341    HA   LYS  42           HA       LYS  42  -0.872  -6.462  -9.418
  342    HB2  LYS  42           2HB      LYS  42   1.451  -5.129 -10.842
  343    HB3  LYS  42           3HB      LYS  42   1.156  -6.867 -10.889
  344    HG2  LYS  42           2HG      LYS  42  -0.772  -4.735 -11.884
  345    HG3  LYS  42           3HG      LYS  42   0.294  -5.702 -12.905
  346    HD2  LYS  42           2HD      LYS  42  -0.885  -7.757 -12.255
  347    HD3  LYS  42           3HD      LYS  42  -1.894  -6.858 -11.120
  348    HE2  LYS  42           2HE      LYS  42  -1.882  -6.439 -14.129
  349    HE3  LYS  42           3HE      LYS  42  -3.070  -7.401 -13.249
  350    HZ1  LYS  42           3HZ      LYS  42  -3.910  -5.196 -13.703
  351    HZ2  LYS  42           1HZ      LYS  42  -2.599  -4.484 -12.904
  352    HZ3  LYS  42           2HZ      LYS  42  -3.726  -5.405 -12.035
  353    H    LEU  43           H        LEU  43   0.055  -4.986  -7.017
  354    HA   LEU  43           HA       LEU  43   2.345  -6.497  -6.020
  355    HB2  LEU  43           2HB      LEU  43   0.419  -4.572  -4.656
  356    HB3  LEU  43           3HB      LEU  43   1.817  -5.288  -3.863
  357    HG   LEU  43           HG       LEU  43   1.959  -3.433  -6.273
  358   HD11  LEU  43          1HD1      LEU  43   2.510  -2.799  -3.362
  359   HD12  LEU  43          2HD1      LEU  43   1.146  -2.216  -4.320
  360   HD13  LEU  43          3HD1      LEU  43   2.785  -1.721  -4.734
  361   HD21  LEU  43          3HD2      LEU  43   4.160  -4.559  -4.511
  362   HD22  LEU  43          1HD2      LEU  43   4.370  -3.344  -5.776
  363   HD23  LEU  43          2HD2      LEU  43   3.843  -4.969  -6.200
  364    H    THR  44           H        THR  44   1.979  -7.549  -3.769
  365    HA   THR  44           HA       THR  44  -0.538  -9.132  -3.664
  366    HB   THR  44           HB       THR  44   0.693 -10.775  -2.289
  367    HG1  THR  44           HG1      THR  44   3.127 -10.356  -2.285
  368   HG21  THR  44          3HG2      THR  44   2.315 -11.627  -3.960
  369   HG22  THR  44          1HG2      THR  44   2.236 -10.085  -4.817
  370   HG23  THR  44          2HG2      THR  44   0.809 -11.120  -4.726
  371    H    GLU  45           H        GLU  45  -1.297  -9.594  -1.390
  372    HA   GLU  45           HA       GLU  45  -1.499  -7.288   0.241
  373    HB2  GLU  45           2HB      GLU  45  -2.033 -10.196   0.953
  374    HB3  GLU  45           3HB      GLU  45  -2.495  -8.825   1.961
  375    HG2  GLU  45           2HG      GLU  45  -3.889  -7.984   0.020
  376    HG3  GLU  45           3HG      GLU  45  -3.559  -9.513  -0.801
  377    H    THR  46           H        THR  46   0.968  -9.728   0.113
  378    HA   THR  46           HA       THR  46   2.242  -9.200   2.620
  379    HB   THR  46           HB       THR  46   3.435 -10.288   0.018
  380    HG1  THR  46           HG1      THR  46   1.687 -11.442   1.437
  381   HG21  THR  46          3HG2      THR  46   5.261 -11.184   1.448
  382   HG22  THR  46          1HG2      THR  46   4.563 -10.360   2.839
  383   HG23  THR  46          2HG2      THR  46   5.211  -9.418   1.496
  384    H    GLN  47           H        GLN  47   2.882  -8.077  -0.716
  385    HA   GLN  47           HA       GLN  47   5.044  -6.360  -0.167
  386    HB2  GLN  47           2HB      GLN  47   3.046  -6.326  -2.467
  387    HB3  GLN  47           3HB      GLN  47   4.556  -5.413  -2.445
  388    HG2  GLN  47           2HG      GLN  47   5.858  -7.469  -2.377
  389    HG3  GLN  47           3HG      GLN  47   4.389  -8.439  -2.260
  390   HE21  GLN  47          1HE2      GLN  47   6.312  -6.425  -4.393
  391   HE22  GLN  47          2HE2      GLN  47   5.625  -7.008  -5.856
  392    H    VAL  48           H        VAL  48   1.577  -5.587  -0.586
  393    HA   VAL  48           HA       VAL  48   1.703  -2.808  -0.136
  394    HB   VAL  48           HB       VAL  48  -0.617  -4.738   0.372
  395   HG11  VAL  48          1HG1      VAL  48  -2.113  -2.777   0.189
  396   HG12  VAL  48          2HG1      VAL  48  -0.710  -1.711   0.073
  397   HG13  VAL  48          3HG1      VAL  48  -1.007  -2.620   1.555
  398   HG21  VAL  48          3HG2      VAL  48  -1.424  -4.064  -1.862
  399   HG22  VAL  48          1HG2      VAL  48   0.182  -4.786  -1.961
  400   HG23  VAL  48          2HG2      VAL  48  -0.004  -3.036  -2.079
  401    H    LYS  49           H        LYS  49   0.957  -5.484   2.180
  402    HA   LYS  49           HA       LYS  49   0.549  -3.939   4.489
  403    HB2  LYS  49           2HB      LYS  49  -0.054  -6.332   4.301
  404    HB3  LYS  49           3HB      LYS  49   1.645  -6.770   4.291
  405    HG2  LYS  49           2HG      LYS  49   1.901  -5.998   6.600
  406    HG3  LYS  49           3HG      LYS  49   0.237  -5.419   6.620
  407    HD2  LYS  49           2HD      LYS  49   0.304  -7.517   7.806
  408    HD3  LYS  49           3HD      LYS  49  -0.541  -7.787   6.285
  409    HE2  LYS  49           2HE      LYS  49   2.383  -8.477   6.748
  410    HE3  LYS  49           3HE      LYS  49   1.059  -9.619   6.941
  411    HZ1  LYS  49           3HZ      LYS  49   0.500  -9.119   4.555
  412    HZ2  LYS  49           1HZ      LYS  49   1.932  -9.980   4.817
  413    HZ3  LYS  49           2HZ      LYS  49   1.997  -8.335   4.445
  414    H    ILE  50           H        ILE  50   3.587  -5.444   3.323
  415    HA   ILE  50           HA       ILE  50   5.242  -4.616   5.473
  416    HB   ILE  50           HB       ILE  50   5.977  -5.463   2.633
  417   HG12  ILE  50          2HG1      ILE  50   6.146  -6.944   5.307
  418   HG13  ILE  50          3HG1      ILE  50   4.958  -7.234   4.042
  419   HG21  ILE  50          1HG2      ILE  50   7.878  -4.962   4.964
  420   HG22  ILE  50          2HG2      ILE  50   7.788  -4.025   3.474
  421   HG23  ILE  50          3HG2      ILE  50   8.332  -5.701   3.425
  422   HD11  ILE  50          3HD1      ILE  50   6.722  -8.007   2.555
  423   HD12  ILE  50          1HD1      ILE  50   6.675  -8.931   4.054
  424   HD13  ILE  50          2HD1      ILE  50   7.925  -7.710   3.814
  425    H    TRP  51           H        TRP  51   4.528  -3.097   2.282
  426    HA   TRP  51           HA       TRP  51   6.287  -0.916   2.530
  427    HB2  TRP  51           2HB      TRP  51   5.065  -1.440   0.408
  428    HB3  TRP  51           3HB      TRP  51   3.572  -0.860   1.141
  429    HD1  TRP  51           HD1      TRP  51   6.853   0.444  -0.360
  430    HE1  TRP  51           HE1      TRP  51   6.696   2.961  -0.731
  431    HE3  TRP  51           HE3      TRP  51   2.458   1.329   2.050
  432    HZ2  TRP  51           HZ2      TRP  51   4.967   5.054  -0.070
  433    HZ3  TRP  51           HZ3      TRP  51   1.623   3.631   2.160
  434    HH2  TRP  51           HH2      TRP  51   2.855   5.463   1.118
  435    H    PHE  52           H        PHE  52   2.795  -1.031   3.435
  436    HA   PHE  52           HA       PHE  52   2.651   1.546   4.569
  437    HB2  PHE  52           2HB      PHE  52   0.934  -0.928   4.844
  438    HB3  PHE  52           3HB      PHE  52   0.586   0.487   5.830
  439    HD1  PHE  52           HD1      PHE  52   0.766  -0.732   2.309
  440    HD2  PHE  52           HD2      PHE  52  -0.469   2.449   4.871
  441    HE1  PHE  52           HE1      PHE  52  -0.468   0.282   0.455
  442    HE2  PHE  52           HE2      PHE  52  -1.712   3.452   3.012
  443    HZ   PHE  52           HZ       PHE  52  -1.709   2.375   0.800
  444    H    GLN  53           H        GLN  53   3.584  -1.510   6.042
  445    HA   GLN  53           HA       GLN  53   3.791  -0.672   8.761
  446    HB2  GLN  53           2HB      GLN  53   3.705  -3.021   8.298
  447    HB3  GLN  53           3HB      GLN  53   4.979  -2.919   7.092
  448    HG2  GLN  53           2HG      GLN  53   6.618  -2.480   8.933
  449    HG3  GLN  53           3HG      GLN  53   5.318  -2.745  10.098
  450   HE21  GLN  53          1HE2      GLN  53   7.248  -4.269   7.588
  451   HE22  GLN  53          2HE2      GLN  53   6.993  -5.893   8.117
  452    H    ASN  54           H        ASN  54   6.345  -1.130   6.306
  453    HA   ASN  54           HA       ASN  54   8.521  -0.176   7.803
  454    HB2  ASN  54           2HB      ASN  54   8.145  -0.488   4.801
  455    HB3  ASN  54           3HB      ASN  54   9.688  -0.061   5.539
  456   HD21  ASN  54          1HD2      ASN  54  10.442  -1.989   4.478
  457   HD22  ASN  54          2HD2      ASN  54  10.196  -3.526   5.201
  458    H    ARG  55           H        ARG  55   6.464   1.441   5.418
  459    HA   ARG  55           HA       ARG  55   7.763   3.840   5.085
  460    HB2  ARG  55           2HB      ARG  55   5.531   2.897   3.999
  461    HB3  ARG  55           3HB      ARG  55   4.737   3.847   5.244
  462    HG2  ARG  55           2HG      ARG  55   4.841   5.156   3.221
  463    HG3  ARG  55           3HG      ARG  55   5.935   5.875   4.407
  464    HD2  ARG  55           2HD      ARG  55   7.859   4.747   3.315
  465    HD3  ARG  55           3HD      ARG  55   6.764   4.025   2.120
  466    HE   ARG  55           HE       ARG  55   6.489   6.840   2.105
  467   HH11  ARG  55          1HH1      ARG  55   8.719   4.370   1.089
  468   HH12  ARG  55          2HH1      ARG  55   9.475   5.388  -0.082
  469   HH21  ARG  55          1HH2      ARG  55   7.464   8.099   0.566
  470   HH22  ARG  55          2HH2      ARG  55   8.772   7.470  -0.372
  471    H    ARG  56           H        ARG  56   5.377   3.027   7.617
  472    HA   ARG  56           HA       ARG  56   5.423   5.493   9.007
  473    HB2  ARG  56           2HB      ARG  56   4.860   2.707  10.084
  474    HB3  ARG  56           3HB      ARG  56   4.491   4.211  10.909
  475    HG2  ARG  56           2HG      ARG  56   3.051   4.735   8.769
  476    HG3  ARG  56           3HG      ARG  56   3.156   2.997   8.505
  477    HD2  ARG  56           2HD      ARG  56   1.125   3.371   9.689
  478    HD3  ARG  56           3HD      ARG  56   2.251   2.699  10.870
  479    HE   ARG  56           HE       ARG  56   2.503   5.442  11.038
  480   HH11  ARG  56          1HH1      ARG  56   0.011   3.142  11.725
  481   HH12  ARG  56          2HH1      ARG  56  -0.833   4.222  12.771
  482   HH21  ARG  56          1HH2      ARG  56   1.395   6.791  12.369
  483   HH22  ARG  56          2HH2      ARG  56  -0.065   6.259  13.130
  484    H    TYR  57           H        TYR  57   7.413   2.559   9.312
  485    HA   TYR  57           HA       TYR  57   9.006   3.357  11.518
  486    HB2  TYR  57           2HB      TYR  57   8.801   1.011  10.719
  487    HB3  TYR  57           3HB      TYR  57   9.665   1.434   9.249
  488    HD1  TYR  57           HD1      TYR  57  10.040   1.078  12.945
  489    HD2  TYR  57           HD2      TYR  57  12.101   1.435   9.214
  490    HE1  TYR  57           HE1      TYR  57  12.150   0.494  14.057
  491    HE2  TYR  57           HE2      TYR  57  14.210   0.858  10.332
  492    HH   TYR  57           HH       TYR  57  14.355  -0.443  13.471
  493    H    LYS  58           H        LYS  58   9.225   4.141   8.078
  494    HA   LYS  58           HA       LYS  58  11.889   5.270   8.191
  495    HB2  LYS  58           2HB      LYS  58   9.821   5.794   6.016
  496    HB3  LYS  58           3HB      LYS  58  11.567   5.978   5.896
  497    HG2  LYS  58           2HG      LYS  58   9.985   3.406   6.041
  498    HG3  LYS  58           3HG      LYS  58  10.914   4.019   4.676
  499    HD2  LYS  58           2HD      LYS  58  13.008   3.641   5.871
  500    HD3  LYS  58           3HD      LYS  58  12.137   3.185   7.340
  501    HE2  LYS  58           2HE      LYS  58  12.964   1.190   6.171
  502    HE3  LYS  58           3HE      LYS  58  11.201   1.217   6.178
  503    HZ1  LYS  58           3HZ      LYS  58  12.108   0.567   4.030
  504    HZ2  LYS  58           1HZ      LYS  58  12.916   2.048   3.897
  505    HZ3  LYS  58           2HZ      LYS  58  11.225   2.004   3.907
  506    H    THR  59           H        THR  59   8.637   6.481   8.690
  507    HA   THR  59           HA       THR  59   9.563   9.309   8.629
  508    HB   THR  59           HB       THR  59   7.806   8.736   6.903
  509    HG1  THR  59           HG1      THR  59   7.632  10.817   7.270
  510   HG21  THR  59          3HG2      THR  59   5.957   8.368   9.295
  511   HG22  THR  59          1HG2      THR  59   6.467   7.086   8.189
  512   HG23  THR  59          2HG2      THR  59   5.463   8.411   7.604
  513    H    LYS  60           H        LYS  60   7.848  10.664  10.061
  514    HA   LYS  60           HA       LYS  60   8.075  10.044  12.782
  515    HB2  LYS  60           2HB      LYS  60   6.373  11.844  13.124
  516    HB3  LYS  60           3HB      LYS  60   7.635  12.318  11.991
  517    HG2  LYS  60           2HG      LYS  60   6.113  11.831  10.096
  518    HG3  LYS  60           3HG      LYS  60   4.844  11.388  11.244
  519    HD2  LYS  60           2HD      LYS  60   4.921  13.705  12.173
  520    HD3  LYS  60           3HD      LYS  60   6.132  14.131  10.960
  521    HE2  LYS  60           2HE      LYS  60   4.502  13.656   9.172
  522    HE3  LYS  60           3HE      LYS  60   3.295  13.218  10.382
  523    HZ1  LYS  60           3HZ      LYS  60   4.565  15.893  10.132
  524    HZ2  LYS  60           1HZ      LYS  60   3.351  15.458  11.229
  525    HZ3  LYS  60           2HZ      LYS  60   3.023  15.489   9.571
  526    H    ARG  61           H        ARG  61   6.745   8.979  14.259
  527    HA   ARG  61           HA       ARG  61   4.243   7.719  13.366
  528    HB2  ARG  61           2HB      ARG  61   5.133   5.451  14.228
  529    HB3  ARG  61           3HB      ARG  61   5.733   6.015  12.671
  530    HG2  ARG  61           2HG      ARG  61   7.821   6.818  13.781
  531    HG3  ARG  61           3HG      ARG  61   7.227   6.190  15.317
  532    HD2  ARG  61           2HD      ARG  61   7.269   3.903  14.424
  533    HD3  ARG  61           3HD      ARG  61   7.789   4.513  12.848
  534    HE   ARG  61           HE       ARG  61   9.761   5.442  14.309
  535   HH11  ARG  61          1HH1      ARG  61   8.292   2.338  14.683
  536   HH12  ARG  61          2HH1      ARG  61   9.768   1.570  15.142
  537   HH21  ARG  61          1HH2      ARG  61  11.604   4.459  14.929
  538   HH22  ARG  61          2HH2      ARG  61  11.636   2.772  15.293
  539    H    LYS  62           H        LYS  62   3.163   8.994  14.868
  540    HA   LYS  62           HA       LYS  62   3.723   9.211  17.639
  541    HB2  LYS  62           2HB      LYS  62   2.218  10.761  16.353
  542    HB3  LYS  62           3HB      LYS  62   1.019   9.476  16.255
  543    HG2  LYS  62           2HG      LYS  62   0.793   9.495  18.716
  544    HG3  LYS  62           3HG      LYS  62   2.000  10.773  18.825
  545    HD2  LYS  62           2HD      LYS  62  -0.639  11.069  17.339
  546    HD3  LYS  62           3HD      LYS  62  -0.419  11.522  19.027
  547    HE2  LYS  62           2HE      LYS  62  -0.237  13.530  17.750
  548    HE3  LYS  62           3HE      LYS  62   1.398  13.120  18.254
  549    HZ1  LYS  62           3HZ      LYS  62   1.225  13.869  15.925
  550    HZ2  LYS  62           1HZ      LYS  62   0.267  12.522  15.565
  551    HZ3  LYS  62           2HZ      LYS  62   1.876  12.317  16.055
  552    H    GLN  63           H        GLN  63   1.713   6.965  15.806
  553    HA   GLN  63           HA       GLN  63   0.997   5.283  18.062
  554    HB2  GLN  63           2HB      GLN  63   0.755   4.882  15.042
  555    HB3  GLN  63           3HB      GLN  63   0.173   3.721  16.227
  556    HG2  GLN  63           2HG      GLN  63  -1.714   4.984  15.466
  557    HG3  GLN  63           3HG      GLN  63  -1.373   5.472  17.123
  558   HE21  GLN  63          1HE2      GLN  63  -2.492   7.435  16.862
  559   HE22  GLN  63          2HE2      GLN  63  -1.884   8.732  15.904
  560    H    LEU  64           H        LEU  64   1.647   2.849  17.941
  561    HA   LEU  64           HA       LEU  64   4.560   2.779  18.088
  562    HB2  LEU  64           2HB      LEU  64   2.484   0.736  18.978
  563    HB3  LEU  64           3HB      LEU  64   4.209   0.556  19.220
  564    HG   LEU  64           HG       LEU  64   3.314   1.243  21.325
  565   HD11  LEU  64          1HD1      LEU  64   5.412   2.356  20.758
  566   HD12  LEU  64          2HD1      LEU  64   4.411   3.361  21.800
  567   HD13  LEU  64          3HD1      LEU  64   4.524   3.721  20.076
  568   HD21  LEU  64          3HD2      LEU  64   1.884   3.199  21.695
  569   HD22  LEU  64          1HD2      LEU  64   1.124   2.071  20.574
  570   HD23  LEU  64          2HD2      LEU  64   1.876   3.546  19.965
  571    H    SER  65           H        SER  65   4.429   2.987  15.680
  572    HA   SER  65           HA       SER  65   3.742   0.674  14.070
  573    HB2  SER  65           2HB      SER  65   4.995   3.311  13.238
  574    HB3  SER  65           3HB      SER  65   4.176   2.145  12.197
  575    HG   SER  65           HG       SER  65   2.997   4.106  13.082
  576    H    SER  66           H        SER  66   5.188  -1.008  14.121
  577    HA   SER  66           HA       SER  66   7.088  -2.239  14.301
  578    HB2  SER  66           2HB      SER  66   8.169  -0.094  12.410
  579    HB3  SER  66           3HB      SER  66   8.949  -1.648  12.717
  580    HG   SER  66           HG       SER  66   6.626  -1.067  11.273
  581    H    GLU  67           H        GLU  67   6.679  -0.644  16.446
  582    HA   GLU  67           HA       GLU  67   8.824   1.020  17.263
  583    HB2  GLU  67           2HB      GLU  67   6.569   1.146  18.249
  584    HB3  GLU  67           3HB      GLU  67   6.733  -0.478  18.901
  585    HG2  GLU  67           2HG      GLU  67   7.008   1.172  20.665
  586    HG3  GLU  67           3HG      GLU  67   8.518   0.302  20.422
  587    H    LEU  68           H        LEU  68  10.611   0.634  18.579
  588    HA   LEU  68           HA       LEU  68  11.899  -1.899  18.414
  589    HB2  LEU  68           2HB      LEU  68  12.589   0.570  20.047
  590    HB3  LEU  68           3HB      LEU  68  13.661  -0.808  19.843
  591    HG   LEU  68           HG       LEU  68  12.727   1.091  17.657
  592   HD11  LEU  68          1HD1      LEU  68  15.087   1.765  17.531
  593   HD12  LEU  68          2HD1      LEU  68  15.461   0.721  18.906
  594   HD13  LEU  68          3HD1      LEU  68  14.382   2.102  19.111
  595   HD21  LEU  68          3HD2      LEU  68  12.930  -1.155  16.731
  596   HD22  LEU  68          1HD2      LEU  68  14.551  -1.325  17.414
  597   HD23  LEU  68          2HD2      LEU  68  14.238  -0.133  16.148
  598    H    GLY  69           H        GLY  69  11.886  -3.588  19.745
  599    HA2  GLY  69           2HA      GLY  69  11.367  -3.421  22.603
  600    HA3  GLY  69           3HA      GLY  69  10.081  -4.185  21.679
  Start of MODEL   17
    1    H1   MET   1           1H       MET   1  30.635   2.119  -6.762
    2    H2   MET   1           2H       MET   1  30.762   3.806  -6.801
    3    H3   MET   1           3H       MET   1  32.142   2.857  -6.556
    4    HA   MET   1           HA       MET   1  32.028   3.743  -8.814
    5    HB2  MET   1           2HB      MET   1  33.167   1.559  -8.257
    6    HB3  MET   1           3HB      MET   1  31.691   0.708  -8.694
    7    HG2  MET   1           2HG      MET   1  33.331   0.610 -10.502
    8    HG3  MET   1           3HG      MET   1  31.909   1.527 -11.010
    9    HE1  MET   1           3HE      MET   1  34.767   3.425 -12.913
   10    HE2  MET   1           1HE      MET   1  33.145   2.753 -13.063
   11    HE3  MET   1           2HE      MET   1  34.510   1.693 -12.707
   12    H    GLY   2           H        GLY   2  30.941   3.752 -10.896
   13    HA2  GLY   2           2HA      GLY   2  28.152   4.171 -10.765
   14    HA3  GLY   2           3HA      GLY   2  29.121   4.134 -12.224
   15    H    HIS   3           H        HIS   3  27.229   2.190  -9.988
   16    HA   HIS   3           HA       HIS   3  26.478   0.349 -12.177
   17    HB2  HIS   3           2HB      HIS   3  27.171  -0.518  -9.332
   18    HB3  HIS   3           3HB      HIS   3  26.396  -1.558 -10.521
   19    HD1  HIS   3           HD1      HIS   3  27.882  -2.030 -12.743
   20    HD2  HIS   3           HD2      HIS   3  29.934  -0.568  -9.433
   21    HE1  HIS   3           HE1      HIS   3  30.300  -2.545 -13.166
   22    HE2  HIS   3           HE2      HIS   3  31.527  -1.589 -11.196
   23    H    HIS   4           H        HIS   4  25.608   0.718  -8.720
   24    HA   HIS   4           HA       HIS   4  23.669   1.022  -7.594
   25    HB2  HIS   4           2HB      HIS   4  23.863   3.231  -8.929
   26    HB3  HIS   4           3HB      HIS   4  22.643   2.580 -10.009
   27    HD1  HIS   4           HD1      HIS   4  20.215   2.352  -9.029
   28    HD2  HIS   4           HD2      HIS   4  22.921   4.246  -6.522
   29    HE1  HIS   4           HE1      HIS   4  18.833   3.488  -7.285
   30    HE2  HIS   4           HE2      HIS   4  20.496   4.478  -5.680
   31    H    HIS   5           H        HIS   5  23.874  -1.305  -9.534
   32    HA   HIS   5           HA       HIS   5  21.298  -1.689 -10.740
   33    HB2  HIS   5           2HB      HIS   5  23.278  -2.650 -11.799
   34    HB3  HIS   5           3HB      HIS   5  23.604  -3.638 -10.378
   35    HD1  HIS   5           HD1      HIS   5  20.644  -3.181 -12.765
   36    HD2  HIS   5           HD2      HIS   5  22.684  -6.193 -10.753
   37    HE1  HIS   5           HE1      HIS   5  19.488  -5.316 -13.396
   38    HE2  HIS   5           HE2      HIS   5  20.690  -7.108 -12.105
   39    H    HIS   6           H        HIS   6  19.588  -1.985  -9.492
   40    HA   HIS   6           HA       HIS   6  19.579  -4.095  -7.407
   41    HB2  HIS   6           2HB      HIS   6  17.616  -1.809  -7.888
   42    HB3  HIS   6           3HB      HIS   6  17.465  -3.024  -6.622
   43    HD1  HIS   6           HD1      HIS   6  19.847  -3.080  -5.054
   44    HD2  HIS   6           HD2      HIS   6  18.720   0.477  -6.887
   45    HE1  HIS   6           HE1      HIS   6  21.005  -1.267  -3.776
   46    HE2  HIS   6           HE2      HIS   6  20.403   0.860  -4.967
   47    H    HIS   7           H        HIS   7  17.239  -5.110  -7.312
   48    HA   HIS   7           HA       HIS   7  16.806  -6.495  -9.803
   49    HB2  HIS   7           2HB      HIS   7  15.324  -6.646  -7.143
   50    HB3  HIS   7           3HB      HIS   7  14.995  -7.699  -8.518
   51    HD1  HIS   7           HD1      HIS   7  16.688  -9.582  -9.010
   52    HD2  HIS   7           HD2      HIS   7  17.759  -7.219  -5.769
   53    HE1  HIS   7           HE1      HIS   7  18.578 -10.786  -7.891
   54    HE2  HIS   7           HE2      HIS   7  19.264  -9.297  -5.985
   55    H    HIS   8           H        HIS   8  15.350  -6.090 -11.367
   56    HA   HIS   8           HA       HIS   8  13.900  -3.660 -11.532
   57    HB2  HIS   8           2HB      HIS   8  14.775  -4.885 -13.515
   58    HB3  HIS   8           3HB      HIS   8  13.607  -6.171 -13.245
   59    HD1  HIS   8           HD1      HIS   8  13.852  -2.594 -14.401
   60    HD2  HIS   8           HD2      HIS   8  11.052  -5.657 -14.262
   61    HE1  HIS   8           HE1      HIS   8  11.915  -1.800 -15.778
   62    HE2  HIS   8           HE2      HIS   8  10.163  -3.576 -15.493
   63    H    SER   9           H        SER   9  12.946  -6.883 -10.498
   64    HA   SER   9           HA       SER   9  10.108  -6.372 -10.425
   65    HB2  SER   9           2HB      SER   9  11.756  -8.583  -9.135
   66    HB3  SER   9           3HB      SER   9   9.994  -8.545  -9.193
   67    HG   SER   9           HG       SER   9  10.106  -9.324 -11.144
   68    H    HIS  10           H        HIS  10  10.334  -4.303  -9.322
   69    HA   HIS  10           HA       HIS  10   9.761  -4.468  -6.482
   70    HB2  HIS  10           2HB      HIS  10  12.201  -2.981  -7.527
   71    HB3  HIS  10           3HB      HIS  10  11.376  -2.424  -6.077
   72    HD1  HIS  10           HD1      HIS  10  14.277  -4.122  -6.749
   73    HD2  HIS  10           HD2      HIS  10  11.024  -5.077  -4.354
   74    HE1  HIS  10           HE1      HIS  10  15.126  -5.780  -5.080
   75    HE2  HIS  10           HE2      HIS  10  13.196  -6.190  -3.532
   76    H    MET  11           H        MET  11   9.312  -2.034  -5.700
   77    HA   MET  11           HA       MET  11   7.117  -1.176  -7.370
   78    HB2  MET  11           2HB      MET  11   8.130  -0.049  -4.728
   79    HB3  MET  11           3HB      MET  11   6.602   0.374  -5.489
   80    HG2  MET  11           2HG      MET  11   5.753  -1.867  -5.174
   81    HG3  MET  11           3HG      MET  11   7.330  -2.433  -4.612
   82    HE1  MET  11           3HE      MET  11   5.162  -2.595  -1.320
   83    HE2  MET  11           1HE      MET  11   6.190  -3.514  -2.417
   84    HE3  MET  11           2HE      MET  11   4.601  -2.960  -2.951
   85    H    SER  12           H        SER  12   6.992   0.615  -8.651
   86    HA   SER  12           HA       SER  12   9.516   2.078  -9.227
   87    HB2  SER  12           2HB      SER  12   7.049   1.737 -10.984
   88    HB3  SER  12           3HB      SER  12   8.557   2.524 -11.459
   89    HG   SER  12           HG       SER  12   9.319   0.217 -10.618
   90    H    HIS  13           H        HIS  13   9.134   4.413 -10.091
   91    HA   HIS  13           HA       HIS  13   8.488   6.016  -7.952
   92    HB2  HIS  13           2HB      HIS  13   9.903   6.718  -9.856
   93    HB3  HIS  13           3HB      HIS  13   8.485   6.824 -10.889
   94    HD1  HIS  13           HD1      HIS  13  10.264   8.628  -8.122
   95    HD2  HIS  13           HD2      HIS  13   6.969   9.184 -10.578
   96    HE1  HIS  13           HE1      HIS  13   9.601  11.020  -7.824
   97    HE2  HIS  13           HE2      HIS  13   7.521  11.291  -9.204
   98    H    THR  14           H        THR  14   6.367   5.549 -10.828
   99    HA   THR  14           HA       THR  14   4.212   7.190 -10.012
  100    HB   THR  14           HB       THR  14   4.139   4.766 -11.864
  101    HG1  THR  14           HG1      THR  14   4.488   6.331 -13.514
  102   HG21  THR  14          3HG2      THR  14   2.211   5.849 -12.949
  103   HG22  THR  14          1HG2      THR  14   2.268   7.167 -11.781
  104   HG23  THR  14          2HG2      THR  14   1.859   5.532 -11.249
  105    H    GLN  15           H        GLN  15   4.844   3.726  -9.558
  106    HA   GLN  15           HA       GLN  15   2.371   2.955  -8.391
  107    HB2  GLN  15           2HB      GLN  15   3.929   1.370  -9.457
  108    HB3  GLN  15           3HB      GLN  15   5.138   1.691  -8.218
  109    HG2  GLN  15           2HG      GLN  15   3.816   0.598  -6.532
  110    HG3  GLN  15           3HG      GLN  15   2.424   0.489  -7.614
  111   HE21  GLN  15          1HE2      GLN  15   2.542  -1.003  -9.384
  112   HE22  GLN  15          2HE2      GLN  15   3.596  -2.365  -9.305
  113    H    VAL  16           H        VAL  16   5.463   3.958  -6.974
  114    HA   VAL  16           HA       VAL  16   4.860   3.681  -4.245
  115    HB   VAL  16           HB       VAL  16   6.804   5.593  -5.624
  116   HG11  VAL  16          1HG1      VAL  16   6.679   4.904  -2.660
  117   HG12  VAL  16          2HG1      VAL  16   6.320   6.474  -3.383
  118   HG13  VAL  16          3HG1      VAL  16   7.961   5.833  -3.447
  119   HG21  VAL  16          3HG2      VAL  16   8.534   3.940  -5.022
  120   HG22  VAL  16          1HG2      VAL  16   7.279   3.204  -6.018
  121   HG23  VAL  16          2HG2      VAL  16   7.309   2.907  -4.280
  122    H    ILE  17           H        ILE  17   4.265   6.401  -6.506
  123    HA   ILE  17           HA       ILE  17   3.234   8.256  -4.622
  124    HB   ILE  17           HB       ILE  17   2.534   7.984  -7.581
  125   HG12  ILE  17          2HG1      ILE  17   4.571   9.827  -6.235
  126   HG13  ILE  17          3HG1      ILE  17   4.968   8.366  -7.129
  127   HG21  ILE  17          1HG2      ILE  17   2.057  10.354  -5.729
  128   HG22  ILE  17          2HG2      ILE  17   0.817   9.313  -6.428
  129   HG23  ILE  17          3HG2      ILE  17   1.785  10.350  -7.474
  130   HD11  ILE  17          3HD1      ILE  17   5.373  10.341  -8.458
  131   HD12  ILE  17          1HD1      ILE  17   3.694  10.848  -8.280
  132   HD13  ILE  17          2HD1      ILE  17   4.085   9.377  -9.175
  133    H    GLU  18           H        GLU  18   1.603   5.672  -6.503
  134    HA   GLU  18           HA       GLU  18  -1.060   6.220  -5.658
  135    HB2  GLU  18           2HB      GLU  18   0.152   3.577  -6.553
  136    HB3  GLU  18           3HB      GLU  18  -1.574   3.916  -6.434
  137    HG2  GLU  18           2HG      GLU  18   0.383   5.281  -8.308
  138    HG3  GLU  18           3HG      GLU  18  -0.747   4.006  -8.754
  139    H    LEU  19           H        LEU  19   1.423   4.032  -4.379
  140    HA   LEU  19           HA       LEU  19   0.069   2.968  -2.158
  141    HB2  LEU  19           2HB      LEU  19   2.993   3.539  -2.717
  142    HB3  LEU  19           3HB      LEU  19   2.480   2.763  -1.234
  143    HG   LEU  19           HG       LEU  19   1.753   1.547  -3.908
  144   HD11  LEU  19          1HD1      LEU  19   4.366   1.063  -2.450
  145   HD12  LEU  19          2HD1      LEU  19   4.176   1.876  -4.005
  146   HD13  LEU  19          3HD1      LEU  19   3.776   0.167  -3.854
  147   HD21  LEU  19          3HD2      LEU  19   1.688  -0.545  -2.635
  148   HD22  LEU  19          1HD2      LEU  19   0.631   0.661  -1.902
  149   HD23  LEU  19          2HD2      LEU  19   2.198   0.304  -1.172
  150    H    GLU  20           H        GLU  20   2.048   5.956  -2.460
  151    HA   GLU  20           HA       GLU  20   1.865   6.882   0.197
  152    HB2  GLU  20           2HB      GLU  20   2.369   8.323  -2.426
  153    HB3  GLU  20           3HB      GLU  20   2.375   9.183  -0.892
  154    HG2  GLU  20           2HG      GLU  20   4.218   6.865  -1.552
  155    HG3  GLU  20           3HG      GLU  20   4.637   8.557  -1.787
  156    H    ARG  21           H        ARG  21  -0.217   7.404  -2.621
  157    HA   ARG  21           HA       ARG  21  -1.948   9.361  -1.605
  158    HB2  ARG  21           2HB      ARG  21  -2.279   7.227  -3.739
  159    HB3  ARG  21           3HB      ARG  21  -3.631   8.271  -3.310
  160    HG2  ARG  21           2HG      ARG  21  -2.357  10.254  -3.964
  161    HG3  ARG  21           3HG      ARG  21  -0.936   9.265  -4.306
  162    HD2  ARG  21           2HD      ARG  21  -2.018   8.223  -6.192
  163    HD3  ARG  21           3HD      ARG  21  -3.583   8.922  -5.761
  164    HE   ARG  21           HE       ARG  21  -1.808  11.033  -6.170
  165   HH11  ARG  21          1HH1      ARG  21  -3.148   8.505  -8.145
  166   HH12  ARG  21          2HH1      ARG  21  -3.219   9.506  -9.554
  167   HH21  ARG  21          1HH2      ARG  21  -1.939  12.289  -8.002
  168   HH22  ARG  21          2HH2      ARG  21  -2.541  11.606  -9.469
  169    H    LYS  22           H        LYS  22  -2.264   5.807  -1.585
  170    HA   LYS  22           HA       LYS  22  -4.657   5.680  -0.062
  171    HB2  LYS  22           2HB      LYS  22  -3.693   3.891  -1.583
  172    HB3  LYS  22           3HB      LYS  22  -2.510   3.544  -0.334
  173    HG2  LYS  22           2HG      LYS  22  -4.299   1.907  -0.269
  174    HG3  LYS  22           3HG      LYS  22  -4.315   2.880   1.207
  175    HD2  LYS  22           2HD      LYS  22  -6.213   4.188   0.382
  176    HD3  LYS  22           3HD      LYS  22  -6.135   3.374  -1.184
  177    HE2  LYS  22           2HE      LYS  22  -6.770   1.247  -0.141
  178    HE3  LYS  22           3HE      LYS  22  -6.768   2.003   1.454
  179    HZ1  LYS  22           3HZ      LYS  22  -8.578   3.426   0.748
  180    HZ2  LYS  22           1HZ      LYS  22  -9.007   1.805   0.553
  181    HZ3  LYS  22           2HZ      LYS  22  -8.571   2.737  -0.791
  182    H    PHE  23           H        PHE  23  -1.249   5.628   0.847
  183    HA   PHE  23           HA       PHE  23  -1.454   4.978   3.594
  184    HB2  PHE  23           2HB      PHE  23   0.622   4.801   2.202
  185    HB3  PHE  23           3HB      PHE  23   0.726   6.554   2.166
  186    HD1  PHE  23           HD2      PHE  23   0.911   3.591   4.418
  187    HD2  PHE  23           HD1      PHE  23   1.799   7.747   3.973
  188    HE1  PHE  23           HE2      PHE  23   2.289   3.510   6.444
  189    HE2  PHE  23           HE1      PHE  23   3.181   7.659   5.998
  190    HZ   PHE  23           HZ       PHE  23   3.429   5.546   7.239
  191    H    SER  24           H        SER  24  -1.364   8.130   1.936
  192    HA   SER  24           HA       SER  24  -1.287   9.761   4.266
  193    HB2  SER  24           2HB      SER  24  -1.777  11.635   2.719
  194    HB3  SER  24           3HB      SER  24  -0.514  10.582   2.078
  195    HG   SER  24           HG       SER  24  -2.008   9.674   0.679
  196    H    HIS  25           H        HIS  25  -3.964   8.260   2.502
  197    HA   HIS  25           HA       HIS  25  -6.010   9.782   3.876
  198    HB2  HIS  25           2HB      HIS  25  -6.078   7.337   2.068
  199    HB3  HIS  25           3HB      HIS  25  -7.527   8.002   2.812
  200    HD1  HIS  25           HD1      HIS  25  -8.710   8.909   0.786
  201    HD2  HIS  25           HD2      HIS  25  -4.762  10.165   0.957
  202    HE1  HIS  25           HE1      HIS  25  -8.447  10.565  -1.068
  203    HE2  HIS  25           HE2      HIS  25  -6.035  11.258  -0.996
  204    H    GLN  26           H        GLN  26  -4.846   6.394   4.013
  205    HA   GLN  26           HA       GLN  26  -5.386   6.315   6.900
  206    HB2  GLN  26           2HB      GLN  26  -6.392   4.056   6.772
  207    HB3  GLN  26           3HB      GLN  26  -7.374   5.269   5.961
  208    HG2  GLN  26           2HG      GLN  26  -6.671   4.479   3.782
  209    HG3  GLN  26           3HG      GLN  26  -5.489   3.393   4.517
  210   HE21  GLN  26          1HE2      GLN  26  -7.260   2.442   6.613
  211   HE22  GLN  26          2HE2      GLN  26  -8.410   1.420   5.844
  212    H    LYS  27           H        LYS  27  -3.876   5.280   8.043
  213    HA   LYS  27           HA       LYS  27  -1.328   4.782   6.780
  214    HB2  LYS  27           2HB      LYS  27  -2.283   4.788   9.662
  215    HB3  LYS  27           3HB      LYS  27  -0.601   4.519   9.214
  216    HG2  LYS  27           2HG      LYS  27  -2.177   7.024   8.522
  217    HG3  LYS  27           3HG      LYS  27  -1.101   6.861   9.916
  218    HD2  LYS  27           2HD      LYS  27   0.818   6.513   8.459
  219    HD3  LYS  27           3HD      LYS  27  -0.215   6.504   7.030
  220    HE2  LYS  27           2HE      LYS  27   0.148   8.893   8.869
  221    HE3  LYS  27           3HE      LYS  27   1.031   8.644   7.362
  222    HZ1  LYS  27           3HZ      LYS  27  -1.190   8.545   6.246
  223    HZ2  LYS  27           1HZ      LYS  27  -0.765  10.055   6.881
  224    HZ3  LYS  27           2HZ      LYS  27  -1.878   9.078   7.693
  225    H    TYR  28           H        TYR  28  -3.901   2.752   7.822
  226    HA   TYR  28           HA       TYR  28  -2.279   0.303   7.472
  227    HB2  TYR  28           2HB      TYR  28  -4.241   0.758   9.781
  228    HB3  TYR  28           3HB      TYR  28  -3.420  -0.759   9.428
  229    HD1  TYR  28           HD2      TYR  28  -0.827  -0.776   9.527
  230    HD2  TYR  28           HD1      TYR  28  -3.186   2.370  11.207
  231    HE1  TYR  28           HE2      TYR  28   1.086  -0.067  10.891
  232    HE2  TYR  28           HE1      TYR  28  -1.271   3.083  12.569
  233    HH   TYR  28           HH       TYR  28   0.830   2.111  13.464
  234    H    LEU  29           H        LEU  29  -3.239  -1.019   5.999
  235    HA   LEU  29           HA       LEU  29  -5.991  -0.448   5.130
  236    HB2  LEU  29           2HB      LEU  29  -3.942  -2.318   3.877
  237    HB3  LEU  29           3HB      LEU  29  -5.489  -1.859   3.184
  238    HG   LEU  29           HG       LEU  29  -2.995  -0.168   3.484
  239   HD11  LEU  29          1HD1      LEU  29  -4.701  -0.832   1.067
  240   HD12  LEU  29          2HD1      LEU  29  -3.155  -1.575   1.481
  241   HD13  LEU  29          3HD1      LEU  29  -3.224   0.137   1.072
  242   HD21  LEU  29          3HD2      LEU  29  -5.777   0.850   2.833
  243   HD22  LEU  29          1HD2      LEU  29  -4.279   1.766   2.650
  244   HD23  LEU  29          2HD2      LEU  29  -4.804   1.256   4.250
  245    H    SER  30           H        SER  30  -7.703  -1.756   5.461
  246    HA   SER  30           HA       SER  30  -7.506  -4.301   6.828
  247    HB2  SER  30           2HB      SER  30  -9.842  -2.942   5.422
  248    HB3  SER  30           3HB      SER  30  -9.979  -4.442   6.342
  249    HG   SER  30           HG       SER  30 -10.019  -3.303   8.117
  250    H    ALA  31           H        ALA  31  -8.530  -6.296   5.778
  251    HA   ALA  31           HA       ALA  31  -7.035  -7.206   3.668
  252    HB1  ALA  31           3HB      ALA  31  -8.218  -8.666   5.227
  253    HB2  ALA  31           1HB      ALA  31  -8.521  -9.132   3.558
  254    HB3  ALA  31           2HB      ALA  31  -9.757  -8.255   4.467
  255    HA   PRO  32           HA       PRO  32 -10.592  -6.236   0.361
  256    HB2  PRO  32           2HB      PRO  32 -12.130  -3.985   0.942
  257    HB3  PRO  32           3HB      PRO  32 -12.649  -5.653   1.260
  258    HG2  PRO  32           2HG      PRO  32 -11.379  -3.684   3.150
  259    HG3  PRO  32           3HG      PRO  32 -12.795  -4.731   3.411
  260    HD2  PRO  32           2HD      PRO  32 -10.414  -5.426   4.389
  261    HD3  PRO  32           3HD      PRO  32 -11.476  -6.665   3.683
  262    H    GLU  33           H        GLU  33  -9.308  -3.451   2.267
  263    HA   GLU  33           HA       GLU  33  -8.905  -1.696   0.047
  264    HB2  GLU  33           2HB      GLU  33  -7.463  -1.560   2.731
  265    HB3  GLU  33           3HB      GLU  33  -7.788  -0.229   1.623
  266    HG2  GLU  33           2HG      GLU  33  -9.778  -1.727   3.350
  267    HG3  GLU  33           3HG      GLU  33  -9.256  -0.052   3.524
  268    H    ARG  34           H        ARG  34  -6.898  -3.971   1.767
  269    HA   ARG  34           HA       ARG  34  -4.351  -3.270   0.703
  270    HB2  ARG  34           2HB      ARG  34  -4.778  -4.357   2.919
  271    HB3  ARG  34           3HB      ARG  34  -5.298  -5.815   2.082
  272    HG2  ARG  34           2HG      ARG  34  -2.995  -6.027   1.130
  273    HG3  ARG  34           3HG      ARG  34  -2.507  -4.621   2.085
  274    HD2  ARG  34           2HD      ARG  34  -1.900  -6.746   3.204
  275    HD3  ARG  34           3HD      ARG  34  -3.058  -5.812   4.162
  276    HE   ARG  34           HE       ARG  34  -4.452  -7.614   2.493
  277   HH11  ARG  34          1HH1      ARG  34  -2.440  -7.731   5.320
  278   HH12  ARG  34          2HH1      ARG  34  -3.227  -9.140   5.938
  279   HH21  ARG  34          1HH2      ARG  34  -5.420  -9.393   3.278
  280   HH22  ARG  34          2HH2      ARG  34  -4.892 -10.092   4.770
  281    H    ALA  35           H        ALA  35  -6.707  -5.867   0.028
  282    HA   ALA  35           HA       ALA  35  -5.351  -7.153  -2.097
  283    HB1  ALA  35           3HB      ALA  35  -8.334  -7.045  -1.517
  284    HB2  ALA  35           1HB      ALA  35  -7.190  -8.204  -0.837
  285    HB3  ALA  35           2HB      ALA  35  -7.526  -8.212  -2.570
  286    H    HIS  36           H        HIS  36  -7.735  -4.528  -2.029
  287    HA   HIS  36           HA       HIS  36  -8.162  -4.170  -4.786
  288    HB2  HIS  36           2HB      HIS  36  -9.609  -3.177  -3.051
  289    HB3  HIS  36           3HB      HIS  36  -8.291  -2.162  -2.482
  290    HD1  HIS  36           HD1      HIS  36 -10.888  -2.415  -5.171
  291    HD2  HIS  36           HD2      HIS  36  -7.823   0.166  -4.058
  292    HE1  HIS  36           HE1      HIS  36 -11.273  -0.302  -6.464
  293    HE2  HIS  36           HE2      HIS  36  -9.501   1.282  -5.669
  294    H    LEU  37           H        LEU  37  -5.849  -2.514  -2.582
  295    HA   LEU  37           HA       LEU  37  -4.683  -0.869  -4.617
  296    HB2  LEU  37           2HB      LEU  37  -4.662  -0.377  -2.130
  297    HB3  LEU  37           3HB      LEU  37  -3.459  -1.643  -1.941
  298    HG   LEU  37           HG       LEU  37  -1.947  -0.330  -3.518
  299   HD11  LEU  37          1HD1      LEU  37  -3.987   1.886  -3.149
  300   HD12  LEU  37          2HD1      LEU  37  -3.640   1.026  -4.651
  301   HD13  LEU  37          3HD1      LEU  37  -2.403   2.044  -3.917
  302   HD21  LEU  37          3HD2      LEU  37  -1.579  -0.263  -1.108
  303   HD22  LEU  37          1HD2      LEU  37  -2.727   1.068  -0.941
  304   HD23  LEU  37          2HD2      LEU  37  -1.220   1.299  -1.833
  305    H    ALA  38           H        ALA  38  -3.889  -4.036  -3.256
  306    HA   ALA  38           HA       ALA  38  -1.363  -4.497  -4.370
  307    HB1  ALA  38           3HB      ALA  38  -1.831  -6.889  -4.025
  308    HB2  ALA  38           1HB      ALA  38  -3.550  -6.530  -3.801
  309    HB3  ALA  38           2HB      ALA  38  -2.362  -5.935  -2.641
  310    H    LYS  39           H        LYS  39  -4.547  -5.587  -5.673
  311    HA   LYS  39           HA       LYS  39  -3.485  -6.712  -8.038
  312    HB2  LYS  39           2HB      LYS  39  -5.776  -6.979  -8.794
  313    HB3  LYS  39           3HB      LYS  39  -5.659  -7.378  -7.088
  314    HG2  LYS  39           2HG      LYS  39  -6.727  -5.315  -6.438
  315    HG3  LYS  39           3HG      LYS  39  -6.692  -4.715  -8.098
  316    HD2  LYS  39           2HD      LYS  39  -8.259  -7.155  -7.156
  317    HD3  LYS  39           3HD      LYS  39  -8.943  -5.546  -7.416
  318    HE2  LYS  39           2HE      LYS  39  -8.339  -5.665  -9.802
  319    HE3  LYS  39           3HE      LYS  39  -7.629  -7.262  -9.556
  320    HZ1  LYS  39           3HZ      LYS  39  -9.859  -7.408 -10.470
  321    HZ2  LYS  39           1HZ      LYS  39 -10.492  -6.569  -9.143
  322    HZ3  LYS  39           2HZ      LYS  39  -9.804  -8.097  -8.927
  323    H    ASN  40           H        ASN  40  -4.836  -3.496  -7.422
  324    HA   ASN  40           HA       ASN  40  -4.860  -2.530 -10.084
  325    HB2  ASN  40           2HB      ASN  40  -4.717  -1.059  -7.421
  326    HB3  ASN  40           3HB      ASN  40  -4.864  -0.228  -8.969
  327   HD21  ASN  40          1HD2      ASN  40  -6.866   0.633  -8.233
  328   HD22  ASN  40          2HD2      ASN  40  -8.305  -0.312  -8.249
  329    H    LEU  41           H        LEU  41  -2.300  -2.649  -7.670
  330    HA   LEU  41           HA       LEU  41  -0.366  -1.322  -9.481
  331    HB2  LEU  41           2HB      LEU  41  -0.119  -2.182  -6.575
  332    HB3  LEU  41           3HB      LEU  41   1.127  -1.337  -7.485
  333    HG   LEU  41           HG       LEU  41  -1.618  -0.209  -6.778
  334   HD11  LEU  41          1HD1      LEU  41  -0.407   1.315  -5.285
  335   HD12  LEU  41          2HD1      LEU  41   1.108   0.485  -5.650
  336   HD13  LEU  41          3HD1      LEU  41  -0.190  -0.370  -4.812
  337   HD21  LEU  41          3HD2      LEU  41  -0.812   0.657  -8.929
  338   HD22  LEU  41          1HD2      LEU  41   0.710   1.143  -8.179
  339   HD23  LEU  41          2HD2      LEU  41  -0.806   1.905  -7.692
  340    H    LYS  42           H        LYS  42  -1.517  -4.354  -9.227
  341    HA   LYS  42           HA       LYS  42  -0.863  -6.457  -9.597
  342    HB2  LYS  42           2HB      LYS  42   1.275  -4.994 -11.179
  343    HB3  LYS  42           3HB      LYS  42   1.125  -6.745 -11.209
  344    HG2  LYS  42           2HG      LYS  42   0.002  -5.897 -13.151
  345    HG3  LYS  42           3HG      LYS  42  -1.222  -6.496 -12.043
  346    HD2  LYS  42           2HD      LYS  42  -1.601  -4.107 -11.297
  347    HD3  LYS  42           3HD      LYS  42  -0.491  -3.589 -12.568
  348    HE2  LYS  42           2HE      LYS  42  -3.100  -5.088 -13.004
  349    HE3  LYS  42           3HE      LYS  42  -2.864  -3.357 -13.231
  350    HZ1  LYS  42           3HZ      LYS  42  -1.557  -5.528 -14.776
  351    HZ2  LYS  42           1HZ      LYS  42  -1.237  -3.877 -14.969
  352    HZ3  LYS  42           2HZ      LYS  42  -2.771  -4.490 -15.323
  353    H    LEU  43           H        LEU  43   0.299  -4.996  -7.247
  354    HA   LEU  43           HA       LEU  43   2.569  -6.644  -6.418
  355    HB2  LEU  43           2HB      LEU  43   0.897  -4.596  -4.893
  356    HB3  LEU  43           3HB      LEU  43   2.363  -5.353  -4.282
  357    HG   LEU  43           HG       LEU  43   2.254  -3.519  -6.711
  358   HD11  LEU  43          1HD1      LEU  43   3.326  -1.818  -5.282
  359   HD12  LEU  43          2HD1      LEU  43   3.124  -2.874  -3.881
  360   HD13  LEU  43          3HD1      LEU  43   1.707  -2.242  -4.721
  361   HD21  LEU  43          3HD2      LEU  43   4.704  -3.481  -6.539
  362   HD22  LEU  43          1HD2      LEU  43   4.111  -5.116  -6.823
  363   HD23  LEU  43          2HD2      LEU  43   4.648  -4.640  -5.209
  364    H    THR  44           H        THR  44   2.199  -7.535  -4.004
  365    HA   THR  44           HA       THR  44  -0.344  -9.084  -3.923
  366    HB   THR  44           HB       THR  44   0.777 -10.746  -2.563
  367    HG1  THR  44           HG1      THR  44   3.205 -10.296  -2.248
  368   HG21  THR  44          3HG2      THR  44   2.664  -9.949  -4.810
  369   HG22  THR  44          1HG2      THR  44   1.213 -10.942  -4.994
  370   HG23  THR  44          2HG2      THR  44   2.575 -11.536  -4.045
  371    H    GLU  45           H        GLU  45  -1.301  -9.432  -1.794
  372    HA   GLU  45           HA       GLU  45  -1.666  -7.163  -0.200
  373    HB2  GLU  45           2HB      GLU  45  -2.181 -10.090   0.461
  374    HB3  GLU  45           3HB      GLU  45  -2.690  -8.761   1.502
  375    HG2  GLU  45           2HG      GLU  45  -4.022  -7.859  -0.452
  376    HG3  GLU  45           3HG      GLU  45  -3.642  -9.349  -1.316
  377    H    THR  46           H        THR  46   0.713  -9.754   0.134
  378    HA   THR  46           HA       THR  46   1.613  -9.058   2.760
  379    HB   THR  46           HB       THR  46   3.079 -10.634   0.595
  380    HG1  THR  46           HG1      THR  46   2.246 -12.406   2.071
  381   HG21  THR  46          3HG2      THR  46   3.517 -10.571   3.608
  382   HG22  THR  46          1HG2      THR  46   4.617  -9.905   2.399
  383   HG23  THR  46          2HG2      THR  46   4.341 -11.645   2.478
  384    H    GLN  47           H        GLN  47   2.736  -8.209  -0.537
  385    HA   GLN  47           HA       GLN  47   4.996  -6.657   0.157
  386    HB2  GLN  47           2HB      GLN  47   3.147  -6.499  -2.248
  387    HB3  GLN  47           3HB      GLN  47   4.616  -5.532  -2.102
  388    HG2  GLN  47           2HG      GLN  47   5.976  -7.567  -2.038
  389    HG3  GLN  47           3HG      GLN  47   4.520  -8.561  -2.129
  390   HE21  GLN  47          1HE2      GLN  47   6.543  -6.291  -3.882
  391   HE22  GLN  47          2HE2      GLN  47   5.981  -6.723  -5.453
  392    H    VAL  48           H        VAL  48   1.637  -5.664  -0.446
  393    HA   VAL  48           HA       VAL  48   1.964  -2.893   0.032
  394    HB   VAL  48           HB       VAL  48  -0.531  -4.651   0.126
  395   HG11  VAL  48          1HG1      VAL  48  -0.395  -1.615   0.031
  396   HG12  VAL  48          2HG1      VAL  48  -0.983  -2.593   1.376
  397   HG13  VAL  48          3HG1      VAL  48  -1.862  -2.585  -0.152
  398   HG21  VAL  48          3HG2      VAL  48  -0.951  -3.793  -2.158
  399   HG22  VAL  48          1HG2      VAL  48   0.601  -4.628  -2.065
  400   HG23  VAL  48          2HG2      VAL  48   0.549  -2.864  -2.095
  401    H    LYS  49           H        LYS  49   0.983  -5.575   2.194
  402    HA   LYS  49           HA       LYS  49   0.468  -4.153   4.564
  403    HB2  LYS  49           2HB      LYS  49  -0.077  -6.523   4.384
  404    HB3  LYS  49           3HB      LYS  49   1.615  -6.943   4.143
  405    HG2  LYS  49           2HG      LYS  49   2.071  -6.109   6.492
  406    HG3  LYS  49           3HG      LYS  49   0.325  -5.929   6.701
  407    HD2  LYS  49           2HD      LYS  49   0.001  -8.336   6.377
  408    HD3  LYS  49           3HD      LYS  49   1.713  -8.551   6.001
  409    HE2  LYS  49           2HE      LYS  49   2.263  -7.779   8.313
  410    HE3  LYS  49           3HE      LYS  49   0.537  -7.708   8.669
  411    HZ1  LYS  49           3HZ      LYS  49   0.391 -10.078   8.245
  412    HZ2  LYS  49           1HZ      LYS  49   1.534  -9.768   9.453
  413    HZ3  LYS  49           2HZ      LYS  49   2.040 -10.151   7.885
  414    H    ILE  50           H        ILE  50   3.518  -5.626   3.449
  415    HA   ILE  50           HA       ILE  50   5.154  -4.783   5.602
  416    HB   ILE  50           HB       ILE  50   5.808  -5.809   2.807
  417   HG12  ILE  50          2HG1      ILE  50   6.035  -7.128   5.560
  418   HG13  ILE  50          3HG1      ILE  50   4.739  -7.408   4.401
  419   HG21  ILE  50          1HG2      ILE  50   7.712  -4.409   3.489
  420   HG22  ILE  50          2HG2      ILE  50   8.162  -6.114   3.503
  421   HG23  ILE  50          3HG2      ILE  50   7.823  -5.278   5.021
  422   HD11  ILE  50          3HD1      ILE  50   6.319  -9.226   4.388
  423   HD12  ILE  50          1HD1      ILE  50   7.645  -8.120   4.025
  424   HD13  ILE  50          2HD1      ILE  50   6.358  -8.379   2.842
  425    H    TRP  51           H        TRP  51   4.479  -3.297   2.413
  426    HA   TRP  51           HA       TRP  51   6.338  -1.188   2.520
  427    HB2  TRP  51           2HB      TRP  51   4.985  -1.821   0.479
  428    HB3  TRP  51           3HB      TRP  51   3.575  -1.084   1.225
  429    HD1  TRP  51           HD1      TRP  51   6.784  -0.181  -0.641
  430    HE1  TRP  51           HE1      TRP  51   6.772   2.326  -1.217
  431    HE3  TRP  51           HE3      TRP  51   2.728   1.267   2.086
  432    HZ2  TRP  51           HZ2      TRP  51   5.245   4.610  -0.595
  433    HZ3  TRP  51           HZ3      TRP  51   2.052   3.619   2.055
  434    HH2  TRP  51           HH2      TRP  51   3.287   5.269   0.741
  435    H    PHE  52           H        PHE  52   2.850  -1.097   3.394
  436    HA   PHE  52           HA       PHE  52   2.756   1.423   4.575
  437    HB2  PHE  52           2HB      PHE  52   1.061  -1.056   4.895
  438    HB3  PHE  52           3HB      PHE  52   0.777   0.299   5.983
  439    HD1  PHE  52           HD1      PHE  52   1.186  -0.353   2.282
  440    HD2  PHE  52           HD2      PHE  52  -0.790   1.917   5.315
  441    HE1  PHE  52           HE1      PHE  52  -0.149   0.790   0.565
  442    HE2  PHE  52           HE2      PHE  52  -2.121   3.048   3.595
  443    HZ   PHE  52           HZ       PHE  52  -1.803   2.495   1.218
  444    H    GLN  53           H        GLN  53   3.474  -1.680   6.158
  445    HA   GLN  53           HA       GLN  53   3.841  -0.924   8.816
  446    HB2  GLN  53           2HB      GLN  53   3.793  -3.264   8.080
  447    HB3  GLN  53           3HB      GLN  53   5.264  -3.037   7.143
  448    HG2  GLN  53           2HG      GLN  53   6.406  -2.527   9.420
  449    HG3  GLN  53           3HG      GLN  53   4.950  -3.215  10.144
  450   HE21  GLN  53          1HE2      GLN  53   7.759  -3.891   8.176
  451   HE22  GLN  53          2HE2      GLN  53   7.689  -5.609   8.323
  452    H    ASN  54           H        ASN  54   6.274  -1.065   6.215
  453    HA   ASN  54           HA       ASN  54   8.504  -0.203   7.747
  454    HB2  ASN  54           2HB      ASN  54   8.029  -0.371   4.761
  455    HB3  ASN  54           3HB      ASN  54   9.575   0.122   5.446
  456   HD21  ASN  54          1HD2      ASN  54   9.004  -2.160   3.791
  457   HD22  ASN  54          2HD2      ASN  54   9.472  -3.555   4.694
  458    H    ARG  55           H        ARG  55   6.372   1.534   5.491
  459    HA   ARG  55           HA       ARG  55   7.608   4.051   5.726
  460    HB2  ARG  55           2HB      ARG  55   4.975   3.084   4.699
  461    HB3  ARG  55           3HB      ARG  55   5.069   4.789   5.090
  462    HG2  ARG  55           2HG      ARG  55   5.498   4.471   2.736
  463    HG3  ARG  55           3HG      ARG  55   6.953   5.065   3.527
  464    HD2  ARG  55           2HD      ARG  55   6.548   2.118   2.989
  465    HD3  ARG  55           3HD      ARG  55   7.170   3.194   1.744
  466    HE   ARG  55           HE       ARG  55   8.524   2.707   4.337
  467   HH11  ARG  55          1HH1      ARG  55   8.712   3.371   0.933
  468   HH12  ARG  55          2HH1      ARG  55  10.424   3.140   0.886
  469   HH21  ARG  55          1HH2      ARG  55  10.725   2.386   4.209
  470   HH22  ARG  55          2HH2      ARG  55  11.530   2.600   2.697
  471    H    ARG  56           H        ARG  56   5.211   2.473   7.837
  472    HA   ARG  56           HA       ARG  56   4.701   4.729   9.513
  473    HB2  ARG  56           2HB      ARG  56   4.521   1.744  10.044
  474    HB3  ARG  56           3HB      ARG  56   4.056   2.946  11.241
  475    HG2  ARG  56           2HG      ARG  56   2.782   2.493   8.534
  476    HG3  ARG  56           3HG      ARG  56   2.092   2.115  10.113
  477    HD2  ARG  56           2HD      ARG  56   2.689   4.873   8.993
  478    HD3  ARG  56           3HD      ARG  56   1.103   4.151   9.255
  479    HE   ARG  56           HE       ARG  56   1.947   4.109  11.736
  480   HH11  ARG  56          1HH1      ARG  56   2.462   6.674   9.448
  481   HH12  ARG  56          2HH1      ARG  56   2.506   7.891  10.671
  482   HH21  ARG  56          1HH2      ARG  56   2.018   5.719  13.275
  483   HH22  ARG  56          2HH2      ARG  56   2.248   7.362  12.787
  484    H    TYR  57           H        TYR  57   7.322   2.472   9.316
  485    HA   TYR  57           HA       TYR  57   8.609   3.234  11.812
  486    HB2  TYR  57           2HB      TYR  57   8.678   0.914  10.796
  487    HB3  TYR  57           3HB      TYR  57   9.661   1.556   9.491
  488    HD1  TYR  57           HD1      TYR  57   9.610   0.887  13.162
  489    HD2  TYR  57           HD2      TYR  57  12.053   1.782   9.773
  490    HE1  TYR  57           HE1      TYR  57  11.617   0.344  14.471
  491    HE2  TYR  57           HE2      TYR  57  14.063   1.242  11.079
  492    HH   TYR  57           HH       TYR  57  13.958  -0.414  14.024
  493    H    LYS  58           H        LYS  58   8.707   4.157   8.444
  494    HA   LYS  58           HA       LYS  58  11.264   5.572   8.603
  495    HB2  LYS  58           2HB      LYS  58   9.338   5.142   6.300
  496    HB3  LYS  58           3HB      LYS  58  10.847   6.027   6.156
  497    HG2  LYS  58           2HG      LYS  58  10.996   3.218   7.195
  498    HG3  LYS  58           3HG      LYS  58  10.596   3.426   5.496
  499    HD2  LYS  58           2HD      LYS  58  12.942   3.105   5.556
  500    HD3  LYS  58           3HD      LYS  58  12.724   4.829   5.283
  501    HE2  LYS  58           2HE      LYS  58  13.159   3.779   8.085
  502    HE3  LYS  58           3HE      LYS  58  14.527   4.006   6.998
  503    HZ1  LYS  58           3HZ      LYS  58  14.123   6.301   6.878
  504    HZ2  LYS  58           1HZ      LYS  58  14.005   5.910   8.516
  505    HZ3  LYS  58           2HZ      LYS  58  12.606   6.180   7.604
  506    H    THR  59           H        THR  59   7.827   6.374   8.636
  507    HA   THR  59           HA       THR  59   8.154   9.186   8.018
  508    HB   THR  59           HB       THR  59   5.736   9.388   8.838
  509    HG1  THR  59           HG1      THR  59   5.289   7.739  10.137
  510   HG21  THR  59          3HG2      THR  59   6.213   9.103   6.443
  511   HG22  THR  59          1HG2      THR  59   4.744   8.240   6.894
  512   HG23  THR  59          2HG2      THR  59   6.245   7.348   6.641
  513    H    LYS  60           H        LYS  60   6.699  10.588   9.828
  514    HA   LYS  60           HA       LYS  60   8.387  11.205  11.942
  515    HB2  LYS  60           2HB      LYS  60   5.372  11.655  11.834
  516    HB3  LYS  60           3HB      LYS  60   6.500  12.511  12.882
  517    HG2  LYS  60           2HG      LYS  60   6.366  12.666   9.847
  518    HG3  LYS  60           3HG      LYS  60   5.879  13.921  10.987
  519    HD2  LYS  60           2HD      LYS  60   8.716  12.905  10.513
  520    HD3  LYS  60           3HD      LYS  60   8.060  14.454   9.983
  521    HE2  LYS  60           2HE      LYS  60   8.478  13.586  12.867
  522    HE3  LYS  60           3HE      LYS  60   9.480  14.724  11.972
  523    HZ1  LYS  60           3HZ      LYS  60   6.612  15.122  12.616
  524    HZ2  LYS  60           1HZ      LYS  60   7.621  16.221  11.824
  525    HZ3  LYS  60           2HZ      LYS  60   7.902  15.824  13.443
  526    H    ARG  61           H        ARG  61   9.061   9.653  13.303
  527    HA   ARG  61           HA       ARG  61   7.474   7.431  14.164
  528    HB2  ARG  61           2HB      ARG  61   9.997   7.451  13.668
  529    HB3  ARG  61           3HB      ARG  61  10.214   8.250  15.218
  530    HG2  ARG  61           2HG      ARG  61  10.654   5.912  15.532
  531    HG3  ARG  61           3HG      ARG  61   9.118   6.278  16.324
  532    HD2  ARG  61           2HD      ARG  61   7.908   5.381  14.316
  533    HD3  ARG  61           3HD      ARG  61   9.470   4.948  13.607
  534    HE   ARG  61           HE       ARG  61   9.440   3.745  16.078
  535   HH11  ARG  61          1HH1      ARG  61   7.378   3.543  13.290
  536   HH12  ARG  61          2HH1      ARG  61   7.005   1.880  13.574
  537   HH21  ARG  61          1HH2      ARG  61   8.924   1.643  16.414
  538   HH22  ARG  61          2HH2      ARG  61   7.858   0.827  15.325
  539    H    LYS  62           H        LYS  62   8.460  10.494  15.597
  540    HA   LYS  62           HA       LYS  62   7.838   9.977  18.316
  541    HB2  LYS  62           2HB      LYS  62   7.838  12.609  16.789
  542    HB3  LYS  62           3HB      LYS  62   7.730  12.480  18.542
  543    HG2  LYS  62           2HG      LYS  62  10.079  11.591  16.831
  544    HG3  LYS  62           3HG      LYS  62   9.995  13.068  17.794
  545    HD2  LYS  62           2HD      LYS  62   9.734  11.614  19.856
  546    HD3  LYS  62           3HD      LYS  62  10.027  10.202  18.833
  547    HE2  LYS  62           2HE      LYS  62  11.951  12.502  19.327
  548    HE3  LYS  62           3HE      LYS  62  12.088  10.869  19.974
  549    HZ1  LYS  62           3HZ      LYS  62  12.347  10.049  17.706
  550    HZ2  LYS  62           1HZ      LYS  62  13.539  11.182  18.093
  551    HZ3  LYS  62           2HZ      LYS  62  12.246  11.629  17.105
  552    H    GLN  63           H        GLN  63   5.934   9.634  19.246
  553    HA   GLN  63           HA       GLN  63   3.459   9.609  17.838
  554    HB2  GLN  63           2HB      GLN  63   4.071   9.304  20.805
  555    HB3  GLN  63           3HB      GLN  63   2.506   8.963  20.083
  556    HG2  GLN  63           2HG      GLN  63   5.108   7.497  19.568
  557    HG3  GLN  63           3HG      GLN  63   3.708   6.883  20.446
  558   HE21  GLN  63          1HE2      GLN  63   1.776   6.442  19.226
  559   HE22  GLN  63          2HE2      GLN  63   1.856   6.096  17.541
  560    H    LEU  64           H        LEU  64   4.719  11.724  20.393
  561    HA   LEU  64           HA       LEU  64   2.564  13.493  20.714
  562    HB2  LEU  64           2HB      LEU  64   4.456  13.362  22.266
  563    HB3  LEU  64           3HB      LEU  64   5.554  13.936  21.025
  564    HG   LEU  64           HG       LEU  64   4.338  16.161  21.063
  565   HD11  LEU  64          1HD1      LEU  64   2.184  15.447  21.959
  566   HD12  LEU  64          2HD1      LEU  64   2.887  16.714  22.960
  567   HD13  LEU  64          3HD1      LEU  64   2.933  15.034  23.503
  568   HD21  LEU  64          3HD2      LEU  64   5.399  16.970  23.117
  569   HD22  LEU  64          1HD2      LEU  64   6.457  15.842  22.269
  570   HD23  LEU  64          2HD2      LEU  64   5.576  15.314  23.704
  571    H    SER  65           H        SER  65   4.970  13.325  18.164
  572    HA   SER  65           HA       SER  65   4.558  16.002  17.136
  573    HB2  SER  65           2HB      SER  65   6.778  14.953  16.931
  574    HB3  SER  65           3HB      SER  65   6.101  13.647  15.961
  575    HG   SER  65           HG       SER  65   6.076  16.405  15.243
  576    H    SER  66           H        SER  66   2.166  15.613  17.012
  577    HA   SER  66           HA       SER  66   0.267  15.635  15.825
  578    HB2  SER  66           2HB      SER  66   1.556  17.052  14.293
  579    HB3  SER  66           3HB      SER  66   2.107  15.633  13.403
  580    HG   SER  66           HG       SER  66   0.391  15.992  12.236
  581    H    GLU  67           H        GLU  67  -0.926  13.825  16.179
  582    HA   GLU  67           HA       GLU  67  -1.032  11.814  14.071
  583    HB2  GLU  67           2HB      GLU  67   0.616  10.836  15.667
  584    HB3  GLU  67           3HB      GLU  67  -0.555  10.985  16.975
  585    HG2  GLU  67           2HG      GLU  67  -2.037   9.362  15.851
  586    HG3  GLU  67           3HG      GLU  67  -0.907   9.239  14.505
  587    H    LEU  68           H        LEU  68  -3.047  10.945  13.823
  588    HA   LEU  68           HA       LEU  68  -5.281  12.382  14.701
  589    HB2  LEU  68           2HB      LEU  68  -6.659  10.774  13.521
  590    HB3  LEU  68           3HB      LEU  68  -5.254  11.175  12.564
  591    HG   LEU  68           HG       LEU  68  -5.553   8.565  14.124
  592   HD11  LEU  68          1HD1      LEU  68  -7.273   8.668  12.399
  593   HD12  LEU  68          2HD1      LEU  68  -6.041   7.492  11.949
  594   HD13  LEU  68          3HD1      LEU  68  -6.067   9.080  11.176
  595   HD21  LEU  68          3HD2      LEU  68  -3.542   9.353  11.980
  596   HD22  LEU  68          1HD2      LEU  68  -3.702   7.744  12.697
  597   HD23  LEU  68          2HD2      LEU  68  -3.204   9.107  13.694
  598    H    GLY  69           H        GLY  69  -6.531  12.305  16.452
  599    HA2  GLY  69           2HA      GLY  69  -7.628  10.207  17.828
  600    HA3  GLY  69           3HA      GLY  69  -6.075  10.434  18.627
  Start of MODEL   18
    1    H1   MET   1           1H       MET   1  38.860 -13.612   2.272
    2    H2   MET   1           2H       MET   1  39.597 -14.689   1.193
    3    H3   MET   1           3H       MET   1  38.575 -15.273   2.408
    4    HA   MET   1           HA       MET   1  37.743 -13.511   0.190
    5    HB2  MET   1           2HB      MET   1  36.599 -15.514  -0.759
    6    HB3  MET   1           3HB      MET   1  38.342 -15.723  -0.681
    7    HG2  MET   1           2HG      MET   1  38.123 -17.159   1.286
    8    HG3  MET   1           3HG      MET   1  36.381 -16.894   1.317
    9    HE1  MET   1           3HE      MET   1  39.380 -18.540  -0.643
   10    HE2  MET   1           1HE      MET   1  38.667 -17.505  -1.880
   11    HE3  MET   1           2HE      MET   1  38.543 -19.257  -2.023
   12    H    GLY   2           H        GLY   2  35.486 -13.070   0.099
   13    HA2  GLY   2           2HA      GLY   2  33.414 -14.089   1.589
   14    HA3  GLY   2           3HA      GLY   2  34.113 -12.854   2.624
   15    H    HIS   3           H        HIS   3  31.579 -13.299   0.755
   16    HA   HIS   3           HA       HIS   3  30.991 -10.523   0.521
   17    HB2  HIS   3           2HB      HIS   3  30.549 -10.480  -1.965
   18    HB3  HIS   3           3HB      HIS   3  32.252 -10.607  -1.549
   19    HD1  HIS   3           HD1      HIS   3  33.484 -12.736  -2.270
   20    HD2  HIS   3           HD2      HIS   3  29.469 -12.771  -3.278
   21    HE1  HIS   3           HE1      HIS   3  33.201 -14.678  -3.819
   22    HE2  HIS   3           HE2      HIS   3  30.734 -14.767  -4.282
   23    H    HIS   4           H        HIS   4  28.854 -10.283   0.895
   24    HA   HIS   4           HA       HIS   4  26.941 -12.371   0.027
   25    HB2  HIS   4           2HB      HIS   4  27.385 -12.674   2.462
   26    HB3  HIS   4           3HB      HIS   4  26.896 -11.013   2.764
   27    HD1  HIS   4           HD1      HIS   4  25.514 -14.411   2.042
   28    HD2  HIS   4           HD2      HIS   4  24.085 -10.570   2.708
   29    HE1  HIS   4           HE1      HIS   4  23.056 -14.664   2.418
   30    HE2  HIS   4           HE2      HIS   4  22.273 -12.371   3.052
   31    H    HIS   5           H        HIS   5  26.389 -11.082  -1.725
   32    HA   HIS   5           HA       HIS   5  24.646  -8.752  -1.098
   33    HB2  HIS   5           2HB      HIS   5  26.407  -9.180  -3.559
   34    HB3  HIS   5           3HB      HIS   5  25.171  -7.931  -3.443
   35    HD1  HIS   5           HD1      HIS   5  25.753  -5.821  -2.143
   36    HD2  HIS   5           HD2      HIS   5  28.721  -8.721  -1.910
   37    HE1  HIS   5           HE1      HIS   5  27.721  -4.687  -1.097
   38    HE2  HIS   5           HE2      HIS   5  29.481  -6.463  -0.929
   39    H    HIS   6           H        HIS   6  22.545  -9.060  -1.640
   40    HA   HIS   6           HA       HIS   6  21.871 -10.669  -4.003
   41    HB2  HIS   6           2HB      HIS   6  20.032 -11.855  -2.837
   42    HB3  HIS   6           3HB      HIS   6  21.606 -12.273  -2.178
   43    HD1  HIS   6           HD1      HIS   6  18.323 -10.863  -1.246
   44    HD2  HIS   6           HD2      HIS   6  22.088 -11.230   0.474
   45    HE1  HIS   6           HE1      HIS   6  17.992 -10.450   1.198
   46    HE2  HIS   6           HE2      HIS   6  20.239 -10.848   2.229
   47    H    HIS   7           H        HIS   7  20.258  -9.850  -5.184
   48    HA   HIS   7           HA       HIS   7  19.410  -7.159  -4.758
   49    HB2  HIS   7           2HB      HIS   7  18.513  -9.187  -6.847
   50    HB3  HIS   7           3HB      HIS   7  18.170  -7.462  -6.902
   51    HD1  HIS   7           HD1      HIS   7  20.435  -9.861  -8.244
   52    HD2  HIS   7           HD2      HIS   7  20.787  -5.916  -6.978
   53    HE1  HIS   7           HE1      HIS   7  22.499  -8.977  -9.352
   54    HE2  HIS   7           HE2      HIS   7  22.784  -6.659  -8.437
   55    H    HIS   8           H        HIS   8  17.146  -6.436  -4.945
   56    HA   HIS   8           HA       HIS   8  15.028  -8.349  -4.181
   57    HB2  HIS   8           2HB      HIS   8  15.519  -5.642  -2.855
   58    HB3  HIS   8           3HB      HIS   8  13.987  -6.508  -2.741
   59    HD1  HIS   8           HD1      HIS   8  13.973  -8.700  -1.328
   60    HD2  HIS   8           HD2      HIS   8  17.548  -6.599  -1.161
   61    HE1  HIS   8           HE1      HIS   8  15.196  -9.619   0.649
   62    HE2  HIS   8           HE2      HIS   8  17.245  -8.195   0.842
   63    H    SER   9           H        SER   9  13.390  -8.217  -5.605
   64    HA   SER   9           HA       SER   9  13.195  -6.202  -7.619
   65    HB2  SER   9           2HB      SER   9  11.160  -8.307  -6.777
   66    HB3  SER   9           3HB      SER   9  11.086  -7.345  -8.255
   67    HG   SER   9           HG       SER   9  12.479  -8.637  -9.144
   68    H    HIS  10           H        HIS  10  13.111  -4.253  -6.416
   69    HA   HIS  10           HA       HIS  10  11.015  -3.700  -4.496
   70    HB2  HIS  10           2HB      HIS  10  13.178  -1.963  -5.754
   71    HB3  HIS  10           3HB      HIS  10  12.001  -1.333  -4.604
   72    HD1  HIS  10           HD1      HIS  10  11.982  -2.808  -2.229
   73    HD2  HIS  10           HD2      HIS  10  15.454  -2.831  -4.505
   74    HE1  HIS  10           HE1      HIS  10  13.806  -3.465  -0.657
   75    HE2  HIS  10           HE2      HIS  10  15.912  -3.344  -2.024
   76    H    MET  11           H        MET  11   9.570  -1.831  -4.710
   77    HA   MET  11           HA       MET  11   7.998  -1.878  -7.095
   78    HB2  MET  11           2HB      MET  11   7.798  -0.009  -4.695
   79    HB3  MET  11           3HB      MET  11   6.534  -0.297  -5.891
   80    HG2  MET  11           2HG      MET  11   6.306  -2.603  -5.156
   81    HG3  MET  11           3HG      MET  11   7.667  -2.420  -4.045
   82    HE1  MET  11           3HE      MET  11   5.050  -3.614  -2.865
   83    HE2  MET  11           1HE      MET  11   4.822  -2.626  -1.425
   84    HE3  MET  11           2HE      MET  11   6.440  -3.166  -1.871
   85    H    SER  12           H        SER  12   7.255   0.170  -8.192
   86    HA   SER  12           HA       SER  12   9.522   1.718  -9.188
   87    HB2  SER  12           2HB      SER  12   7.932   0.969 -10.868
   88    HB3  SER  12           3HB      SER  12   6.575   1.627  -9.961
   89    HG   SER  12           HG       SER  12   8.297   2.882 -11.695
   90    H    HIS  13           H        HIS  13   9.519   4.103  -9.218
   91    HA   HIS  13           HA       HIS  13   8.889   5.369  -6.774
   92    HB2  HIS  13           2HB      HIS  13  10.687   6.218  -8.233
   93    HB3  HIS  13           3HB      HIS  13   9.515   6.641  -9.477
   94    HD1  HIS  13           HD1      HIS  13  10.540   7.676  -5.973
   95    HD2  HIS  13           HD2      HIS  13   8.374   9.160  -9.196
   96    HE1  HIS  13           HE1      HIS  13  10.021  10.056  -5.398
   97    HE2  HIS  13           HE2      HIS  13   8.780  10.954  -7.386
   98    H    THR  14           H        THR  14   7.204   5.383  -9.922
   99    HA   THR  14           HA       THR  14   5.110   7.201  -9.279
  100    HB   THR  14           HB       THR  14   5.117   4.925 -11.329
  101    HG1  THR  14           HG1      THR  14   6.510   6.162 -12.310
  102   HG21  THR  14          3HG2      THR  14   3.411   6.257 -12.527
  103   HG22  THR  14          1HG2      THR  14   3.414   7.456 -11.237
  104   HG23  THR  14          2HG2      THR  14   2.830   5.818 -10.920
  105    H    GLN  15           H        GLN  15   5.483   3.715  -8.974
  106    HA   GLN  15           HA       GLN  15   2.862   3.012  -8.147
  107    HB2  GLN  15           2HB      GLN  15   4.468   1.425  -9.088
  108    HB3  GLN  15           3HB      GLN  15   5.547   1.653  -7.718
  109    HG2  GLN  15           2HG      GLN  15   3.969   0.556  -6.231
  110    HG3  GLN  15           3HG      GLN  15   2.765   0.463  -7.523
  111   HE21  GLN  15          1HE2      GLN  15   2.673  -1.772  -7.460
  112   HE22  GLN  15          2HE2      GLN  15   3.957  -2.775  -8.009
  113    H    VAL  16           H        VAL  16   5.797   3.883  -6.302
  114    HA   VAL  16           HA       VAL  16   4.702   3.570  -3.706
  115    HB   VAL  16           HB       VAL  16   6.992   5.382  -4.614
  116   HG11  VAL  16          1HG1      VAL  16   6.099   6.192  -2.465
  117   HG12  VAL  16          2HG1      VAL  16   7.684   5.461  -2.224
  118   HG13  VAL  16          3HG1      VAL  16   6.225   4.573  -1.771
  119   HG21  VAL  16          3HG2      VAL  16   7.080   2.615  -3.315
  120   HG22  VAL  16          1HG2      VAL  16   8.481   3.598  -3.758
  121   HG23  VAL  16          2HG2      VAL  16   7.415   2.968  -5.011
  122    H    ILE  17           H        ILE  17   4.709   6.326  -5.983
  123    HA   ILE  17           HA       ILE  17   3.511   8.283  -4.346
  124    HB   ILE  17           HB       ILE  17   3.257   7.866  -7.364
  125   HG12  ILE  17          2HG1      ILE  17   5.025   9.810  -5.788
  126   HG13  ILE  17          3HG1      ILE  17   5.579   8.308  -6.517
  127   HG21  ILE  17          1HG2      ILE  17   1.359   9.228  -6.601
  128   HG22  ILE  17          2HG2      ILE  17   2.489  10.228  -7.510
  129   HG23  ILE  17          3HG2      ILE  17   2.453  10.321  -5.747
  130   HD11  ILE  17          3HD1      ILE  17   5.083   9.189  -8.738
  131   HD12  ILE  17          1HD1      ILE  17   6.190  10.237  -7.852
  132   HD13  ILE  17          2HD1      ILE  17   4.495  10.691  -8.017
  133    H    GLU  18           H        GLU  18   2.026   5.820  -6.461
  134    HA   GLU  18           HA       GLU  18  -0.695   6.269  -5.975
  135    HB2  GLU  18           2HB      GLU  18   0.800   3.678  -6.524
  136    HB3  GLU  18           3HB      GLU  18  -0.950   3.839  -6.619
  137    HG2  GLU  18           2HG      GLU  18   0.928   5.505  -8.318
  138    HG3  GLU  18           3HG      GLU  18   0.379   3.906  -8.809
  139    H    LEU  19           H        LEU  19   1.530   4.034  -4.296
  140    HA   LEU  19           HA       LEU  19  -0.125   3.056  -2.272
  141    HB2  LEU  19           2HB      LEU  19   2.858   3.575  -2.415
  142    HB3  LEU  19           3HB      LEU  19   2.134   2.829  -1.006
  143    HG   LEU  19           HG       LEU  19   1.823   1.605  -3.769
  144   HD11  LEU  19          1HD1      LEU  19   3.709   0.121  -3.268
  145   HD12  LEU  19          2HD1      LEU  19   4.044   1.022  -1.787
  146   HD13  LEU  19          3HD1      LEU  19   4.225   1.804  -3.358
  147   HD21  LEU  19          3HD2      LEU  19   0.261   0.823  -2.025
  148   HD22  LEU  19          1HD2      LEU  19   1.621   0.395  -0.983
  149   HD23  LEU  19          2HD2      LEU  19   1.370  -0.454  -2.511
  150    H    GLU  20           H        GLU  20   1.795   6.058  -2.371
  151    HA   GLU  20           HA       GLU  20   1.272   6.896   0.314
  152    HB2  GLU  20           2HB      GLU  20   2.399   8.391  -2.075
  153    HB3  GLU  20           3HB      GLU  20   2.220   9.122  -0.480
  154    HG2  GLU  20           2HG      GLU  20   3.745   7.399   0.458
  155    HG3  GLU  20           3HG      GLU  20   3.954   6.718  -1.154
  156    H    ARG  21           H        ARG  21  -0.335   7.435  -2.772
  157    HA   ARG  21           HA       ARG  21  -2.114   9.495  -1.996
  158    HB2  ARG  21           2HB      ARG  21  -2.377   7.296  -4.090
  159    HB3  ARG  21           3HB      ARG  21  -3.581   8.567  -3.886
  160    HG2  ARG  21           2HG      ARG  21  -1.932  10.279  -4.441
  161    HG3  ARG  21           3HG      ARG  21  -0.659   9.065  -4.539
  162    HD2  ARG  21           2HD      ARG  21  -1.726   8.049  -6.488
  163    HD3  ARG  21           3HD      ARG  21  -3.098   9.160  -6.349
  164    HE   ARG  21           HE       ARG  21  -0.754  10.679  -6.558
  165   HH11  ARG  21          1HH1      ARG  21  -2.529   8.528  -8.608
  166   HH12  ARG  21          2HH1      ARG  21  -2.107   9.394 -10.044
  167   HH21  ARG  21          1HH2      ARG  21  -0.233  11.749  -8.405
  168   HH22  ARG  21          2HH2      ARG  21  -0.825  11.185  -9.929
  169    H    LYS  22           H        LYS  22  -2.208   5.990  -1.597
  170    HA   LYS  22           HA       LYS  22  -4.793   5.911  -0.294
  171    HB2  LYS  22           2HB      LYS  22  -3.839   3.998  -1.610
  172    HB3  LYS  22           3HB      LYS  22  -2.573   3.813  -0.402
  173    HG2  LYS  22           2HG      LYS  22  -4.252   2.135   0.001
  174    HG3  LYS  22           3HG      LYS  22  -4.335   3.322   1.307
  175    HD2  LYS  22           2HD      LYS  22  -6.272   4.418   0.149
  176    HD3  LYS  22           3HD      LYS  22  -6.206   3.167  -1.095
  177    HE2  LYS  22           2HE      LYS  22  -6.722   1.449   0.584
  178    HE3  LYS  22           3HE      LYS  22  -6.730   2.676   1.856
  179    HZ1  LYS  22           3HZ      LYS  22  -8.570   3.758   0.679
  180    HZ2  LYS  22           1HZ      LYS  22  -8.953   2.195   1.193
  181    HZ3  LYS  22           2HZ      LYS  22  -8.602   2.488  -0.434
  182    H    PHE  23           H        PHE  23  -1.406   5.961   0.720
  183    HA   PHE  23           HA       PHE  23  -1.654   5.472   3.483
  184    HB2  PHE  23           2HB      PHE  23   0.438   5.337   2.062
  185    HB3  PHE  23           3HB      PHE  23   0.502   7.089   2.072
  186    HD1  PHE  23           HD2      PHE  23   0.635   4.087   4.299
  187    HD2  PHE  23           HD1      PHE  23   1.617   8.230   3.871
  188    HE1  PHE  23           HE2      PHE  23   2.024   3.964   6.318
  189    HE2  PHE  23           HE1      PHE  23   3.007   8.097   5.891
  190    HZ   PHE  23           HZ       PHE  23   3.215   5.967   7.115
  191    H    SER  24           H        SER  24  -1.818   8.449   1.598
  192    HA   SER  24           HA       SER  24  -1.891  10.412   3.540
  193    HB2  SER  24           2HB      SER  24  -3.346  10.255   0.874
  194    HB3  SER  24           3HB      SER  24  -3.255  11.726   1.850
  195    HG   SER  24           HG       SER  24  -1.370  10.552   0.240
  196    H    HIS  25           H        HIS  25  -4.543   8.276   2.465
  197    HA   HIS  25           HA       HIS  25  -6.515   9.528   4.185
  198    HB2  HIS  25           2HB      HIS  25  -6.628   6.924   2.596
  199    HB3  HIS  25           3HB      HIS  25  -8.001   7.678   3.410
  200    HD1  HIS  25           HD1      HIS  25  -8.765  10.042   2.404
  201    HD2  HIS  25           HD2      HIS  25  -6.153   7.852   0.060
  202    HE1  HIS  25           HE1      HIS  25  -8.883  11.079   0.135
  203    HE2  HIS  25           HE2      HIS  25  -7.126   9.875  -1.192
  204    H    GLN  26           H        GLN  26  -4.589   6.512   4.212
  205    HA   GLN  26           HA       GLN  26  -5.009   6.170   7.092
  206    HB2  GLN  26           2HB      GLN  26  -5.857   3.842   6.845
  207    HB3  GLN  26           3HB      GLN  26  -6.960   5.035   6.170
  208    HG2  GLN  26           2HG      GLN  26  -6.025   4.501   3.888
  209    HG3  GLN  26           3HG      GLN  26  -5.099   3.201   4.639
  210   HE21  GLN  26          1HE2      GLN  26  -6.252   1.389   5.453
  211   HE22  GLN  26          2HE2      GLN  26  -7.838   1.020   4.894
  212    H    LYS  27           H        LYS  27  -3.344   5.193   8.091
  213    HA   LYS  27           HA       LYS  27  -0.838   4.985   6.719
  214    HB2  LYS  27           2HB      LYS  27  -1.536   4.362   9.613
  215    HB3  LYS  27           3HB      LYS  27   0.096   4.582   8.978
  216    HG2  LYS  27           2HG      LYS  27  -2.085   6.686   9.183
  217    HG3  LYS  27           3HG      LYS  27  -0.590   6.604  10.123
  218    HD2  LYS  27           2HD      LYS  27   0.719   6.965   8.028
  219    HD3  LYS  27           3HD      LYS  27  -0.786   7.082   7.113
  220    HE2  LYS  27           2HE      LYS  27   0.074   9.310   7.563
  221    HE3  LYS  27           3HE      LYS  27  -1.422   9.069   8.468
  222    HZ1  LYS  27           3HZ      LYS  27   0.214  10.136   9.829
  223    HZ2  LYS  27           1HZ      LYS  27   1.337   8.905   9.540
  224    HZ3  LYS  27           2HZ      LYS  27  -0.065   8.582  10.427
  225    H    TYR  28           H        TYR  28  -3.190   2.638   7.593
  226    HA   TYR  28           HA       TYR  28  -1.680   0.520   6.306
  227    HB2  TYR  28           2HB      TYR  28  -2.237  -1.113   8.245
  228    HB3  TYR  28           3HB      TYR  28  -0.889  -0.015   8.483
  229    HD1  TYR  28           HD1      TYR  28  -4.358  -0.803   9.563
  230    HD2  TYR  28           HD2      TYR  28  -0.989   1.771  10.162
  231    HE1  TYR  28           HE1      TYR  28  -5.335   0.006  11.670
  232    HE2  TYR  28           HE2      TYR  28  -1.967   2.572  12.252
  233    HH   TYR  28           HH       TYR  28  -4.490   1.075  13.825
  234    H    LEU  29           H        LEU  29  -3.107  -1.426   5.899
  235    HA   LEU  29           HA       LEU  29  -5.844  -0.434   5.275
  236    HB2  LEU  29           2HB      LEU  29  -4.280  -2.552   3.753
  237    HB3  LEU  29           3HB      LEU  29  -5.794  -1.804   3.273
  238    HG   LEU  29           HG       LEU  29  -3.012  -0.576   3.247
  239   HD11  LEU  29          1HD1      LEU  29  -3.460  -0.214   0.879
  240   HD12  LEU  29          2HD1      LEU  29  -5.064  -0.932   1.048
  241   HD13  LEU  29          3HD1      LEU  29  -3.624  -1.919   1.297
  242   HD21  LEU  29          3HD2      LEU  29  -4.018   1.549   2.513
  243   HD22  LEU  29          1HD2      LEU  29  -4.469   1.143   4.166
  244   HD23  LEU  29          2HD2      LEU  29  -5.626   0.908   2.857
  245    H    SER  30           H        SER  30  -7.626  -1.888   5.332
  246    HA   SER  30           HA       SER  30  -7.444  -4.299   6.971
  247    HB2  SER  30           2HB      SER  30  -9.782  -3.164   5.367
  248    HB3  SER  30           3HB      SER  30  -9.886  -4.521   6.491
  249    HG   SER  30           HG       SER  30 -10.368  -2.954   7.832
  250    H    ALA  31           H        ALA  31  -8.418  -6.393   5.989
  251    HA   ALA  31           HA       ALA  31  -6.887  -7.344   3.886
  252    HB1  ALA  31           3HB      ALA  31  -8.255  -9.355   3.917
  253    HB2  ALA  31           1HB      ALA  31  -9.522  -8.509   4.815
  254    HB3  ALA  31           2HB      ALA  31  -7.953  -8.795   5.560
  255    HA   PRO  32           HA       PRO  32 -10.679  -6.597   0.720
  256    HB2  PRO  32           2HB      PRO  32 -12.101  -4.256   1.421
  257    HB3  PRO  32           3HB      PRO  32 -12.688  -5.920   1.619
  258    HG2  PRO  32           2HG      PRO  32 -11.388  -4.122   3.638
  259    HG3  PRO  32           3HG      PRO  32 -12.769  -5.226   3.837
  260    HD2  PRO  32           2HD      PRO  32 -10.350  -5.909   4.731
  261    HD3  PRO  32           3HD      PRO  32 -11.390  -7.130   3.963
  262    H    GLU  33           H        GLU  33  -9.472  -3.654   2.430
  263    HA   GLU  33           HA       GLU  33  -9.023  -2.075   0.116
  264    HB2  GLU  33           2HB      GLU  33  -7.694  -1.820   2.850
  265    HB3  GLU  33           3HB      GLU  33  -7.785  -0.555   1.626
  266    HG2  GLU  33           2HG      GLU  33 -10.143  -1.761   3.118
  267    HG3  GLU  33           3HG      GLU  33  -9.386  -0.211   3.475
  268    H    ARG  34           H        ARG  34  -6.979  -4.317   1.875
  269    HA   ARG  34           HA       ARG  34  -4.448  -3.608   0.797
  270    HB2  ARG  34           2HB      ARG  34  -4.823  -4.799   2.957
  271    HB3  ARG  34           3HB      ARG  34  -5.371  -6.216   2.072
  272    HG2  ARG  34           2HG      ARG  34  -3.107  -6.438   1.072
  273    HG3  ARG  34           3HG      ARG  34  -2.577  -5.025   1.995
  274    HD2  ARG  34           2HD      ARG  34  -1.901  -7.137   3.089
  275    HD3  ARG  34           3HD      ARG  34  -3.008  -6.204   4.103
  276    HE   ARG  34           HE       ARG  34  -4.007  -8.413   2.413
  277   HH11  ARG  34          1HH1      ARG  34  -3.675  -7.053   5.588
  278   HH12  ARG  34          2HH1      ARG  34  -4.692  -8.250   6.305
  279   HH21  ARG  34          1HH2      ARG  34  -5.287  -9.907   3.354
  280   HH22  ARG  34          2HH2      ARG  34  -5.586  -9.856   5.059
  281    H    ALA  35           H        ALA  35  -6.746  -6.236   0.060
  282    HA   ALA  35           HA       ALA  35  -5.389  -7.380  -2.149
  283    HB1  ALA  35           3HB      ALA  35  -7.524  -8.523  -2.598
  284    HB2  ALA  35           1HB      ALA  35  -8.354  -7.431  -1.479
  285    HB3  ALA  35           2HB      ALA  35  -7.141  -8.560  -0.877
  286    H    HIS  36           H        HIS  36  -7.914  -4.896  -1.921
  287    HA   HIS  36           HA       HIS  36  -8.472  -4.528  -4.657
  288    HB2  HIS  36           2HB      HIS  36  -9.940  -3.727  -2.825
  289    HB3  HIS  36           3HB      HIS  36  -8.727  -2.545  -2.350
  290    HD1  HIS  36           HD1      HIS  36 -11.196  -3.260  -5.126
  291    HD2  HIS  36           HD2      HIS  36  -8.780  -0.164  -3.789
  292    HE1  HIS  36           HE1      HIS  36 -11.872  -1.255  -6.460
  293    HE2  HIS  36           HE2      HIS  36 -10.322   0.573  -5.714
  294    H    LEU  37           H        LEU  37  -6.170  -2.837  -2.499
  295    HA   LEU  37           HA       LEU  37  -5.177  -1.008  -4.457
  296    HB2  LEU  37           2HB      LEU  37  -4.997  -0.699  -1.966
  297    HB3  LEU  37           3HB      LEU  37  -3.792  -1.979  -1.926
  298    HG   LEU  37           HG       LEU  37  -2.341  -0.569  -3.464
  299   HD11  LEU  37          1HD1      LEU  37  -4.373   1.612  -2.903
  300   HD12  LEU  37          2HD1      LEU  37  -4.084   0.828  -4.458
  301   HD13  LEU  37          3HD1      LEU  37  -2.821   1.814  -3.728
  302   HD21  LEU  37          3HD2      LEU  37  -1.566   0.976  -1.735
  303   HD22  LEU  37          1HD2      LEU  37  -1.914  -0.615  -1.063
  304   HD23  LEU  37          2HD2      LEU  37  -3.048   0.714  -0.810
  305    H    ALA  38           H        ALA  38  -4.072  -4.164  -3.259
  306    HA   ALA  38           HA       ALA  38  -1.623  -4.412  -4.550
  307    HB1  ALA  38           3HB      ALA  38  -1.872  -6.834  -4.225
  308    HB2  ALA  38           1HB      ALA  38  -3.600  -6.624  -3.909
  309    HB3  ALA  38           2HB      ALA  38  -2.408  -5.943  -2.801
  310    H    LYS  39           H        LYS  39  -4.826  -5.545  -5.764
  311    HA   LYS  39           HA       LYS  39  -3.859  -6.544  -8.234
  312    HB2  LYS  39           2HB      LYS  39  -6.217  -6.671  -8.930
  313    HB3  LYS  39           3HB      LYS  39  -6.001  -7.280  -7.294
  314    HG2  LYS  39           2HG      LYS  39  -6.856  -5.105  -6.403
  315    HG3  LYS  39           3HG      LYS  39  -7.155  -4.572  -8.058
  316    HD2  LYS  39           2HD      LYS  39  -8.444  -6.996  -6.740
  317    HD3  LYS  39           3HD      LYS  39  -9.205  -5.412  -6.905
  318    HE2  LYS  39           2HE      LYS  39  -8.311  -7.164  -9.223
  319    HE3  LYS  39           3HE      LYS  39  -9.968  -7.022  -8.637
  320    HZ1  LYS  39           3HZ      LYS  39  -8.334  -4.831  -9.786
  321    HZ2  LYS  39           1HZ      LYS  39  -9.909  -4.669  -9.192
  322    HZ3  LYS  39           2HZ      LYS  39  -9.612  -5.632 -10.546
  323    H    ASN  40           H        ASN  40  -5.010  -3.306  -7.321
  324    HA   ASN  40           HA       ASN  40  -5.093  -2.145  -9.919
  325    HB2  ASN  40           2HB      ASN  40  -4.661  -0.865  -7.191
  326    HB3  ASN  40           3HB      ASN  40  -4.859   0.064  -8.674
  327   HD21  ASN  40          1HD2      ASN  40  -6.506   0.018  -6.272
  328   HD22  ASN  40          2HD2      ASN  40  -8.096  -0.400  -6.798
  329    H    LEU  41           H        LEU  41  -2.482  -2.378  -7.505
  330    HA   LEU  41           HA       LEU  41  -0.601  -0.943  -9.277
  331    HB2  LEU  41           2HB      LEU  41  -0.200  -1.783  -6.383
  332    HB3  LEU  41           3HB      LEU  41   0.819  -0.692  -7.315
  333    HG   LEU  41           HG       LEU  41  -1.994  -0.161  -6.274
  334   HD11  LEU  41          1HD1      LEU  41  -0.223   0.149  -4.627
  335   HD12  LEU  41          2HD1      LEU  41  -0.944   1.695  -5.066
  336   HD13  LEU  41          3HD1      LEU  41   0.634   1.242  -5.718
  337   HD21  LEU  41          3HD2      LEU  41  -0.395   1.589  -8.176
  338   HD22  LEU  41          1HD2      LEU  41  -1.884   2.061  -7.355
  339   HD23  LEU  41          2HD2      LEU  41  -1.910   0.756  -8.536
  340    H    LYS  42           H        LYS  42  -1.508  -4.003  -9.197
  341    HA   LYS  42           HA       LYS  42  -0.681  -6.013  -9.736
  342    HB2  LYS  42           2HB      LYS  42   1.493  -4.245 -10.915
  343    HB3  LYS  42           3HB      LYS  42   1.523  -5.991 -11.117
  344    HG2  LYS  42           2HG      LYS  42   0.540  -5.056 -13.086
  345    HG3  LYS  42           3HG      LYS  42  -0.731  -5.873 -12.191
  346    HD2  LYS  42           2HD      LYS  42  -1.370  -3.563 -11.266
  347    HD3  LYS  42           3HD      LYS  42  -0.270  -2.877 -12.463
  348    HE2  LYS  42           2HE      LYS  42  -2.729  -4.572 -13.024
  349    HE3  LYS  42           3HE      LYS  42  -2.575  -2.836 -13.284
  350    HZ1  LYS  42           3HZ      LYS  42  -0.939  -4.886 -14.658
  351    HZ2  LYS  42           1HZ      LYS  42  -0.961  -3.228 -14.980
  352    HZ3  LYS  42           2HZ      LYS  42  -2.323  -4.174 -15.310
  353    H    LEU  43           H        LEU  43   0.007  -4.888  -7.105
  354    HA   LEU  43           HA       LEU  43   2.408  -6.359  -6.264
  355    HB2  LEU  43           2HB      LEU  43   0.449  -4.575  -4.751
  356    HB3  LEU  43           3HB      LEU  43   1.842  -5.352  -4.007
  357    HG   LEU  43           HG       LEU  43   2.009  -3.298  -6.247
  358   HD11  LEU  43          1HD1      LEU  43   1.175  -2.233  -4.216
  359   HD12  LEU  43          2HD1      LEU  43   2.829  -1.725  -4.544
  360   HD13  LEU  43          3HD1      LEU  43   2.507  -2.917  -3.281
  361   HD21  LEU  43          3HD2      LEU  43   3.906  -4.858  -6.252
  362   HD22  LEU  43          1HD2      LEU  43   4.204  -4.530  -4.542
  363   HD23  LEU  43          2HD2      LEU  43   4.416  -3.253  -5.742
  364    H    THR  44           H        THR  44   2.058  -7.567  -4.082
  365    HA   THR  44           HA       THR  44  -0.433  -9.193  -4.088
  366    HB   THR  44           HB       THR  44   0.765 -10.865  -2.757
  367    HG1  THR  44           HG1      THR  44   3.240 -10.272  -2.658
  368   HG21  THR  44          3HG2      THR  44   2.518 -11.590  -4.344
  369   HG22  THR  44          1HG2      THR  44   2.494  -9.994  -5.101
  370   HG23  THR  44          2HG2      THR  44   1.077 -11.041  -5.200
  371    H    GLU  45           H        GLU  45  -1.243  -9.748  -1.872
  372    HA   GLU  45           HA       GLU  45  -1.674  -7.491  -0.221
  373    HB2  GLU  45           2HB      GLU  45  -2.081 -10.452   0.377
  374    HB3  GLU  45           3HB      GLU  45  -2.661  -9.143   1.407
  375    HG2  GLU  45           2HG      GLU  45  -4.009  -8.298  -0.543
  376    HG3  GLU  45           3HG      GLU  45  -3.535  -9.747  -1.434
  377    H    THR  46           H        THR  46   0.789  -9.989  -0.134
  378    HA   THR  46           HA       THR  46   1.919  -9.490   2.414
  379    HB   THR  46           HB       THR  46   3.357 -10.427  -0.123
  380    HG1  THR  46           HG1      THR  46   2.647 -12.416   0.361
  381   HG21  THR  46          3HG2      THR  46   4.949 -11.516   1.455
  382   HG22  THR  46          1HG2      THR  46   4.090 -10.804   2.816
  383   HG23  THR  46          2HG2      THR  46   4.941  -9.764   1.671
  384    H    GLN  47           H        GLN  47   2.834  -8.287  -0.834
  385    HA   GLN  47           HA       GLN  47   4.935  -6.583  -0.131
  386    HB2  GLN  47           2HB      GLN  47   3.042  -6.493  -2.510
  387    HB3  GLN  47           3HB      GLN  47   4.477  -5.475  -2.379
  388    HG2  GLN  47           2HG      GLN  47   5.922  -7.439  -2.359
  389    HG3  GLN  47           3HG      GLN  47   4.517  -8.509  -2.378
  390   HE21  GLN  47          1HE2      GLN  47   6.367  -6.201  -4.263
  391   HE22  GLN  47          2HE2      GLN  47   5.769  -6.710  -5.797
  392    H    VAL  48           H        VAL  48   1.496  -5.763  -0.617
  393    HA   VAL  48           HA       VAL  48   1.631  -2.987  -0.161
  394    HB   VAL  48           HB       VAL  48  -0.682  -4.937   0.286
  395   HG11  VAL  48          1HG1      VAL  48  -2.196  -2.968   0.215
  396   HG12  VAL  48          2HG1      VAL  48  -0.794  -1.894   0.198
  397   HG13  VAL  48          3HG1      VAL  48  -1.108  -2.909   1.605
  398   HG21  VAL  48          3HG2      VAL  48  -0.072  -3.070  -2.047
  399   HG22  VAL  48          1HG2      VAL  48  -1.498  -4.105  -1.902
  400   HG23  VAL  48          2HG2      VAL  48   0.104  -4.825  -2.050
  401    H    LYS  49           H        LYS  49   0.882  -5.643   2.138
  402    HA   LYS  49           HA       LYS  49   0.521  -4.103   4.465
  403    HB2  LYS  49           2HB      LYS  49  -0.155  -6.469   4.236
  404    HB3  LYS  49           3HB      LYS  49   1.530  -6.968   4.200
  405    HG2  LYS  49           2HG      LYS  49   1.834  -6.284   6.527
  406    HG3  LYS  49           3HG      LYS  49   0.211  -5.588   6.572
  407    HD2  LYS  49           2HD      LYS  49   0.297  -7.787   7.704
  408    HD3  LYS  49           3HD      LYS  49  -0.796  -7.810   6.318
  409    HE2  LYS  49           2HE      LYS  49   0.540  -9.868   6.403
  410    HE3  LYS  49           3HE      LYS  49   0.961  -8.936   4.967
  411    HZ1  LYS  49           3HZ      LYS  49   2.503  -8.973   7.501
  412    HZ2  LYS  49           1HZ      LYS  49   2.929  -8.131   6.099
  413    HZ3  LYS  49           2HZ      LYS  49   2.907  -9.824   6.099
  414    H    ILE  50           H        ILE  50   3.479  -5.534   3.096
  415    HA   ILE  50           HA       ILE  50   5.321  -4.888   5.124
  416    HB   ILE  50           HB       ILE  50   5.742  -5.266   2.124
  417   HG12  ILE  50          2HG1      ILE  50   6.369  -7.137   4.473
  418   HG13  ILE  50          3HG1      ILE  50   4.964  -7.278   3.423
  419   HG21  ILE  50          1HG2      ILE  50   7.888  -5.004   4.278
  420   HG22  ILE  50          2HG2      ILE  50   7.590  -3.877   2.954
  421   HG23  ILE  50          3HG2      ILE  50   8.186  -5.498   2.608
  422   HD11  ILE  50          3HD1      ILE  50   6.675  -8.868   2.814
  423   HD12  ILE  50          1HD1      ILE  50   7.839  -7.567   2.570
  424   HD13  ILE  50          2HD1      ILE  50   6.429  -7.703   1.514
  425    H    TRP  51           H        TRP  51   4.482  -3.048   2.125
  426    HA   TRP  51           HA       TRP  51   6.242  -0.898   2.592
  427    HB2  TRP  51           2HB      TRP  51   5.198  -1.274   0.369
  428    HB3  TRP  51           3HB      TRP  51   3.632  -0.793   1.018
  429    HD1  TRP  51           HD1      TRP  51   7.038   0.730   0.023
  430    HE1  TRP  51           HE1      TRP  51   6.784   3.261  -0.241
  431    HE3  TRP  51           HE3      TRP  51   2.314   1.249   1.826
  432    HZ2  TRP  51           HZ2      TRP  51   4.863   5.224   0.273
  433    HZ3  TRP  51           HZ3      TRP  51   1.340   3.496   1.942
  434    HH2  TRP  51           HH2      TRP  51   2.591   5.451   1.180
  435    H    PHE  52           H        PHE  52   2.701  -1.077   3.291
  436    HA   PHE  52           HA       PHE  52   2.488   1.423   4.543
  437    HB2  PHE  52           2HB      PHE  52   0.807  -1.087   4.703
  438    HB3  PHE  52           3HB      PHE  52   0.429   0.277   5.752
  439    HD1  PHE  52           HD1      PHE  52   0.617  -0.807   2.202
  440    HD2  PHE  52           HD2      PHE  52  -0.551   2.318   4.862
  441    HE1  PHE  52           HE1      PHE  52  -0.551   0.323   0.379
  442    HE2  PHE  52           HE2      PHE  52  -1.733   3.437   3.031
  443    HZ   PHE  52           HZ       PHE  52  -1.731   2.445   0.779
  444    H    GLN  53           H        GLN  53   3.509  -1.680   5.960
  445    HA   GLN  53           HA       GLN  53   3.602  -0.778   8.675
  446    HB2  GLN  53           2HB      GLN  53   3.593  -3.183   8.066
  447    HB3  GLN  53           3HB      GLN  53   5.180  -3.013   7.321
  448    HG2  GLN  53           2HG      GLN  53   6.165  -2.481   9.522
  449    HG3  GLN  53           3HG      GLN  53   4.576  -2.612  10.274
  450   HE21  GLN  53          1HE2      GLN  53   3.652  -4.703  10.531
  451   HE22  GLN  53          2HE2      GLN  53   4.612  -6.130  10.411
  452    H    ASN  54           H        ASN  54   6.294  -1.256   6.332
  453    HA   ASN  54           HA       ASN  54   8.320  -0.117   7.929
  454    HB2  ASN  54           2HB      ASN  54   8.176  -0.747   4.967
  455    HB3  ASN  54           3HB      ASN  54   9.603   0.020   5.652
  456   HD21  ASN  54          1HD2      ASN  54   7.745  -2.913   5.508
  457   HD22  ASN  54          2HD2      ASN  54   8.908  -3.929   6.266
  458    H    ARG  55           H        ARG  55   6.225   1.394   5.509
  459    HA   ARG  55           HA       ARG  55   7.528   3.840   5.220
  460    HB2  ARG  55           2HB      ARG  55   5.502   2.892   3.898
  461    HB3  ARG  55           3HB      ARG  55   4.500   3.614   5.150
  462    HG2  ARG  55           2HG      ARG  55   4.622   5.137   3.280
  463    HG3  ARG  55           3HG      ARG  55   5.517   5.842   4.631
  464    HD2  ARG  55           2HD      ARG  55   7.646   5.124   3.636
  465    HD3  ARG  55           3HD      ARG  55   6.782   4.308   2.317
  466    HE   ARG  55           HE       ARG  55   5.909   6.834   2.091
  467   HH11  ARG  55          1HH1      ARG  55   9.137   5.605   2.350
  468   HH12  ARG  55          2HH1      ARG  55   9.806   6.892   1.412
  469   HH21  ARG  55          1HH2      ARG  55   6.796   8.465   0.923
  470   HH22  ARG  55          2HH2      ARG  55   8.496   8.484   0.611
  471    H    ARG  56           H        ARG  56   5.074   2.888   7.619
  472    HA   ARG  56           HA       ARG  56   4.900   5.323   9.070
  473    HB2  ARG  56           2HB      ARG  56   4.560   2.445  10.012
  474    HB3  ARG  56           3HB      ARG  56   4.056   3.869  10.928
  475    HG2  ARG  56           2HG      ARG  56   2.410   4.443   9.220
  476    HG3  ARG  56           3HG      ARG  56   2.978   3.129   8.184
  477    HD2  ARG  56           2HD      ARG  56   0.892   2.530   9.363
  478    HD3  ARG  56           3HD      ARG  56   2.233   1.469   9.818
  479    HE   ARG  56           HE       ARG  56   1.780   3.755  11.552
  480   HH11  ARG  56          1HH1      ARG  56   1.135   0.382  11.088
  481   HH12  ARG  56          2HH1      ARG  56   0.774   0.138  12.761
  482   HH21  ARG  56          1HH2      ARG  56   1.313   3.395  13.650
  483   HH22  ARG  56          2HH2      ARG  56   0.844   1.817  14.173
  484    H    TYR  57           H        TYR  57   7.201   2.681   9.149
  485    HA   TYR  57           HA       TYR  57   8.736   3.600  11.403
  486    HB2  TYR  57           2HB      TYR  57   8.661   1.226  10.800
  487    HB3  TYR  57           3HB      TYR  57   9.324   1.573   9.211
  488    HD1  TYR  57           HD1      TYR  57  10.161   1.597  12.863
  489    HD2  TYR  57           HD2      TYR  57  11.700   1.613   8.867
  490    HE1  TYR  57           HE1      TYR  57  12.425   1.184  13.728
  491    HE2  TYR  57           HE2      TYR  57  13.951   1.205   9.737
  492    HH   TYR  57           HH       TYR  57  14.540   0.223  12.914
  493    H    LYS  58           H        LYS  58   8.786   4.216   7.935
  494    HA   LYS  58           HA       LYS  58  11.364   5.533   7.864
  495    HB2  LYS  58           2HB      LYS  58   9.103   5.436   5.828
  496    HB3  LYS  58           3HB      LYS  58  10.663   6.198   5.527
  497    HG2  LYS  58           2HG      LYS  58  10.196   3.254   6.096
  498    HG3  LYS  58           3HG      LYS  58  10.532   3.969   4.517
  499    HD2  LYS  58           2HD      LYS  58  12.759   4.724   5.356
  500    HD3  LYS  58           3HD      LYS  58  12.422   3.956   6.911
  501    HE2  LYS  58           2HE      LYS  58  12.338   1.759   5.840
  502    HE3  LYS  58           3HE      LYS  58  12.564   2.494   4.250
  503    HZ1  LYS  58           3HZ      LYS  58  14.734   3.298   5.020
  504    HZ2  LYS  58           1HZ      LYS  58  14.625   1.610   5.049
  505    HZ3  LYS  58           2HZ      LYS  58  14.508   2.488   6.481
  506    H    THR  59           H        THR  59   8.074   6.497   8.486
  507    HA   THR  59           HA       THR  59   8.586   9.382   8.289
  508    HB   THR  59           HB       THR  59   6.236   9.634   9.116
  509    HG1  THR  59           HG1      THR  59   6.588   7.018   9.800
  510   HG21  THR  59          3HG2      THR  59   5.040   8.639   7.189
  511   HG22  THR  59          1HG2      THR  59   6.453   7.643   6.827
  512   HG23  THR  59          2HG2      THR  59   6.548   9.397   6.681
  513    H    LYS  60           H        LYS  60   7.724  10.642  10.392
  514    HA   LYS  60           HA       LYS  60   9.546   9.917  12.543
  515    HB2  LYS  60           2HB      LYS  60   9.213  12.264  11.625
  516    HB3  LYS  60           3HB      LYS  60   7.627  12.280  12.390
  517    HG2  LYS  60           2HG      LYS  60   8.699  12.034  14.610
  518    HG3  LYS  60           3HG      LYS  60  10.289  12.016  13.840
  519    HD2  LYS  60           2HD      LYS  60   9.941  14.321  13.036
  520    HD3  LYS  60           3HD      LYS  60   8.318  14.337  13.734
  521    HE2  LYS  60           2HE      LYS  60   9.260  14.130  15.989
  522    HE3  LYS  60           3HE      LYS  60  10.890  14.022  15.323
  523    HZ1  LYS  60           3HZ      LYS  60   9.076  16.365  15.138
  524    HZ2  LYS  60           1HZ      LYS  60  10.613  16.265  14.440
  525    HZ3  LYS  60           2HZ      LYS  60  10.442  16.231  16.123
  526    H    ARG  61           H        ARG  61   7.153   8.170  12.163
  527    HA   ARG  61           HA       ARG  61   5.517   8.606  14.569
  528    HB2  ARG  61           2HB      ARG  61   5.134   6.607  12.302
  529    HB3  ARG  61           3HB      ARG  61   3.984   6.947  13.597
  530    HG2  ARG  61           2HG      ARG  61   4.870   8.893  11.435
  531    HG3  ARG  61           3HG      ARG  61   3.325   8.044  11.496
  532    HD2  ARG  61           2HD      ARG  61   2.695   9.263  13.519
  533    HD3  ARG  61           3HD      ARG  61   4.281  10.044  13.579
  534    HE   ARG  61           HE       ARG  61   3.124  10.609  11.098
  535   HH11  ARG  61          1HH1      ARG  61   2.677  11.443  14.425
  536   HH12  ARG  61          2HH1      ARG  61   1.902  12.939  14.045
  537   HH21  ARG  61          1HH2      ARG  61   2.132  12.540  10.655
  538   HH22  ARG  61          2HH2      ARG  61   1.586  13.540  11.954
  539    H    LYS  62           H        LYS  62   7.385   6.011  12.969
  540    HA   LYS  62           HA       LYS  62   8.064   4.889  15.635
  541    HB2  LYS  62           2HB      LYS  62   6.417   3.443  14.354
  542    HB3  LYS  62           3HB      LYS  62   7.622   3.266  13.087
  543    HG2  LYS  62           2HG      LYS  62   7.637   1.285  14.485
  544    HG3  LYS  62           3HG      LYS  62   9.150   2.168  14.719
  545    HD2  LYS  62           2HD      LYS  62   8.277   3.125  16.833
  546    HD3  LYS  62           3HD      LYS  62   6.747   2.278  16.590
  547    HE2  LYS  62           2HE      LYS  62   9.457   0.990  17.038
  548    HE3  LYS  62           3HE      LYS  62   8.141   1.084  18.209
  549    HZ1  LYS  62           3HZ      LYS  62   8.217  -1.072  17.179
  550    HZ2  LYS  62           1HZ      LYS  62   8.092  -0.395  15.635
  551    HZ3  LYS  62           2HZ      LYS  62   6.796  -0.283  16.713
  552    H    GLN  63           H        GLN  63  10.125   5.665  15.850
  553    HA   GLN  63           HA       GLN  63  12.008   5.518  13.555
  554    HB2  GLN  63           2HB      GLN  63  12.173   7.321  16.012
  555    HB3  GLN  63           3HB      GLN  63  13.241   7.366  14.606
  556    HG2  GLN  63           2HG      GLN  63  11.255   8.017  13.205
  557    HG3  GLN  63           3HG      GLN  63  10.288   8.094  14.677
  558   HE21  GLN  63          1HE2      GLN  63  10.755   9.762  16.186
  559   HE22  GLN  63          2HE2      GLN  63  11.613  11.184  15.718
  560    H    LEU  64           H        LEU  64  14.339   5.321  14.268
  561    HA   LEU  64           HA       LEU  64  14.715   3.522  16.591
  562    HB2  LEU  64           2HB      LEU  64  14.691   2.259  14.412
  563    HB3  LEU  64           3HB      LEU  64  16.067   3.210  13.879
  564    HG   LEU  64           HG       LEU  64  17.417   2.255  15.789
  565   HD11  LEU  64          1HD1      LEU  64  14.994   0.481  16.240
  566   HD12  LEU  64          2HD1      LEU  64  15.619   1.715  17.339
  567   HD13  LEU  64          3HD1      LEU  64  16.577   0.279  16.999
  568   HD21  LEU  64          3HD2      LEU  64  17.757   0.029  14.792
  569   HD22  LEU  64          1HD2      LEU  64  17.599   1.272  13.551
  570   HD23  LEU  64          2HD2      LEU  64  16.248   0.188  13.890
  571    H    SER  65           H        SER  65  15.235   5.624  17.574
  572    HA   SER  65           HA       SER  65  17.698   6.985  16.787
  573    HB2  SER  65           2HB      SER  65  15.800   8.342  17.577
  574    HB3  SER  65           3HB      SER  65  15.822   7.510  19.131
  575    HG   SER  65           HG       SER  65  17.620   8.559  19.693
  576    H    SER  66           H        SER  66  19.095   5.130  17.087
  577    HA   SER  66           HA       SER  66  19.811   4.434  19.880
  578    HB2  SER  66           2HB      SER  66  20.585   3.159  17.218
  579    HB3  SER  66           3HB      SER  66  21.219   2.640  18.782
  580    HG   SER  66           HG       SER  66  19.296   1.834  19.319
  581    H    GLU  67           H        GLU  67  21.672   5.171  20.799
  582    HA   GLU  67           HA       GLU  67  23.439   6.944  19.320
  583    HB2  GLU  67           2HB      GLU  67  22.793   7.397  21.693
  584    HB3  GLU  67           3HB      GLU  67  23.677   5.961  22.196
  585    HG2  GLU  67           2HG      GLU  67  25.789   6.960  21.435
  586    HG3  GLU  67           3HG      GLU  67  24.927   8.373  20.830
  587    H    LEU  68           H        LEU  68  24.508   5.750  17.796
  588    HA   LEU  68           HA       LEU  68  26.804   4.227  18.501
  589    HB2  LEU  68           2HB      LEU  68  24.971   2.515  18.882
  590    HB3  LEU  68           3HB      LEU  68  24.561   2.636  17.180
  591    HG   LEU  68           HG       LEU  68  26.850   1.779  16.597
  592   HD11  LEU  68          1HD1      LEU  68  28.269   0.767  18.339
  593   HD12  LEU  68          2HD1      LEU  68  27.196   1.390  19.595
  594   HD13  LEU  68          3HD1      LEU  68  28.100   2.507  18.568
  595   HD21  LEU  68          3HD2      LEU  68  26.450  -0.560  17.245
  596   HD22  LEU  68          1HD2      LEU  68  24.964   0.225  16.709
  597   HD23  LEU  68          2HD2      LEU  68  25.251  -0.040  18.431
  598    H    GLY  69           H        GLY  69  28.265   4.336  16.821
  599    HA2  GLY  69           2HA      GLY  69  29.161   4.628  14.720
  600    HA3  GLY  69           3HA      GLY  69  27.572   4.314  14.041
  Start of MODEL   19
    1    H1   MET   1           1H       MET   1  20.213  16.804  -8.634
    2    H2   MET   1           2H       MET   1  19.180  18.142  -8.704
    3    H3   MET   1           3H       MET   1  20.496  18.035  -9.758
    4    HA   MET   1           HA       MET   1  18.428  17.535 -10.884
    5    HB2  MET   1           2HB      MET   1  20.162  15.042 -10.562
    6    HB3  MET   1           3HB      MET   1  19.108  15.406 -11.929
    7    HG2  MET   1           2HG      MET   1  21.625  16.884 -11.131
    8    HG3  MET   1           3HG      MET   1  21.403  15.849 -12.543
    9    HE1  MET   1           3HE      MET   1  21.777  19.459 -14.102
   10    HE2  MET   1           1HE      MET   1  22.367  17.798 -14.161
   11    HE3  MET   1           2HE      MET   1  22.638  18.781 -12.721
   12    H    GLY   2           H        GLY   2  16.347  16.993 -10.482
   13    HA2  GLY   2           2HA      GLY   2  15.610  15.465  -8.119
   14    HA3  GLY   2           3HA      GLY   2  14.532  16.304  -9.219
   15    H    HIS   3           H        HIS   3  16.784  13.533  -9.342
   16    HA   HIS   3           HA       HIS   3  14.794  11.564  -9.827
   17    HB2  HIS   3           2HB      HIS   3  15.483  10.865 -12.132
   18    HB3  HIS   3           3HB      HIS   3  14.731  12.453 -12.112
   19    HD1  HIS   3           HD1      HIS   3  18.033  10.763 -12.653
   20    HD2  HIS   3           HD2      HIS   3  16.381  14.558 -12.939
   21    HE1  HIS   3           HE1      HIS   3  19.733  12.140 -13.861
   22    HE2  HIS   3           HE2      HIS   3  18.644  14.383 -14.173
   23    H    HIS   4           H        HIS   4  15.935   9.399 -10.492
   24    HA   HIS   4           HA       HIS   4  18.676   9.085  -9.561
   25    HB2  HIS   4           2HB      HIS   4  18.047   7.547  -7.686
   26    HB3  HIS   4           3HB      HIS   4  17.504   9.197  -7.412
   27    HD1  HIS   4           HD1      HIS   4  16.200   5.744  -8.099
   28    HD2  HIS   4           HD2      HIS   4  14.707   9.526  -7.286
   29    HE1  HIS   4           HE1      HIS   4  13.762   5.413  -7.647
   30    HE2  HIS   4           HE2      HIS   4  12.922   7.685  -7.005
   31    H    HIS   5           H        HIS   5  19.128   6.584  -9.305
   32    HA   HIS   5           HA       HIS   5  18.488   5.268 -11.787
   33    HB2  HIS   5           2HB      HIS   5  20.710   5.041 -10.697
   34    HB3  HIS   5           3HB      HIS   5  19.960   4.240  -9.320
   35    HD1  HIS   5           HD1      HIS   5  19.709   1.737  -9.480
   36    HD2  HIS   5           HD2      HIS   5  20.592   3.469 -13.152
   37    HE1  HIS   5           HE1      HIS   5  20.060  -0.172 -11.062
   38    HE2  HIS   5           HE2      HIS   5  20.725   0.896 -13.230
   39    H    HIS   6           H        HIS   6  17.097   3.529 -12.144
   40    HA   HIS   6           HA       HIS   6  14.916   3.139 -10.324
   41    HB2  HIS   6           2HB      HIS   6  14.694   3.108 -12.838
   42    HB3  HIS   6           3HB      HIS   6  15.533   1.560 -12.860
   43    HD1  HIS   6           HD1      HIS   6  14.213  -0.500 -11.802
   44    HD2  HIS   6           HD2      HIS   6  12.000   2.986 -12.187
   45    HE1  HIS   6           HE1      HIS   6  11.826  -1.175 -11.461
   46    HE2  HIS   6           HE2      HIS   6  10.503   0.919 -11.886
   47    H    HIS   7           H        HIS   7  15.266   2.037  -8.490
   48    HA   HIS   7           HA       HIS   7  17.089  -0.174  -8.236
   49    HB2  HIS   7           2HB      HIS   7  15.037   0.971  -6.293
   50    HB3  HIS   7           3HB      HIS   7  16.161  -0.323  -5.890
   51    HD1  HIS   7           HD1      HIS   7  16.501   1.940  -4.104
   52    HD2  HIS   7           HD2      HIS   7  18.354   1.937  -7.824
   53    HE1  HIS   7           HE1      HIS   7  18.456   3.486  -3.890
   54    HE2  HIS   7           HE2      HIS   7  19.512   3.530  -6.162
   55    H    HIS   8           H        HIS   8  16.406  -1.659  -9.732
   56    HA   HIS   8           HA       HIS   8  13.821  -2.871  -9.853
   57    HB2  HIS   8           2HB      HIS   8  15.070  -4.627 -11.270
   58    HB3  HIS   8           3HB      HIS   8  15.107  -2.971 -11.858
   59    HD1  HIS   8           HD1      HIS   8  17.401  -1.726 -11.794
   60    HD2  HIS   8           HD2      HIS   8  17.612  -5.680 -10.526
   61    HE1  HIS   8           HE1      HIS   8  19.843  -2.277 -11.700
   62    HE2  HIS   8           HE2      HIS   8  19.946  -4.622 -10.806
   63    H    SER   9           H        SER   9  13.397  -3.361  -7.671
   64    HA   SER   9           HA       SER   9  14.009  -5.918  -6.627
   65    HB2  SER   9           2HB      SER   9  16.252  -4.901  -6.155
   66    HB3  SER   9           3HB      SER   9  15.476  -3.618  -5.233
   67    HG   SER   9           HG       SER   9  16.014  -6.237  -4.546
   68    H    HIS  10           H        HIS  10  13.283  -2.560  -5.777
   69    HA   HIS  10           HA       HIS  10  11.035  -3.369  -4.024
   70    HB2  HIS  10           2HB      HIS  10  12.459  -0.683  -4.323
   71    HB3  HIS  10           3HB      HIS  10  11.124  -1.000  -3.215
   72    HD1  HIS  10           HD1      HIS  10  14.686  -0.828  -3.230
   73    HD2  HIS  10           HD2      HIS  10  11.897  -3.269  -1.345
   74    HE1  HIS  10           HE1      HIS  10  15.901  -1.893  -1.315
   75    HE2  HIS  10           HE2      HIS  10  14.224  -3.415  -0.243
   76    H    MET  11           H        MET  11   9.359  -1.268  -4.161
   77    HA   MET  11           HA       MET  11   7.914  -1.541  -6.567
   78    HB2  MET  11           2HB      MET  11   7.669   0.594  -4.403
   79    HB3  MET  11           3HB      MET  11   6.472   0.294  -5.658
   80    HG2  MET  11           2HG      MET  11   5.728  -0.699  -3.588
   81    HG3  MET  11           3HG      MET  11   6.124  -1.987  -4.727
   82    HE1  MET  11           3HE      MET  11   6.149  -3.766  -2.694
   83    HE2  MET  11           1HE      MET  11   5.751  -2.473  -1.563
   84    HE3  MET  11           2HE      MET  11   7.112  -3.545  -1.234
   85    H    SER  12           H        SER  12   7.310   0.198  -8.090
   86    HA   SER  12           HA       SER  12   9.677   1.728  -8.999
   87    HB2  SER  12           2HB      SER  12   8.573   0.220 -10.644
   88    HB3  SER  12           3HB      SER  12   7.067   1.120 -10.458
   89    HG   SER  12           HG       SER  12   7.855   2.719 -11.630
   90    H    HIS  13           H        HIS  13   9.198   4.015  -9.926
   91    HA   HIS  13           HA       HIS  13   8.610   5.642  -7.779
   92    HB2  HIS  13           2HB      HIS  13   9.943   6.437  -9.681
   93    HB3  HIS  13           3HB      HIS  13   8.520   6.424 -10.718
   94    HD1  HIS  13           HD1      HIS  13   9.782   8.198  -7.594
   95    HD2  HIS  13           HD2      HIS  13   7.120   8.822 -10.724
   96    HE1  HIS  13           HE1      HIS  13   8.948  10.540  -7.322
   97    HE2  HIS  13           HE2      HIS  13   7.317  10.880  -9.188
   98    H    THR  14           H        THR  14   6.399   5.269 -10.623
   99    HA   THR  14           HA       THR  14   4.348   6.949  -9.629
  100    HB   THR  14           HB       THR  14   4.055   4.669 -11.638
  101    HG1  THR  14           HG1      THR  14   4.860   5.994 -13.102
  102   HG21  THR  14          3HG2      THR  14   2.143   5.952 -12.532
  103   HG22  THR  14          1HG2      THR  14   2.354   7.170 -11.275
  104   HG23  THR  14          2HG2      THR  14   1.863   5.533 -10.841
  105    H    GLN  15           H        GLN  15   4.864   3.457  -9.428
  106    HA   GLN  15           HA       GLN  15   2.443   2.613  -8.263
  107    HB2  GLN  15           2HB      GLN  15   4.031   1.071  -9.304
  108    HB3  GLN  15           3HB      GLN  15   5.258   1.463  -8.106
  109    HG2  GLN  15           2HG      GLN  15   3.981   0.361  -6.361
  110    HG3  GLN  15           3HG      GLN  15   2.632   0.092  -7.466
  111   HE21  GLN  15          1HE2      GLN  15   2.827  -1.509  -9.067
  112   HE22  GLN  15          2HE2      GLN  15   4.049  -2.725  -8.990
  113    H    VAL  16           H        VAL  16   5.536   3.524  -6.712
  114    HA   VAL  16           HA       VAL  16   4.862   3.281  -4.008
  115    HB   VAL  16           HB       VAL  16   6.766   5.304  -5.291
  116   HG11  VAL  16          1HG1      VAL  16   6.651   4.453  -2.370
  117   HG12  VAL  16          2HG1      VAL  16   6.208   6.034  -3.012
  118   HG13  VAL  16          3HG1      VAL  16   7.884   5.495  -3.093
  119   HG21  VAL  16          3HG2      VAL  16   8.571   3.723  -4.745
  120   HG22  VAL  16          1HG2      VAL  16   7.372   2.972  -5.797
  121   HG23  VAL  16          2HG2      VAL  16   7.395   2.588  -4.077
  122    H    ILE  17           H        ILE  17   4.367   6.023  -6.260
  123    HA   ILE  17           HA       ILE  17   3.335   7.917  -4.419
  124    HB   ILE  17           HB       ILE  17   2.730   7.680  -7.403
  125   HG12  ILE  17          2HG1      ILE  17   4.821   9.402  -5.987
  126   HG13  ILE  17          3HG1      ILE  17   5.158   7.938  -6.897
  127   HG21  ILE  17          1HG2      ILE  17   2.297  10.071  -5.566
  128   HG22  ILE  17          2HG2      ILE  17   1.038   9.093  -6.319
  129   HG23  ILE  17          3HG2      ILE  17   2.096  10.085  -7.321
  130   HD11  ILE  17          3HD1      ILE  17   4.376   9.019  -8.936
  131   HD12  ILE  17          1HD1      ILE  17   5.685   9.918  -8.171
  132   HD13  ILE  17          2HD1      ILE  17   4.026  10.492  -8.024
  133    H    GLU  18           H        GLU  18   1.690   5.418  -6.399
  134    HA   GLU  18           HA       GLU  18  -0.991   6.112  -5.798
  135    HB2  GLU  18           2HB      GLU  18  -0.036   3.273  -6.354
  136    HB3  GLU  18           3HB      GLU  18  -1.632   3.945  -6.663
  137    HG2  GLU  18           2HG      GLU  18   0.938   4.527  -8.143
  138    HG3  GLU  18           3HG      GLU  18  -0.478   3.685  -8.755
  139    H    LEU  19           H        LEU  19   1.253   3.857  -4.259
  140    HA   LEU  19           HA       LEU  19  -0.352   2.996  -2.096
  141    HB2  LEU  19           2HB      LEU  19   2.669   3.234  -2.368
  142    HB3  LEU  19           3HB      LEU  19   1.867   2.374  -1.064
  143    HG   LEU  19           HG       LEU  19   1.560   1.606  -3.992
  144   HD11  LEU  19          1HD1      LEU  19   3.179  -0.187  -3.631
  145   HD12  LEU  19          2HD1      LEU  19   3.491   0.397  -1.996
  146   HD13  LEU  19          3HD1      LEU  19   3.920   1.394  -3.387
  147   HD21  LEU  19          3HD2      LEU  19   0.741  -0.535  -3.122
  148   HD22  LEU  19          1HD2      LEU  19  -0.250   0.806  -2.551
  149   HD23  LEU  19          2HD2      LEU  19   0.918   0.049  -1.465
  150    H    GLU  20           H        GLU  20   1.771   5.862  -2.518
  151    HA   GLU  20           HA       GLU  20   1.720   6.809   0.162
  152    HB2  GLU  20           2HB      GLU  20   2.395   8.131  -2.477
  153    HB3  GLU  20           3HB      GLU  20   2.347   9.079  -0.998
  154    HG2  GLU  20           2HG      GLU  20   4.086   7.619  -0.018
  155    HG3  GLU  20           3HG      GLU  20   4.146   6.698  -1.521
  156    H    ARG  21           H        ARG  21  -0.408   7.465  -2.616
  157    HA   ARG  21           HA       ARG  21  -2.028   9.496  -1.594
  158    HB2  ARG  21           2HB      ARG  21  -3.019   7.121  -3.235
  159    HB3  ARG  21           3HB      ARG  21  -3.811   8.688  -3.093
  160    HG2  ARG  21           2HG      ARG  21  -2.019   9.758  -4.344
  161    HG3  ARG  21           3HG      ARG  21  -1.097   8.255  -4.367
  162    HD2  ARG  21           2HD      ARG  21  -3.020   7.198  -5.631
  163    HD3  ARG  21           3HD      ARG  21  -3.732   8.808  -5.772
  164    HE   ARG  21           HE       ARG  21  -1.238   7.858  -7.028
  165   HH11  ARG  21          1HH1      ARG  21  -3.642  10.350  -6.824
  166   HH12  ARG  21          2HH1      ARG  21  -3.151  11.065  -8.317
  167   HH21  ARG  21          1HH2      ARG  21  -0.682   8.757  -8.925
  168   HH22  ARG  21          2HH2      ARG  21  -1.502  10.170  -9.504
  169    H    LYS  22           H        LYS  22  -2.456   5.991  -1.361
  170    HA   LYS  22           HA       LYS  22  -4.706   5.921   0.341
  171    HB2  LYS  22           2HB      LYS  22  -3.857   4.072  -1.172
  172    HB3  LYS  22           3HB      LYS  22  -2.556   3.790  -0.025
  173    HG2  LYS  22           2HG      LYS  22  -4.225   2.132   0.371
  174    HG3  LYS  22           3HG      LYS  22  -4.295   3.270   1.718
  175    HD2  LYS  22           2HD      LYS  22  -6.267   4.359   0.722
  176    HD3  LYS  22           3HD      LYS  22  -6.174   3.286  -0.679
  177    HE2  LYS  22           2HE      LYS  22  -6.609   1.344   0.786
  178    HE3  LYS  22           3HE      LYS  22  -6.689   2.415   2.182
  179    HZ1  LYS  22           3HZ      LYS  22  -8.532   2.384  -0.137
  180    HZ2  LYS  22           1HZ      LYS  22  -8.576   3.537   1.098
  181    HZ3  LYS  22           2HZ      LYS  22  -8.891   1.916   1.451
  182    H    PHE  23           H        PHE  23  -1.235   5.820   0.985
  183    HA   PHE  23           HA       PHE  23  -1.276   5.250   3.757
  184    HB2  PHE  23           2HB      PHE  23   0.698   4.919   2.287
  185    HB3  PHE  23           3HB      PHE  23   0.839   6.660   2.074
  186    HD1  PHE  23           HD2      PHE  23   0.915   3.990   4.690
  187    HD2  PHE  23           HD1      PHE  23   2.193   7.918   3.574
  188    HE1  PHE  23           HE2      PHE  23   2.348   4.095   6.674
  189    HE2  PHE  23           HE1      PHE  23   3.624   8.015   5.567
  190    HZ   PHE  23           HZ       PHE  23   3.700   6.102   7.116
  191    H    SER  24           H        SER  24  -1.198   8.311   1.958
  192    HA   SER  24           HA       SER  24  -0.958  10.139   4.068
  193    HB2  SER  24           2HB      SER  24  -0.596  10.790   1.731
  194    HB3  SER  24           3HB      SER  24  -2.290  10.485   1.347
  195    HG   SER  24           HG       SER  24  -1.279  12.443   3.144
  196    H    HIS  25           H        HIS  25  -3.812   8.515   2.726
  197    HA   HIS  25           HA       HIS  25  -5.716  10.037   4.288
  198    HB2  HIS  25           2HB      HIS  25  -6.066   7.417   2.765
  199    HB3  HIS  25           3HB      HIS  25  -7.369   8.399   3.429
  200    HD1  HIS  25           HD1      HIS  25  -6.309  11.189   2.418
  201    HD2  HIS  25           HD2      HIS  25  -6.647   7.767   0.083
  202    HE1  HIS  25           HE1      HIS  25  -6.454  11.997   0.053
  203    HE2  HIS  25           HE2      HIS  25  -6.614   9.916  -1.343
  204    H    GLN  26           H        GLN  26  -4.243   6.807   4.470
  205    HA   GLN  26           HA       GLN  26  -4.916   6.507   7.293
  206    HB2  GLN  26           2HB      GLN  26  -6.034   4.314   6.947
  207    HB3  GLN  26           3HB      GLN  26  -6.923   5.643   6.208
  208    HG2  GLN  26           2HG      GLN  26  -5.929   5.015   3.998
  209    HG3  GLN  26           3HG      GLN  26  -5.179   3.618   4.782
  210   HE21  GLN  26          1HE2      GLN  26  -6.508   1.900   5.434
  211   HE22  GLN  26          2HE2      GLN  26  -8.125   1.721   4.866
  212    H    LYS  27           H        LYS  27  -3.471   5.333   8.372
  213    HA   LYS  27           HA       LYS  27  -1.017   4.429   7.125
  214    HB2  LYS  27           2HB      LYS  27  -1.958   4.353  10.028
  215    HB3  LYS  27           3HB      LYS  27  -0.316   4.002   9.493
  216    HG2  LYS  27           2HG      LYS  27  -1.716   6.673   9.150
  217    HG3  LYS  27           3HG      LYS  27  -0.578   6.289  10.444
  218    HD2  LYS  27           2HD      LYS  27   1.251   6.087   8.903
  219    HD3  LYS  27           3HD      LYS  27   0.172   6.083   7.507
  220    HE2  LYS  27           2HE      LYS  27   0.620   8.448   9.356
  221    HE3  LYS  27           3HE      LYS  27   1.357   8.236   7.766
  222    HZ1  LYS  27           3HZ      LYS  27  -0.546   9.652   7.588
  223    HZ2  LYS  27           1HZ      LYS  27  -1.543   8.516   8.340
  224    HZ3  LYS  27           2HZ      LYS  27  -0.893   8.190   6.812
  225    H    TYR  28           H        TYR  28  -3.700   2.973   8.929
  226    HA   TYR  28           HA       TYR  28  -2.760   0.224   8.495
  227    HB2  TYR  28           2HB      TYR  28  -5.170   1.274  10.055
  228    HB3  TYR  28           3HB      TYR  28  -4.635  -0.403  10.014
  229    HD1  TYR  28           HD1      TYR  28  -3.766   2.999  11.245
  230    HD2  TYR  28           HD2      TYR  28  -2.813  -1.158  11.440
  231    HE1  TYR  28           HE1      TYR  28  -2.358   3.418  13.204
  232    HE2  TYR  28           HE2      TYR  28  -1.397  -0.738  13.401
  233    HH   TYR  28           HH       TYR  28  -1.468   2.188  15.128
  234    H    LEU  29           H        LEU  29  -3.624  -1.093   6.937
  235    HA   LEU  29           HA       LEU  29  -6.055  -0.230   5.463
  236    HB2  LEU  29           2HB      LEU  29  -3.960  -2.284   4.651
  237    HB3  LEU  29           3HB      LEU  29  -5.325  -1.764   3.673
  238    HG   LEU  29           HG       LEU  29  -2.881  -0.134   4.432
  239   HD11  LEU  29          1HD1      LEU  29  -2.524  -1.741   2.626
  240   HD12  LEU  29          2HD1      LEU  29  -2.441  -0.084   2.037
  241   HD13  LEU  29          3HD1      LEU  29  -3.882  -1.056   1.725
  242   HD21  LEU  29          3HD2      LEU  29  -4.814   1.347   4.534
  243   HD22  LEU  29          1HD2      LEU  29  -5.352   0.808   2.937
  244   HD23  LEU  29          2HD2      LEU  29  -3.843   1.711   3.112
  245    H    SER  30           H        SER  30  -7.838  -1.542   5.313
  246    HA   SER  30           HA       SER  30  -8.070  -3.980   6.883
  247    HB2  SER  30           2HB      SER  30 -10.013  -2.769   4.858
  248    HB3  SER  30           3HB      SER  30 -10.389  -4.055   6.011
  249    HG   SER  30           HG       SER  30  -9.784  -1.332   6.528
  250    H    ALA  31           H        ALA  31  -8.706  -6.065   5.861
  251    HA   ALA  31           HA       ALA  31  -6.872  -6.976   3.971
  252    HB1  ALA  31           3HB      ALA  31  -8.103  -9.101   3.959
  253    HB2  ALA  31           1HB      ALA  31  -9.498  -8.322   4.712
  254    HB3  ALA  31           2HB      ALA  31  -7.980  -8.463   5.599
  255    HA   PRO  32           HA       PRO  32 -10.330  -6.741   0.420
  256    HB2  PRO  32           2HB      PRO  32 -12.204  -4.698   0.768
  257    HB3  PRO  32           3HB      PRO  32 -12.505  -6.408   1.142
  258    HG2  PRO  32           2HG      PRO  32 -11.693  -4.193   3.000
  259    HG3  PRO  32           3HG      PRO  32 -12.931  -5.452   3.223
  260    HD2  PRO  32           2HD      PRO  32 -10.534  -5.691   4.387
  261    HD3  PRO  32           3HD      PRO  32 -11.340  -7.119   3.693
  262    H    GLU  33           H        GLU  33  -9.691  -3.603   2.149
  263    HA   GLU  33           HA       GLU  33  -9.334  -1.955  -0.087
  264    HB2  GLU  33           2HB      GLU  33  -7.969  -1.731   2.623
  265    HB3  GLU  33           3HB      GLU  33  -8.072  -0.442   1.425
  266    HG2  GLU  33           2HG      GLU  33 -10.551  -0.462   1.663
  267    HG3  GLU  33           3HG      GLU  33 -10.394  -1.688   2.927
  268    H    ARG  34           H        ARG  34  -6.954  -3.828   1.750
  269    HA   ARG  34           HA       ARG  34  -4.637  -2.969   0.352
  270    HB2  ARG  34           2HB      ARG  34  -4.544  -3.846   2.633
  271    HB3  ARG  34           3HB      ARG  34  -5.138  -5.413   2.089
  272    HG2  ARG  34           2HG      ARG  34  -3.094  -5.861   0.893
  273    HG3  ARG  34           3HG      ARG  34  -2.524  -4.210   1.140
  274    HD2  ARG  34           2HD      ARG  34  -2.969  -6.260   3.326
  275    HD3  ARG  34           3HD      ARG  34  -1.404  -5.809   2.639
  276    HE   ARG  34           HE       ARG  34  -2.330  -3.431   3.464
  277   HH11  ARG  34          1HH1      ARG  34  -2.135  -6.462   5.126
  278   HH12  ARG  34          2HH1      ARG  34  -1.935  -5.712   6.671
  279   HH21  ARG  34          1HH2      ARG  34  -2.068  -2.517   5.468
  280   HH22  ARG  34          2HH2      ARG  34  -1.888  -3.535   6.851
  281    H    ALA  35           H        ALA  35  -6.789  -5.785  -0.027
  282    HA   ALA  35           HA       ALA  35  -5.359  -7.182  -2.025
  283    HB1  ALA  35           3HB      ALA  35  -7.481  -8.366  -2.446
  284    HB2  ALA  35           1HB      ALA  35  -8.356  -7.149  -1.505
  285    HB3  ALA  35           2HB      ALA  35  -7.180  -8.200  -0.717
  286    H    HIS  36           H        HIS  36  -7.979  -4.748  -2.306
  287    HA   HIS  36           HA       HIS  36  -8.083  -4.664  -5.140
  288    HB2  HIS  36           2HB      HIS  36  -9.039  -2.738  -2.998
  289    HB3  HIS  36           3HB      HIS  36  -9.165  -2.318  -4.705
  290    HD1  HIS  36           HD1      HIS  36 -10.998  -3.442  -6.070
  291    HD2  HIS  36           HD2      HIS  36 -10.742  -4.929  -2.206
  292    HE1  HIS  36           HE1      HIS  36 -13.031  -4.867  -5.758
  293    HE2  HIS  36           HE2      HIS  36 -12.766  -5.876  -3.475
  294    H    LEU  37           H        LEU  37  -6.251  -2.705  -2.796
  295    HA   LEU  37           HA       LEU  37  -5.062  -0.884  -4.619
  296    HB2  LEU  37           2HB      LEU  37  -5.204  -0.611  -2.123
  297    HB3  LEU  37           3HB      LEU  37  -3.992  -1.868  -1.943
  298    HG   LEU  37           HG       LEU  37  -2.349  -0.407  -3.162
  299   HD11  LEU  37          1HD1      LEU  37  -3.903   0.964  -4.466
  300   HD12  LEU  37          2HD1      LEU  37  -2.818   1.970  -3.512
  301   HD13  LEU  37          3HD1      LEU  37  -4.490   1.738  -2.990
  302   HD21  LEU  37          3HD2      LEU  37  -2.347  -0.468  -0.727
  303   HD22  LEU  37          1HD2      LEU  37  -3.558   0.813  -0.660
  304   HD23  LEU  37          2HD2      LEU  37  -1.946   1.147  -1.296
  305    H    ALA  38           H        ALA  38  -4.106  -4.078  -3.475
  306    HA   ALA  38           HA       ALA  38  -1.477  -4.226  -4.540
  307    HB1  ALA  38           3HB      ALA  38  -3.393  -6.487  -3.849
  308    HB2  ALA  38           1HB      ALA  38  -2.259  -5.715  -2.740
  309    HB3  ALA  38           2HB      ALA  38  -1.653  -6.651  -4.107
  310    H    LYS  39           H        LYS  39  -4.601  -5.542  -5.760
  311    HA   LYS  39           HA       LYS  39  -3.520  -6.660  -8.143
  312    HB2  LYS  39           2HB      LYS  39  -5.856  -7.001  -8.864
  313    HB3  LYS  39           3HB      LYS  39  -5.598  -7.515  -7.201
  314    HG2  LYS  39           2HG      LYS  39  -6.616  -5.373  -6.422
  315    HG3  LYS  39           3HG      LYS  39  -6.963  -4.961  -8.101
  316    HD2  LYS  39           2HD      LYS  39  -8.047  -7.421  -6.658
  317    HD3  LYS  39           3HD      LYS  39  -8.933  -5.909  -6.874
  318    HE2  LYS  39           2HE      LYS  39  -8.825  -6.188  -9.315
  319    HE3  LYS  39           3HE      LYS  39  -7.931  -7.696  -9.112
  320    HZ1  LYS  39           3HZ      LYS  39 -10.320  -8.021  -9.518
  321    HZ2  LYS  39           1HZ      LYS  39 -10.672  -7.218  -8.071
  322    HZ3  LYS  39           2HZ      LYS  39  -9.820  -8.676  -8.045
  323    H    ASN  40           H        ASN  40  -4.853  -3.451  -7.463
  324    HA   ASN  40           HA       ASN  40  -4.978  -2.451 -10.110
  325    HB2  ASN  40           2HB      ASN  40  -4.449  -0.957  -7.509
  326    HB3  ASN  40           3HB      ASN  40  -4.736  -0.160  -9.055
  327   HD21  ASN  40          1HD2      ASN  40  -6.276   0.067  -6.638
  328   HD22  ASN  40          2HD2      ASN  40  -7.872  -0.450  -7.020
  329    H    LEU  41           H        LEU  41  -2.231  -2.876  -7.955
  330    HA   LEU  41           HA       LEU  41  -0.402  -1.574  -9.908
  331    HB2  LEU  41           2HB      LEU  41  -0.034  -2.171  -6.950
  332    HB3  LEU  41           3HB      LEU  41   1.165  -1.390  -7.975
  333    HG   LEU  41           HG       LEU  41  -1.581  -0.247  -7.319
  334   HD11  LEU  41          1HD1      LEU  41  -0.133  -0.261  -5.352
  335   HD12  LEU  41          2HD1      LEU  41  -0.416   1.379  -5.930
  336   HD13  LEU  41          3HD1      LEU  41   1.128   0.586  -6.254
  337   HD21  LEU  41          3HD2      LEU  41  -0.780   1.799  -8.409
  338   HD22  LEU  41          1HD2      LEU  41  -0.798   0.450  -9.539
  339   HD23  LEU  41          2HD2      LEU  41   0.732   1.001  -8.847
  340    H    LYS  42           H        LYS  42  -1.469  -4.558  -9.656
  341    HA   LYS  42           HA       LYS  42  -0.749  -6.682  -9.984
  342    HB2  LYS  42           2HB      LYS  42   1.633  -5.205 -11.148
  343    HB3  LYS  42           3HB      LYS  42   1.470  -6.952 -11.250
  344    HG2  LYS  42           2HG      LYS  42  -0.579  -5.008 -12.367
  345    HG3  LYS  42           3HG      LYS  42   0.752  -5.679 -13.309
  346    HD2  LYS  42           2HD      LYS  42  -0.139  -7.995 -12.775
  347    HD3  LYS  42           3HD      LYS  42  -1.536  -7.226 -12.022
  348    HE2  LYS  42           2HE      LYS  42  -0.731  -6.914 -14.935
  349    HE3  LYS  42           3HE      LYS  42  -1.991  -7.996 -14.344
  350    HZ1  LYS  42           3HZ      LYS  42  -3.215  -6.072 -13.550
  351    HZ2  LYS  42           1HZ      LYS  42  -2.909  -5.940 -15.205
  352    HZ3  LYS  42           2HZ      LYS  42  -2.005  -5.034 -14.104
  353    H    LEU  43           H        LEU  43   0.191  -5.148  -7.455
  354    HA   LEU  43           HA       LEU  43   2.458  -6.720  -6.497
  355    HB2  LEU  43           2HB      LEU  43   0.703  -4.658  -5.101
  356    HB3  LEU  43           3HB      LEU  43   2.093  -5.435  -4.354
  357    HG   LEU  43           HG       LEU  43   2.154  -3.543  -6.735
  358   HD11  LEU  43          1HD1      LEU  43   1.704  -2.390  -4.633
  359   HD12  LEU  43          2HD1      LEU  43   3.315  -1.995  -5.226
  360   HD13  LEU  43          3HD1      LEU  43   3.123  -3.134  -3.889
  361   HD21  LEU  43          3HD2      LEU  43   3.906  -5.230  -6.997
  362   HD22  LEU  43          1HD2      LEU  43   4.480  -4.936  -5.352
  363   HD23  LEU  43          2HD2      LEU  43   4.617  -3.675  -6.581
  364    H    THR  44           H        THR  44   2.146  -7.601  -4.144
  365    HA   THR  44           HA       THR  44  -0.372  -9.165  -3.938
  366    HB   THR  44           HB       THR  44   0.794 -10.751  -2.521
  367    HG1  THR  44           HG1      THR  44   3.164 -10.333  -2.199
  368   HG21  THR  44          3HG2      THR  44   1.165 -11.088  -4.942
  369   HG22  THR  44          1HG2      THR  44   2.572 -11.602  -4.006
  370   HG23  THR  44          2HG2      THR  44   2.602 -10.063  -4.869
  371    H    GLU  45           H        GLU  45  -1.261  -9.409  -1.767
  372    HA   GLU  45           HA       GLU  45  -1.553  -7.072  -0.239
  373    HB2  GLU  45           2HB      GLU  45  -2.063  -9.960   0.621
  374    HB3  GLU  45           3HB      GLU  45  -2.569  -8.549   1.542
  375    HG2  GLU  45           2HG      GLU  45  -4.500  -9.294   0.396
  376    HG3  GLU  45           3HG      GLU  45  -3.962  -7.850  -0.458
  377    H    THR  46           H        THR  46   0.898  -9.577  -0.040
  378    HA   THR  46           HA       THR  46   1.945  -8.864   2.536
  379    HB   THR  46           HB       THR  46   3.215 -10.451   0.259
  380    HG1  THR  46           HG1      THR  46   2.744 -12.174   1.902
  381   HG21  THR  46          3HG2      THR  46   5.009  -9.539   1.696
  382   HG22  THR  46          1HG2      THR  46   4.836 -11.277   1.958
  383   HG23  THR  46          2HG2      THR  46   4.179 -10.139   3.133
  384    H    GLN  47           H        GLN  47   2.927  -8.090  -0.837
  385    HA   GLN  47           HA       GLN  47   5.183  -6.498  -0.260
  386    HB2  GLN  47           2HB      GLN  47   3.270  -6.360  -2.629
  387    HB3  GLN  47           3HB      GLN  47   4.796  -5.481  -2.546
  388    HG2  GLN  47           2HG      GLN  47   6.029  -7.602  -2.427
  389    HG3  GLN  47           3HG      GLN  47   4.511  -8.501  -2.486
  390   HE21  GLN  47          1HE2      GLN  47   6.772  -6.566  -4.323
  391   HE22  GLN  47          2HE2      GLN  47   6.138  -6.957  -5.879
  392    H    VAL  48           H        VAL  48   1.775  -5.562  -0.732
  393    HA   VAL  48           HA       VAL  48   2.066  -2.782  -0.267
  394    HB   VAL  48           HB       VAL  48  -0.398  -4.547   0.115
  395   HG11  VAL  48          1HG1      VAL  48  -0.699  -2.423   1.305
  396   HG12  VAL  48          2HG1      VAL  48  -1.740  -2.479  -0.115
  397   HG13  VAL  48          3HG1      VAL  48  -0.258  -1.518  -0.143
  398   HG21  VAL  48          3HG2      VAL  48   0.456  -2.884  -2.291
  399   HG22  VAL  48          1HG2      VAL  48  -1.048  -3.802  -2.151
  400   HG23  VAL  48          2HG2      VAL  48   0.501  -4.644  -2.178
  401    H    LYS  49           H        LYS  49   1.302  -5.478   1.977
  402    HA   LYS  49           HA       LYS  49   0.913  -3.988   4.346
  403    HB2  LYS  49           2HB      LYS  49   0.271  -6.359   4.080
  404    HB3  LYS  49           3HB      LYS  49   1.955  -6.834   3.993
  405    HG2  LYS  49           2HG      LYS  49   0.934  -5.452   6.477
  406    HG3  LYS  49           3HG      LYS  49   0.545  -7.148   6.221
  407    HD2  LYS  49           2HD      LYS  49   3.350  -5.966   6.401
  408    HD3  LYS  49           3HD      LYS  49   2.527  -6.892   7.659
  409    HE2  LYS  49           2HE      LYS  49   2.477  -8.864   6.183
  410    HE3  LYS  49           3HE      LYS  49   3.285  -7.944   4.910
  411    HZ1  LYS  49           3HZ      LYS  49   4.429  -8.535   7.588
  412    HZ2  LYS  49           1HZ      LYS  49   5.210  -7.712   6.336
  413    HZ3  LYS  49           2HZ      LYS  49   4.823  -9.346   6.165
  414    H    ILE  50           H        ILE  50   3.884  -5.372   2.952
  415    HA   ILE  50           HA       ILE  50   5.676  -4.698   5.038
  416    HB   ILE  50           HB       ILE  50   6.205  -5.306   2.092
  417   HG12  ILE  50          2HG1      ILE  50   6.584  -7.021   4.600
  418   HG13  ILE  50          3HG1      ILE  50   5.299  -7.208   3.414
  419   HG21  ILE  50          1HG2      ILE  50   8.275  -5.008   4.305
  420   HG22  ILE  50          2HG2      ILE  50   8.064  -3.929   2.925
  421   HG23  ILE  50          3HG2      ILE  50   8.603  -5.587   2.669
  422   HD11  ILE  50          3HD1      ILE  50   6.965  -7.806   1.719
  423   HD12  ILE  50          1HD1      ILE  50   6.999  -8.886   3.111
  424   HD13  ILE  50          2HD1      ILE  50   8.242  -7.648   2.929
  425    H    TRP  51           H        TRP  51   4.921  -3.091   1.928
  426    HA   TRP  51           HA       TRP  51   6.616  -0.890   2.066
  427    HB2  TRP  51           2HB      TRP  51   5.172  -1.574   0.083
  428    HB3  TRP  51           3HB      TRP  51   3.788  -0.868   0.903
  429    HD1  TRP  51           HD1      TRP  51   6.837   0.080  -1.168
  430    HE1  TRP  51           HE1      TRP  51   6.758   2.587  -1.721
  431    HE3  TRP  51           HE3      TRP  51   2.984   1.484   1.881
  432    HZ2  TRP  51           HZ2      TRP  51   5.269   4.857  -0.969
  433    HZ3  TRP  51           HZ3      TRP  51   2.295   3.839   1.915
  434    HH2  TRP  51           HH2      TRP  51   3.419   5.497   0.517
  435    H    PHE  52           H        PHE  52   3.174  -1.001   3.046
  436    HA   PHE  52           HA       PHE  52   3.029   1.495   4.300
  437    HB2  PHE  52           2HB      PHE  52   1.340  -1.001   4.461
  438    HB3  PHE  52           3HB      PHE  52   1.017   0.313   5.588
  439    HD1  PHE  52           HD1      PHE  52   1.382  -0.360   1.903
  440    HD2  PHE  52           HD2      PHE  52  -0.391   2.095   4.923
  441    HE1  PHE  52           HE1      PHE  52   0.073   0.811   0.189
  442    HE2  PHE  52           HE2      PHE  52  -1.698   3.256   3.196
  443    HZ   PHE  52           HZ       PHE  52  -1.462   2.622   0.831
  444    H    GLN  53           H        GLN  53   4.130  -1.611   5.670
  445    HA   GLN  53           HA       GLN  53   4.065  -0.750   8.401
  446    HB2  GLN  53           2HB      GLN  53   4.051  -3.151   7.793
  447    HB3  GLN  53           3HB      GLN  53   5.699  -3.010   7.182
  448    HG2  GLN  53           2HG      GLN  53   6.543  -2.530   9.413
  449    HG3  GLN  53           3HG      GLN  53   4.909  -2.450  10.060
  450   HE21  GLN  53          1HE2      GLN  53   3.969  -4.839   8.648
  451   HE22  GLN  53          2HE2      GLN  53   4.708  -6.175   9.449
  452    H    ASN  54           H        ASN  54   6.792  -1.065   6.091
  453    HA   ASN  54           HA       ASN  54   8.799   0.125   7.657
  454    HB2  ASN  54           2HB      ASN  54   8.453  -0.022   4.641
  455    HB3  ASN  54           3HB      ASN  54   9.869   0.709   5.383
  456   HD21  ASN  54          1HD2      ASN  54   8.403  -2.213   4.437
  457   HD22  ASN  54          2HD2      ASN  54   9.599  -3.277   5.071
  458    H    ARG  55           H        ARG  55   6.425   1.596   5.475
  459    HA   ARG  55           HA       ARG  55   7.393   4.260   5.666
  460    HB2  ARG  55           2HB      ARG  55   4.977   2.951   4.510
  461    HB3  ARG  55           3HB      ARG  55   4.750   4.623   4.978
  462    HG2  ARG  55           2HG      ARG  55   5.317   4.660   2.693
  463    HG3  ARG  55           3HG      ARG  55   6.746   5.219   3.557
  464    HD2  ARG  55           2HD      ARG  55   6.377   2.389   2.551
  465    HD3  ARG  55           3HD      ARG  55   7.175   3.654   1.625
  466    HE   ARG  55           HE       ARG  55   8.163   2.452   4.127
  467   HH11  ARG  55          2HH1      ARG  55   8.800   4.303   1.262
  468   HH12  ARG  55          1HH1      ARG  55  10.512   4.170   1.450
  469   HH21  ARG  55          1HH2      ARG  55  10.338   2.312   4.317
  470   HH22  ARG  55          2HH2      ARG  55  11.357   3.053   3.140
  471    H    ARG  56           H        ARG  56   5.025   2.452   7.647
  472    HA   ARG  56           HA       ARG  56   4.226   4.706   9.254
  473    HB2  ARG  56           2HB      ARG  56   3.978   1.702   9.616
  474    HB3  ARG  56           3HB      ARG  56   3.472   2.818  10.882
  475    HG2  ARG  56           2HG      ARG  56   1.816   3.821   9.405
  476    HG3  ARG  56           3HG      ARG  56   2.375   2.832   8.053
  477    HD2  ARG  56           2HD      ARG  56   1.210   1.682  10.614
  478    HD3  ARG  56           3HD      ARG  56   0.260   2.018   9.167
  479    HE   ARG  56           HE       ARG  56   1.758   0.411   7.995
  480   HH11  ARG  56          1HH1      ARG  56   1.487   0.114  11.440
  481   HH12  ARG  56          2HH1      ARG  56   1.679  -1.603  11.404
  482   HH21  ARG  56          1HH2      ARG  56   1.973  -1.783   7.995
  483   HH22  ARG  56          2HH2      ARG  56   1.955  -2.652   9.486
  484    H    TYR  57           H        TYR  57   6.792   2.321   9.385
  485    HA   TYR  57           HA       TYR  57   7.895   3.134  11.906
  486    HB2  TYR  57           2HB      TYR  57   8.237   0.872  10.831
  487    HB3  TYR  57           3HB      TYR  57   9.249   1.645   9.617
  488    HD1  TYR  57           HD1      TYR  57   8.974   0.997  13.292
  489    HD2  TYR  57           HD2      TYR  57  11.593   1.998  10.061
  490    HE1  TYR  57           HE1      TYR  57  10.912   0.697  14.770
  491    HE2  TYR  57           HE2      TYR  57  13.529   1.699  11.544
  492    HH   TYR  57           HH       TYR  57  13.311   0.188  14.581
  493    H    LYS  58           H        LYS  58   8.133   4.269   8.628
  494    HA   LYS  58           HA       LYS  58  10.434   6.005   9.175
  495    HB2  LYS  58           2HB      LYS  58   9.215   4.950   6.672
  496    HB3  LYS  58           3HB      LYS  58   9.852   6.586   6.568
  497    HG2  LYS  58           2HG      LYS  58  12.039   5.769   7.428
  498    HG3  LYS  58           3HG      LYS  58  11.407   4.120   7.430
  499    HD2  LYS  58           2HD      LYS  58  11.267   4.069   5.051
  500    HD3  LYS  58           3HD      LYS  58  11.461   5.816   4.911
  501    HE2  LYS  58           2HE      LYS  58  13.508   4.667   4.226
  502    HE3  LYS  58           3HE      LYS  58  13.800   5.614   5.683
  503    HZ1  LYS  58           3HZ      LYS  58  13.590   3.567   6.980
  504    HZ2  LYS  58           1HZ      LYS  58  14.837   3.462   5.841
  505    HZ3  LYS  58           2HZ      LYS  58  13.372   2.684   5.561
  506    H    THR  59           H        THR  59   7.062   6.305   9.467
  507    HA   THR  59           HA       THR  59   6.729   9.077   8.916
  508    HB   THR  59           HB       THR  59   4.901   9.128  10.570
  509    HG1  THR  59           HG1      THR  59   6.117   6.748  11.452
  510   HG21  THR  59          3HG2      THR  59   3.443   7.385   9.648
  511   HG22  THR  59          1HG2      THR  59   4.844   6.549   8.979
  512   HG23  THR  59          2HG2      THR  59   4.393   8.141   8.366
  513    H    LYS  60           H        LYS  60   6.575  10.850  10.594
  514    HA   LYS  60           HA       LYS  60   9.035  11.401  11.733
  515    HB2  LYS  60           2HB      LYS  60   7.913  13.293  12.918
  516    HB3  LYS  60           3HB      LYS  60   7.481  13.180  11.216
  517    HG2  LYS  60           2HG      LYS  60   5.309  12.227  11.773
  518    HG3  LYS  60           3HG      LYS  60   5.738  12.150  13.482
  519    HD2  LYS  60           2HD      LYS  60   4.276  14.067  13.084
  520    HD3  LYS  60           3HD      LYS  60   5.881  14.626  13.555
  521    HE2  LYS  60           2HE      LYS  60   6.386  15.002  11.115
  522    HE3  LYS  60           3HE      LYS  60   4.704  14.597  10.760
  523    HZ1  LYS  60           3HZ      LYS  60   5.660  16.846  12.449
  524    HZ2  LYS  60           1HZ      LYS  60   4.034  16.438  12.218
  525    HZ3  LYS  60           2HZ      LYS  60   4.966  16.970  10.915
  526    H    ARG  61           H        ARG  61  10.085  10.783  13.530
  527    HA   ARG  61           HA       ARG  61   8.621   9.601  15.833
  528    HB2  ARG  61           2HB      ARG  61  11.059   8.504  14.380
  529    HB3  ARG  61           3HB      ARG  61  10.634   7.987  16.007
  530    HG2  ARG  61           2HG      ARG  61   8.595   6.981  15.258
  531    HG3  ARG  61           3HG      ARG  61   8.737   7.710  13.657
  532    HD2  ARG  61           2HD      ARG  61   9.334   5.307  13.653
  533    HD3  ARG  61           3HD      ARG  61  10.676   6.335  13.151
  534    HE   ARG  61           HE       ARG  61  10.578   5.470  15.947
  535   HH11  ARG  61          1HH1      ARG  61  12.097   5.138  12.836
  536   HH12  ARG  61          2HH1      ARG  61  13.429   4.247  13.477
  537   HH21  ARG  61          1HH2      ARG  61  12.307   4.318  16.718
  538   HH22  ARG  61          2HH2      ARG  61  13.541   3.783  15.631
  539    H    LYS  62           H        LYS  62   9.554   9.872  17.855
  540    HA   LYS  62           HA       LYS  62  11.404  12.010  18.333
  541    HB2  LYS  62           2HB      LYS  62   9.625  11.465  19.956
  542    HB3  LYS  62           3HB      LYS  62  10.295   9.854  20.191
  543    HG2  LYS  62           2HG      LYS  62  12.332  10.847  21.185
  544    HG3  LYS  62           3HG      LYS  62  11.656  12.463  20.953
  545    HD2  LYS  62           2HD      LYS  62   9.788  11.899  22.483
  546    HD3  LYS  62           3HD      LYS  62  10.447  10.275  22.694
  547    HE2  LYS  62           2HE      LYS  62  12.491  11.262  23.695
  548    HE3  LYS  62           3HE      LYS  62  11.787  12.870  23.521
  549    HZ1  LYS  62           3HZ      LYS  62  10.698  10.655  25.180
  550    HZ2  LYS  62           1HZ      LYS  62   9.991  12.181  25.000
  551    HZ3  LYS  62           2HZ      LYS  62  11.496  12.033  25.754
  552    H    GLN  63           H        GLN  63  13.341  11.577  17.349
  553    HA   GLN  63           HA       GLN  63  15.191   9.692  18.559
  554    HB2  GLN  63           2HB      GLN  63  15.792   8.595  16.365
  555    HB3  GLN  63           3HB      GLN  63  14.182   8.183  16.943
  556    HG2  GLN  63           2HG      GLN  63  13.215   9.844  15.349
  557    HG3  GLN  63           3HG      GLN  63  14.837  10.153  14.726
  558   HE21  GLN  63          1HE2      GLN  63  12.489   9.105  13.302
  559   HE22  GLN  63          2HE2      GLN  63  12.968   7.579  12.658
  560    H    LEU  64           H        LEU  64  17.344   9.860  16.898
  561    HA   LEU  64           HA       LEU  64  18.157  12.619  17.103
  562    HB2  LEU  64           2HB      LEU  64  19.637  10.564  17.499
  563    HB3  LEU  64           3HB      LEU  64  19.677  10.340  15.766
  564    HG   LEU  64           HG       LEU  64  21.736  11.440  16.807
  565   HD11  LEU  64          1HD1      LEU  64  20.414  13.085  14.635
  566   HD12  LEU  64          2HD1      LEU  64  21.354  11.613  14.391
  567   HD13  LEU  64          3HD1      LEU  64  22.136  13.056  15.033
  568   HD21  LEU  64          3HD2      LEU  64  21.659  13.829  17.376
  569   HD22  LEU  64          1HD2      LEU  64  20.615  12.886  18.440
  570   HD23  LEU  64          2HD2      LEU  64  19.912  13.845  17.137
  571    H    SER  65           H        SER  65  17.988  10.363  14.321
  572    HA   SER  65           HA       SER  65  17.457  12.635  12.479
  573    HB2  SER  65           2HB      SER  65  18.768   9.945  11.876
  574    HB3  SER  65           3HB      SER  65  18.433  11.203  10.682
  575    HG   SER  65           HG       SER  65  20.385  11.084  12.662
  576    H    SER  66           H        SER  66  15.251  12.696  12.370
  577    HA   SER  66           HA       SER  66  13.570  10.363  12.298
  578    HB2  SER  66           2HB      SER  66  12.815  12.534  13.267
  579    HB3  SER  66           3HB      SER  66  12.833  13.249  11.660
  580    HG   SER  66           HG       SER  66  10.754  12.538  12.265
  581    H    GLU  67           H        GLU  67  14.299   9.155  10.574
  582    HA   GLU  67           HA       GLU  67  14.627  10.146   7.911
  583    HB2  GLU  67           2HB      GLU  67  14.530   7.304   9.009
  584    HB3  GLU  67           3HB      GLU  67  14.948   7.707   7.345
  585    HG2  GLU  67           2HG      GLU  67  16.483   8.563   9.819
  586    HG3  GLU  67           3HG      GLU  67  16.956   7.286   8.700
  587    H    LEU  68           H        LEU  68  12.996  10.682   6.602
  588    HA   LEU  68           HA       LEU  68  10.290   9.792   6.975
  589    HB2  LEU  68           2HB      LEU  68   9.854  11.188   4.876
  590    HB3  LEU  68           3HB      LEU  68  10.450  12.013   6.297
  591    HG   LEU  68           HG       LEU  68  12.737  12.106   5.264
  592   HD11  LEU  68          1HD1      LEU  68  13.058  11.700   2.866
  593   HD12  LEU  68          2HD1      LEU  68  11.433  11.019   2.755
  594   HD13  LEU  68          3HD1      LEU  68  12.664  10.216   3.732
  595   HD21  LEU  68          3HD2      LEU  68  12.228  13.912   3.679
  596   HD22  LEU  68          1HD2      LEU  68  11.222  14.022   5.121
  597   HD23  LEU  68          2HD2      LEU  68  10.540  13.401   3.615
  598    H    GLY  69           H        GLY  69   8.952   9.155   4.920
  599    HA2  GLY  69           2HA      GLY  69   9.641   6.480   4.262
  600    HA3  GLY  69           3HA      GLY  69   8.313   7.407   3.582
  Start of MODEL   20
    1    H1   MET   1           1H       MET   1  21.321   4.771  16.280
    2    H2   MET   1           2H       MET   1  19.733   5.290  16.506
    3    H3   MET   1           3H       MET   1  21.012   6.220  17.089
    4    HA   MET   1           HA       MET   1  20.116   7.216  15.110
    5    HB2  MET   1           2HB      MET   1  22.836   5.931  14.572
    6    HB3  MET   1           3HB      MET   1  22.204   7.374  13.781
    7    HG2  MET   1           2HG      MET   1  22.815   7.138  16.737
    8    HG3  MET   1           3HG      MET   1  23.857   7.906  15.539
    9    HE1  MET   1           3HE      MET   1  21.863  11.090  14.542
   10    HE2  MET   1           1HE      MET   1  22.032   9.563  13.679
   11    HE3  MET   1           2HE      MET   1  23.428  10.281  14.486
   12    H    GLY   2           H        GLY   2  18.372   6.242  14.089
   13    HA2  GLY   2           2HA      GLY   2  18.666   3.825  12.482
   14    HA3  GLY   2           3HA      GLY   2  17.196   4.740  12.754
   15    H    HIS   3           H        HIS   3  20.366   5.166  11.140
   16    HA   HIS   3           HA       HIS   3  18.987   6.331   8.764
   17    HB2  HIS   3           2HB      HIS   3  21.814   6.895   9.785
   18    HB3  HIS   3           3HB      HIS   3  21.160   7.497   8.266
   19    HD1  HIS   3           HD1      HIS   3  19.794   9.617   8.360
   20    HD2  HIS   3           HD2      HIS   3  20.561   8.064  12.136
   21    HE1  HIS   3           HE1      HIS   3  19.045  11.379   9.976
   22    HE2  HIS   3           HE2      HIS   3  19.710  10.498  12.229
   23    H    HIS   4           H        HIS   4  18.711   3.908   8.442
   24    HA   HIS   4           HA       HIS   4  20.814   2.885   6.658
   25    HB2  HIS   4           2HB      HIS   4  20.617   0.584   7.724
   26    HB3  HIS   4           3HB      HIS   4  21.429   1.790   8.710
   27    HD1  HIS   4           HD1      HIS   4  18.479  -0.462   8.659
   28    HD2  HIS   4           HD2      HIS   4  19.956   2.613  11.037
   29    HE1  HIS   4           HE1      HIS   4  17.170  -0.570  10.797
   30    HE2  HIS   4           HE2      HIS   4  18.164   1.214  12.260
   31    H    HIS   5           H        HIS   5  19.600   3.075   4.842
   32    HA   HIS   5           HA       HIS   5  16.741   2.592   4.805
   33    HB2  HIS   5           2HB      HIS   5  18.628   3.299   2.522
   34    HB3  HIS   5           3HB      HIS   5  16.868   3.325   2.447
   35    HD1  HIS   5           HD1      HIS   5  19.726   5.438   3.214
   36    HD2  HIS   5           HD2      HIS   5  15.701   5.365   4.254
   37    HE1  HIS   5           HE1      HIS   5  19.216   7.730   4.093
   38    HE2  HIS   5           HE2      HIS   5  16.837   7.591   4.902
   39    H    HIS   6           H        HIS   6  19.465   1.210   2.914
   40    HA   HIS   6           HA       HIS   6  19.851  -0.758   1.889
   41    HB2  HIS   6           2HB      HIS   6  19.512  -1.632   4.226
   42    HB3  HIS   6           3HB      HIS   6  17.826  -1.940   3.843
   43    HD1  HIS   6           HD1      HIS   6  17.370  -3.888   2.100
   44    HD2  HIS   6           HD2      HIS   6  21.294  -3.588   3.419
   45    HE1  HIS   6           HE1      HIS   6  18.453  -6.056   1.478
   46    HE2  HIS   6           HE2      HIS   6  20.753  -5.933   2.482
   47    H    HIS   7           H        HIS   7  19.071  -0.216  -0.142
   48    HA   HIS   7           HA       HIS   7  16.369   0.057  -0.869
   49    HB2  HIS   7           2HB      HIS   7  17.193   0.075  -3.246
   50    HB3  HIS   7           3HB      HIS   7  18.013   1.203  -2.178
   51    HD1  HIS   7           HD1      HIS   7  18.594  -1.930  -4.172
   52    HD2  HIS   7           HD2      HIS   7  20.754   0.722  -1.812
   53    HE1  HIS   7           HE1      HIS   7  21.010  -2.449  -4.604
   54    HE2  HIS   7           HE2      HIS   7  22.284  -0.948  -3.035
   55    H    HIS   8           H        HIS   8  14.829  -1.368  -1.174
   56    HA   HIS   8           HA       HIS   8  15.240  -3.928  -2.525
   57    HB2  HIS   8           2HB      HIS   8  14.248  -5.294  -0.772
   58    HB3  HIS   8           3HB      HIS   8  15.582  -4.395  -0.057
   59    HD1  HIS   8           HD1      HIS   8  12.231  -5.335   0.662
   60    HD2  HIS   8           HD2      HIS   8  14.431  -1.860   1.269
   61    HE1  HIS   8           HE1      HIS   8  11.034  -4.085   2.472
   62    HE2  HIS   8           HE2      HIS   8  12.489  -2.097   2.956
   63    H    SER   9           H        SER   9  13.515  -1.149  -2.293
   64    HA   SER   9           HA       SER   9  10.794  -1.868  -2.367
   65    HB2  SER   9           2HB      SER   9  12.227   0.545  -3.537
   66    HB3  SER   9           3HB      SER   9  10.471   0.364  -3.578
   67    HG   SER   9           HG       SER   9  11.768   1.465  -1.691
   68    H    HIS  10           H        HIS  10  10.331  -3.563  -3.650
   69    HA   HIS  10           HA       HIS  10  11.107  -4.002  -6.337
   70    HB2  HIS  10           2HB      HIS  10   8.655  -5.058  -4.855
   71    HB3  HIS  10           3HB      HIS  10   9.314  -5.719  -6.350
   72    HD1  HIS  10           HD1      HIS  10  12.002  -6.501  -6.027
   73    HD2  HIS  10           HD2      HIS  10   9.574  -6.390  -2.653
   74    HE1  HIS  10           HE1      HIS  10  13.140  -7.949  -4.326
   75    HE2  HIS  10           HE2      HIS  10  11.635  -7.904  -2.314
   76    H    MET  11           H        MET  11   8.663  -2.032  -4.925
   77    HA   MET  11           HA       MET  11   6.841  -1.696  -7.039
   78    HB2  MET  11           2HB      MET  11   7.569   0.277  -4.836
   79    HB3  MET  11           3HB      MET  11   6.130   0.365  -5.845
   80    HG2  MET  11           2HG      MET  11   5.512  -0.507  -3.714
   81    HG3  MET  11           3HG      MET  11   5.397  -1.820  -4.884
   82    HE1  MET  11           3HE      MET  11   6.454  -3.581  -1.529
   83    HE2  MET  11           1HE      MET  11   5.237  -3.492  -2.799
   84    HE3  MET  11           2HE      MET  11   5.429  -2.152  -1.669
   85    H    SER  12           H        SER  12   6.603  -0.081  -8.595
   86    HA   SER  12           HA       SER  12   9.028   1.160  -9.671
   87    HB2  SER  12           2HB      SER  12   7.331   0.056 -11.155
   88    HB3  SER  12           3HB      SER  12   6.148   1.269 -10.669
   89    HG   SER  12           HG       SER  12   8.094   1.417 -12.551
   90    H    HIS  13           H        HIS  13   8.865   3.567 -10.402
   91    HA   HIS  13           HA       HIS  13   8.764   5.252  -8.186
   92    HB2  HIS  13           2HB      HIS  13  10.028   5.801 -10.230
   93    HB3  HIS  13           3HB      HIS  13   8.536   6.017 -11.130
   94    HD1  HIS  13           HD1      HIS  13  10.823   7.752  -8.750
   95    HD2  HIS  13           HD2      HIS  13   7.178   8.491 -10.609
   96    HE1  HIS  13           HE1      HIS  13  10.398  10.203  -8.460
   97    HE2  HIS  13           HE2      HIS  13   8.236  10.646  -9.661
   98    H    THR  14           H        THR  14   6.354   5.250 -10.860
   99    HA   THR  14           HA       THR  14   4.468   7.000  -9.679
  100    HB   THR  14           HB       THR  14   3.906   4.808 -11.738
  101    HG1  THR  14           HG1      THR  14   4.650   6.173 -13.262
  102   HG21  THR  14          3HG2      THR  14   2.079   6.279 -12.512
  103   HG22  THR  14          1HG2      THR  14   2.458   7.448 -11.249
  104   HG23  THR  14          2HG2      THR  14   1.841   5.851 -10.817
  105    H    GLN  15           H        GLN  15   4.883   3.524  -9.501
  106    HA   GLN  15           HA       GLN  15   2.384   2.767  -8.393
  107    HB2  GLN  15           2HB      GLN  15   3.902   1.268  -9.619
  108    HB3  GLN  15           3HB      GLN  15   5.112   1.415  -8.351
  109    HG2  GLN  15           2HG      GLN  15   3.762   0.162  -6.809
  110    HG3  GLN  15           3HG      GLN  15   2.369   0.214  -7.899
  111   HE21  GLN  15          1HE2      GLN  15   2.402  -1.095  -9.778
  112   HE22  GLN  15          2HE2      GLN  15   3.477  -2.433  -9.924
  113    H    VAL  16           H        VAL  16   5.528   3.548  -6.876
  114    HA   VAL  16           HA       VAL  16   4.799   3.243  -4.170
  115    HB   VAL  16           HB       VAL  16   6.843   5.192  -5.363
  116   HG11  VAL  16          1HG1      VAL  16   6.230   5.910  -3.088
  117   HG12  VAL  16          2HG1      VAL  16   7.876   5.285  -3.110
  118   HG13  VAL  16          3HG1      VAL  16   6.566   4.295  -2.462
  119   HG21  VAL  16          3HG2      VAL  16   7.277   2.423  -4.167
  120   HG22  VAL  16          1HG2      VAL  16   8.543   3.504  -4.761
  121   HG23  VAL  16          2HG2      VAL  16   7.358   2.834  -5.879
  122    H    ILE  17           H        ILE  17   4.535   6.081  -6.368
  123    HA   ILE  17           HA       ILE  17   3.540   8.003  -4.576
  124    HB   ILE  17           HB       ILE  17   2.910   7.679  -7.549
  125   HG12  ILE  17          2HG1      ILE  17   4.992   9.438  -6.160
  126   HG13  ILE  17          3HG1      ILE  17   5.333   7.963  -7.055
  127   HG21  ILE  17          1HG2      ILE  17   2.472  10.142  -5.818
  128   HG22  ILE  17          2HG2      ILE  17   1.211   9.119  -6.503
  129   HG23  ILE  17          3HG2      ILE  17   2.251  10.062  -7.568
  130   HD11  ILE  17          3HD1      ILE  17   4.534   9.043  -9.116
  131   HD12  ILE  17          1HD1      ILE  17   5.883   9.903  -8.375
  132   HD13  ILE  17          2HD1      ILE  17   4.244  10.531  -8.209
  133    H    GLU  18           H        GLU  18   1.786   5.544  -6.449
  134    HA   GLU  18           HA       GLU  18  -0.863   6.231  -5.737
  135    HB2  GLU  18           2HB      GLU  18   0.385   3.591  -6.582
  136    HB3  GLU  18           3HB      GLU  18  -1.350   3.833  -6.430
  137    HG2  GLU  18           2HG      GLU  18   0.409   5.472  -8.273
  138    HG3  GLU  18           3HG      GLU  18  -0.420   4.005  -8.776
  139    H    LEU  19           H        LEU  19   1.410   3.894  -4.287
  140    HA   LEU  19           HA       LEU  19  -0.187   3.028  -2.115
  141    HB2  LEU  19           2HB      LEU  19   2.829   3.221  -2.438
  142    HB3  LEU  19           3HB      LEU  19   2.061   2.434  -1.073
  143    HG   LEU  19           HG       LEU  19   1.589   1.503  -3.925
  144   HD11  LEU  19          1HD1      LEU  19   3.994   1.392  -3.517
  145   HD12  LEU  19          2HD1      LEU  19   3.288  -0.218  -3.587
  146   HD13  LEU  19          3HD1      LEU  19   3.720   0.487  -2.027
  147   HD21  LEU  19          3HD2      LEU  19   0.918  -0.598  -2.866
  148   HD22  LEU  19          1HD2      LEU  19  -0.048   0.743  -2.259
  149   HD23  LEU  19          2HD2      LEU  19   1.249   0.075  -1.266
  150    H    GLU  20           H        GLU  20   1.902   5.902  -2.516
  151    HA   GLU  20           HA       GLU  20   1.960   6.733   0.216
  152    HB2  GLU  20           2HB      GLU  20   2.543   8.233  -2.372
  153    HB3  GLU  20           3HB      GLU  20   2.729   8.972  -0.785
  154    HG2  GLU  20           2HG      GLU  20   4.444   7.316  -0.195
  155    HG3  GLU  20           3HG      GLU  20   4.240   6.523  -1.754
  156    H    ARG  21           H        ARG  21  -0.122   7.564  -2.541
  157    HA   ARG  21           HA       ARG  21  -1.704   9.585  -1.389
  158    HB2  ARG  21           2HB      ARG  21  -2.459   7.477  -3.460
  159    HB3  ARG  21           3HB      ARG  21  -3.442   8.890  -3.085
  160    HG2  ARG  21           2HG      ARG  21  -1.703  10.383  -3.917
  161    HG3  ARG  21           3HG      ARG  21  -0.613   9.019  -4.175
  162    HD2  ARG  21           2HD      ARG  21  -1.626   9.739  -6.292
  163    HD3  ARG  21           3HD      ARG  21  -2.141   8.102  -5.876
  164    HE   ARG  21           HE       ARG  21  -3.921  10.288  -5.101
  165   HH11  ARG  21          1HH1      ARG  21  -3.307   7.746  -7.407
  166   HH12  ARG  21          2HH1      ARG  21  -4.928   7.779  -8.005
  167   HH21  ARG  21          1HH2      ARG  21  -5.970  10.283  -5.900
  168   HH22  ARG  21          2HH2      ARG  21  -6.416   9.186  -7.160
  169    H    LYS  22           H        LYS  22  -2.046   6.058  -1.328
  170    HA   LYS  22           HA       LYS  22  -4.514   5.992   0.136
  171    HB2  LYS  22           2HB      LYS  22  -3.727   4.198  -1.437
  172    HB3  LYS  22           3HB      LYS  22  -2.449   3.786  -0.301
  173    HG2  LYS  22           2HG      LYS  22  -4.343   2.216  -0.184
  174    HG3  LYS  22           3HG      LYS  22  -4.098   3.058   1.346
  175    HD2  LYS  22           2HD      LYS  22  -5.992   4.531   0.902
  176    HD3  LYS  22           3HD      LYS  22  -6.178   3.874  -0.726
  177    HE2  LYS  22           2HE      LYS  22  -6.899   1.738   0.149
  178    HE3  LYS  22           3HE      LYS  22  -6.500   2.222   1.798
  179    HZ1  LYS  22           3HZ      LYS  22  -8.255   3.795   1.798
  180    HZ2  LYS  22           1HZ      LYS  22  -8.902   2.340   1.237
  181    HZ3  LYS  22           2HZ      LYS  22  -8.554   3.585   0.148
  182    H    PHE  23           H        PHE  23  -1.095   5.582   1.001
  183    HA   PHE  23           HA       PHE  23  -1.386   4.952   3.728
  184    HB2  PHE  23           2HB      PHE  23   0.721   4.589   2.460
  185    HB3  PHE  23           3HB      PHE  23   0.956   6.333   2.339
  186    HD1  PHE  23           HD2      PHE  23   0.650   3.549   4.811
  187    HD2  PHE  23           HD1      PHE  23   2.096   7.502   4.099
  188    HE1  PHE  23           HE2      PHE  23   1.763   3.530   6.990
  189    HE2  PHE  23           HE1      PHE  23   3.200   7.483   6.283
  190    HZ   PHE  23           HZ       PHE  23   3.033   5.503   7.735
  191    H    SER  24           H        SER  24  -1.114   8.064   2.066
  192    HA   SER  24           HA       SER  24  -0.833   9.785   4.267
  193    HB2  SER  24           2HB      SER  24  -0.427  10.531   1.974
  194    HB3  SER  24           3HB      SER  24  -2.125  10.307   1.562
  195    HG   SER  24           HG       SER  24  -2.533  12.203   2.378
  196    H    HIS  25           H        HIS  25  -3.672   8.145   3.030
  197    HA   HIS  25           HA       HIS  25  -5.516   9.674   4.708
  198    HB2  HIS  25           2HB      HIS  25  -5.931   7.345   2.790
  199    HB3  HIS  25           3HB      HIS  25  -7.229   8.097   3.711
  200    HD1  HIS  25           HD1      HIS  25  -8.468   8.912   1.612
  201    HD2  HIS  25           HD2      HIS  25  -4.580  10.344   1.850
  202    HE1  HIS  25           HE1      HIS  25  -8.294  10.686  -0.142
  203    HE2  HIS  25           HE2      HIS  25  -6.000  11.664   0.151
  204    H    GLN  26           H        GLN  26  -4.042   6.408   4.595
  205    HA   GLN  26           HA       GLN  26  -4.783   5.937   7.396
  206    HB2  GLN  26           2HB      GLN  26  -5.849   3.750   6.905
  207    HB3  GLN  26           3HB      GLN  26  -6.737   5.110   6.232
  208    HG2  GLN  26           2HG      GLN  26  -5.694   4.620   4.003
  209    HG3  GLN  26           3HG      GLN  26  -4.962   3.180   4.721
  210   HE21  GLN  26          1HE2      GLN  26  -6.348   1.464   5.349
  211   HE22  GLN  26          2HE2      GLN  26  -7.937   1.307   4.701
  212    H    LYS  27           H        LYS  27  -3.351   4.763   8.508
  213    HA   LYS  27           HA       LYS  27  -0.806   3.998   7.414
  214    HB2  LYS  27           2HB      LYS  27  -1.983   3.422  10.167
  215    HB3  LYS  27           3HB      LYS  27  -0.285   3.278   9.732
  216    HG2  LYS  27           2HG      LYS  27  -1.894   5.842   9.898
  217    HG3  LYS  27           3HG      LYS  27  -0.654   5.297  11.030
  218    HD2  LYS  27           2HD      LYS  27   1.008   5.400   9.129
  219    HD3  LYS  27           3HD      LYS  27  -0.254   6.127   8.131
  220    HE2  LYS  27           2HE      LYS  27   1.132   7.899   8.982
  221    HE3  LYS  27           3HE      LYS  27  -0.412   7.987   9.830
  222    HZ1  LYS  27           3HZ      LYS  27   1.444   8.265  11.338
  223    HZ2  LYS  27           1HZ      LYS  27   2.083   6.763  10.882
  224    HZ3  LYS  27           2HZ      LYS  27   0.608   6.842  11.703
  225    H    TYR  28           H        TYR  28  -3.627   2.240   8.602
  226    HA   TYR  28           HA       TYR  28  -2.509  -0.374   7.732
  227    HB2  TYR  28           2HB      TYR  28  -4.756   0.071   9.753
  228    HB3  TYR  28           3HB      TYR  28  -3.927  -1.439   9.399
  229    HD1  TYR  28           HD2      TYR  28  -1.636  -1.854  10.316
  230    HD2  TYR  28           HD1      TYR  28  -3.768   1.737  11.238
  231    HE1  TYR  28           HE2      TYR  28  -0.099  -1.415  12.186
  232    HE2  TYR  28           HE1      TYR  28  -2.243   2.172  13.101
  233    HH   TYR  28           HH       TYR  28  -0.749   0.940  14.583
  234    H    LEU  29           H        LEU  29  -3.719  -1.581   6.270
  235    HA   LEU  29           HA       LEU  29  -6.107  -0.310   5.076
  236    HB2  LEU  29           2HB      LEU  29  -4.402  -2.606   4.042
  237    HB3  LEU  29           3HB      LEU  29  -5.694  -1.806   3.159
  238    HG   LEU  29           HG       LEU  29  -3.044  -0.556   3.973
  239   HD11  LEU  29          1HD1      LEU  29  -2.836  -2.150   2.122
  240   HD12  LEU  29          2HD1      LEU  29  -2.539  -0.496   1.598
  241   HD13  LEU  29          3HD1      LEU  29  -4.079  -1.275   1.220
  242   HD21  LEU  29          3HD2      LEU  29  -5.354   0.684   2.452
  243   HD22  LEU  29          1HD2      LEU  29  -3.762   1.412   2.679
  244   HD23  LEU  29          2HD2      LEU  29  -4.803   1.126   4.070
  245    H    SER  30           H        SER  30  -8.108  -1.362   4.888
  246    HA   SER  30           HA       SER  30  -8.705  -3.660   6.522
  247    HB2  SER  30           2HB      SER  30 -10.338  -2.388   4.286
  248    HB3  SER  30           3HB      SER  30 -10.946  -3.578   5.432
  249    HG   SER  30           HG       SER  30 -10.850  -0.940   5.689
  250    H    ALA  31           H        ALA  31  -9.561  -5.742   5.604
  251    HA   ALA  31           HA       ALA  31  -7.791  -7.027   3.896
  252    HB1  ALA  31           3HB      ALA  31 -10.636  -7.897   4.507
  253    HB2  ALA  31           1HB      ALA  31  -9.220  -8.218   5.511
  254    HB3  ALA  31           2HB      ALA  31  -9.336  -8.924   3.899
  255    HA   PRO  32           HA       PRO  32 -10.867  -6.250   0.100
  256    HB2  PRO  32           2HB      PRO  32 -12.316  -3.862   0.360
  257    HB3  PRO  32           3HB      PRO  32 -12.991  -5.484   0.604
  258    HG2  PRO  32           2HG      PRO  32 -11.974  -3.539   2.649
  259    HG3  PRO  32           3HG      PRO  32 -13.433  -4.557   2.692
  260    HD2  PRO  32           2HD      PRO  32 -11.242  -5.270   4.058
  261    HD3  PRO  32           3HD      PRO  32 -12.219  -6.502   3.227
  262    H    GLU  33           H        GLU  33  -9.809  -3.285   1.933
  263    HA   GLU  33           HA       GLU  33  -9.114  -1.798  -0.371
  264    HB2  GLU  33           2HB      GLU  33  -8.216  -1.439   2.515
  265    HB3  GLU  33           3HB      GLU  33  -7.989  -0.242   1.240
  266    HG2  GLU  33           2HG      GLU  33 -10.432  -0.040   0.980
  267    HG3  GLU  33           3HG      GLU  33 -10.670  -1.252   2.240
  268    H    ARG  34           H        ARG  34  -7.165  -3.959   1.650
  269    HA   ARG  34           HA       ARG  34  -4.619  -3.212   0.546
  270    HB2  ARG  34           2HB      ARG  34  -4.891  -4.226   2.814
  271    HB3  ARG  34           3HB      ARG  34  -5.391  -5.736   2.066
  272    HG2  ARG  34           2HG      ARG  34  -3.138  -5.903   0.981
  273    HG3  ARG  34           3HG      ARG  34  -2.656  -4.428   1.828
  274    HD2  ARG  34           2HD      ARG  34  -1.853  -6.476   2.972
  275    HD3  ARG  34           3HD      ARG  34  -2.950  -5.539   3.993
  276    HE   ARG  34           HE       ARG  34  -3.856  -7.889   2.446
  277   HH11  ARG  34          1HH1      ARG  34  -3.746  -6.195   5.474
  278   HH12  ARG  34          2HH1      ARG  34  -4.802  -7.326   6.246
  279   HH21  ARG  34          1HH2      ARG  34  -5.223  -9.269   3.449
  280   HH22  ARG  34          2HH2      ARG  34  -5.619  -9.049   5.118
  281    H    ALA  35           H        ALA  35  -6.907  -5.877  -0.007
  282    HA   ALA  35           HA       ALA  35  -5.463  -7.271  -2.009
  283    HB1  ALA  35           3HB      ALA  35  -7.600  -8.413  -2.448
  284    HB2  ALA  35           1HB      ALA  35  -8.461  -7.196  -1.495
  285    HB3  ALA  35           2HB      ALA  35  -7.305  -8.277  -0.717
  286    H    HIS  36           H        HIS  36  -7.876  -4.672  -2.183
  287    HA   HIS  36           HA       HIS  36  -8.142  -4.583  -5.019
  288    HB2  HIS  36           2HB      HIS  36  -8.829  -2.572  -2.843
  289    HB3  HIS  36           3HB      HIS  36  -9.098  -2.225  -4.548
  290    HD1  HIS  36           HD1      HIS  36 -11.671  -2.081  -4.151
  291    HD2  HIS  36           HD2      HIS  36 -10.045  -5.785  -3.234
  292    HE1  HIS  36           HE1      HIS  36 -13.620  -3.630  -3.892
  293    HE2  HIS  36           HE2      HIS  36 -12.597  -5.899  -3.558
  294    H    LEU  37           H        LEU  37  -6.220  -2.609  -2.713
  295    HA   LEU  37           HA       LEU  37  -4.951  -0.935  -4.625
  296    HB2  LEU  37           2HB      LEU  37  -5.039  -0.458  -2.192
  297    HB3  LEU  37           3HB      LEU  37  -3.973  -1.817  -1.882
  298    HG   LEU  37           HG       LEU  37  -2.150  -0.641  -3.141
  299   HD11  LEU  37          1HD1      LEU  37  -4.057   1.716  -3.257
  300   HD12  LEU  37          2HD1      LEU  37  -3.486   0.762  -4.629
  301   HD13  LEU  37          3HD1      LEU  37  -2.346   1.735  -3.706
  302   HD21  LEU  37          3HD2      LEU  37  -2.201  -0.477  -0.729
  303   HD22  LEU  37          1HD2      LEU  37  -3.318   0.887  -0.798
  304   HD23  LEU  37          2HD2      LEU  37  -1.670   1.058  -1.406
  305    H    ALA  38           H        ALA  38  -4.094  -4.102  -3.306
  306    HA   ALA  38           HA       ALA  38  -1.566  -4.465  -4.478
  307    HB1  ALA  38           3HB      ALA  38  -1.919  -6.874  -4.108
  308    HB2  ALA  38           1HB      ALA  38  -3.640  -6.588  -3.815
  309    HB3  ALA  38           2HB      ALA  38  -2.433  -5.938  -2.707
  310    H    LYS  39           H        LYS  39  -4.833  -5.431  -5.757
  311    HA   LYS  39           HA       LYS  39  -3.713  -6.432  -8.221
  312    HB2  LYS  39           2HB      LYS  39  -5.969  -6.844  -8.968
  313    HB3  LYS  39           3HB      LYS  39  -5.818  -7.333  -7.288
  314    HG2  LYS  39           2HG      LYS  39  -6.989  -5.276  -6.578
  315    HG3  LYS  39           3HG      LYS  39  -7.141  -4.777  -8.262
  316    HD2  LYS  39           2HD      LYS  39  -8.355  -7.302  -7.072
  317    HD3  LYS  39           3HD      LYS  39  -9.230  -5.798  -7.355
  318    HE2  LYS  39           2HE      LYS  39  -7.918  -7.482  -9.519
  319    HE3  LYS  39           3HE      LYS  39  -9.637  -7.488  -9.128
  320    HZ1  LYS  39           3HZ      LYS  39  -8.068  -5.202 -10.196
  321    HZ2  LYS  39           1HZ      LYS  39  -9.685  -5.099  -9.704
  322    HZ3  LYS  39           2HZ      LYS  39  -9.257  -6.087 -11.006
  323    H    ASN  40           H        ASN  40  -4.925  -3.269  -7.262
  324    HA   ASN  40           HA       ASN  40  -5.213  -2.049  -9.804
  325    HB2  ASN  40           2HB      ASN  40  -4.437  -0.809  -7.122
  326    HB3  ASN  40           3HB      ASN  40  -4.763   0.142  -8.566
  327   HD21  ASN  40          1HD2      ASN  40  -6.139   0.159  -5.994
  328   HD22  ASN  40          2HD2      ASN  40  -7.789  -0.206  -6.329
  329    H    LEU  41           H        LEU  41  -2.415  -2.632  -7.772
  330    HA   LEU  41           HA       LEU  41  -0.577  -1.388  -9.743
  331    HB2  LEU  41           2HB      LEU  41  -0.172  -2.058  -6.803
  332    HB3  LEU  41           3HB      LEU  41   1.002  -1.255  -7.834
  333    HG   LEU  41           HG       LEU  41  -1.721  -0.108  -7.081
  334   HD11  LEU  41          1HD1      LEU  41   1.020   0.655  -6.042
  335   HD12  LEU  41          2HD1      LEU  41  -0.246  -0.185  -5.140
  336   HD13  LEU  41          3HD1      LEU  41  -0.500   1.475  -5.673
  337   HD21  LEU  41          3HD2      LEU  41   0.572   1.186  -8.598
  338   HD22  LEU  41          1HD2      LEU  41  -0.933   1.969  -8.112
  339   HD23  LEU  41          2HD2      LEU  41  -0.967   0.663  -9.290
  340    H    LYS  42           H        LYS  42  -1.779  -4.376  -9.221
  341    HA   LYS  42           HA       LYS  42  -1.173  -6.522  -9.584
  342    HB2  LYS  42           2HB      LYS  42   0.999  -5.205 -11.252
  343    HB3  LYS  42           3HB      LYS  42   0.588  -6.912 -11.344
  344    HG2  LYS  42           2HG      LYS  42  -1.358  -4.661 -11.945
  345    HG3  LYS  42           3HG      LYS  42  -0.398  -5.485 -13.172
  346    HD2  LYS  42           2HD      LYS  42  -1.509  -7.620 -12.626
  347    HD3  LYS  42           3HD      LYS  42  -2.445  -6.825 -11.359
  348    HE2  LYS  42           2HE      LYS  42  -2.605  -6.117 -14.312
  349    HE3  LYS  42           3HE      LYS  42  -3.730  -7.193 -13.484
  350    HZ1  LYS  42           3HZ      LYS  42  -4.368  -5.352 -12.043
  351    HZ2  LYS  42           1HZ      LYS  42  -4.616  -4.960 -13.673
  352    HZ3  LYS  42           2HZ      LYS  42  -3.293  -4.323 -12.843
  353    H    LEU  43           H        LEU  43   0.024  -5.134  -7.275
  354    HA   LEU  43           HA       LEU  43   2.474  -6.618  -6.631
  355    HB2  LEU  43           2HB      LEU  43   0.857  -4.603  -5.016
  356    HB3  LEU  43           3HB      LEU  43   2.347  -5.346  -4.455
  357    HG   LEU  43           HG       LEU  43   2.123  -3.516  -6.874
  358   HD11  LEU  43          1HD1      LEU  43   3.271  -1.834  -5.502
  359   HD12  LEU  43          2HD1      LEU  43   3.189  -2.906  -4.102
  360   HD13  LEU  43          3HD1      LEU  43   1.705  -2.272  -4.820
  361   HD21  LEU  43          3HD2      LEU  43   4.589  -3.502  -6.829
  362   HD22  LEU  43          1HD2      LEU  43   3.952  -5.118  -7.126
  363   HD23  LEU  43          2HD2      LEU  43   4.580  -4.697  -5.529
  364    H    THR  44           H        THR  44   2.450  -7.507  -4.239
  365    HA   THR  44           HA       THR  44   0.094  -9.270  -3.852
  366    HB   THR  44           HB       THR  44   1.579 -10.562  -2.296
  367    HG1  THR  44           HG1      THR  44   3.981  -9.776  -2.947
  368   HG21  THR  44          3HG2      THR  44   1.429 -11.300  -4.637
  369   HG22  THR  44          1HG2      THR  44   3.048 -11.579  -4.000
  370   HG23  THR  44          2HG2      THR  44   2.749 -10.214  -5.078
  371    H    GLU  45           H        GLU  45  -0.969  -9.303  -1.855
  372    HA   GLU  45           HA       GLU  45  -1.223  -7.009  -0.289
  373    HB2  GLU  45           2HB      GLU  45  -1.871  -9.896   0.431
  374    HB3  GLU  45           3HB      GLU  45  -2.394  -8.507   1.378
  375    HG2  GLU  45           2HG      GLU  45  -3.670  -7.679  -0.595
  376    HG3  GLU  45           3HG      GLU  45  -3.199  -9.132  -1.475
  377    H    THR  46           H        THR  46   1.008  -9.704   0.100
  378    HA   THR  46           HA       THR  46   2.026  -9.145   2.673
  379    HB   THR  46           HB       THR  46   3.466 -10.410   0.290
  380    HG1  THR  46           HG1      THR  46   2.186 -11.719   2.482
  381   HG21  THR  46          3HG2      THR  46   5.073  -9.713   2.046
  382   HG22  THR  46          1HG2      THR  46   4.938 -11.482   1.961
  383   HG23  THR  46          2HG2      THR  46   4.135 -10.590   3.251
  384    H    GLN  47           H        GLN  47   3.359  -8.201  -0.565
  385    HA   GLN  47           HA       GLN  47   5.448  -6.559   0.403
  386    HB2  GLN  47           2HB      GLN  47   4.008  -6.565  -2.272
  387    HB3  GLN  47           3HB      GLN  47   5.381  -5.520  -1.941
  388    HG2  GLN  47           2HG      GLN  47   6.740  -7.582  -1.470
  389    HG3  GLN  47           3HG      GLN  47   5.370  -8.544  -2.024
  390   HE21  GLN  47          1HE2      GLN  47   4.704  -6.535  -4.166
  391   HE22  GLN  47          2HE2      GLN  47   5.883  -6.798  -5.391
  392    H    VAL  48           H        VAL  48   2.108  -5.718  -0.521
  393    HA   VAL  48           HA       VAL  48   2.281  -2.917  -0.233
  394    HB   VAL  48           HB       VAL  48  -0.125  -4.765   0.154
  395   HG11  VAL  48          1HG1      VAL  48  -0.120  -1.744  -0.222
  396   HG12  VAL  48          2HG1      VAL  48  -0.592  -2.615   1.237
  397   HG13  VAL  48          3HG1      VAL  48  -1.554  -2.776  -0.229
  398   HG21  VAL  48          3HG2      VAL  48   0.727  -3.144  -2.283
  399   HG22  VAL  48          1HG2      VAL  48  -0.720  -4.151  -2.162
  400   HG23  VAL  48          2HG2      VAL  48   0.879  -4.891  -2.103
  401    H    LYS  49           H        LYS  49   1.382  -5.442   2.139
  402    HA   LYS  49           HA       LYS  49   0.959  -3.820   4.411
  403    HB2  LYS  49           2HB      LYS  49   0.251  -6.173   4.252
  404    HB3  LYS  49           3HB      LYS  49   1.926  -6.698   4.191
  405    HG2  LYS  49           2HG      LYS  49   2.200  -5.754   6.539
  406    HG3  LYS  49           3HG      LYS  49   0.453  -5.499   6.559
  407    HD2  LYS  49           2HD      LYS  49   1.024  -7.623   7.672
  408    HD3  LYS  49           3HD      LYS  49   0.087  -7.925   6.208
  409    HE2  LYS  49           2HE      LYS  49   2.221  -8.432   4.996
  410    HE3  LYS  49           3HE      LYS  49   3.096  -8.227   6.514
  411    HZ1  LYS  49           3HZ      LYS  49   1.006 -10.267   5.966
  412    HZ2  LYS  49           1HZ      LYS  49   1.808 -10.070   7.441
  413    HZ3  LYS  49           2HZ      LYS  49   2.672 -10.555   6.068
  414    H    ILE  50           H        ILE  50   3.937  -5.335   3.165
  415    HA   ILE  50           HA       ILE  50   5.704  -4.580   5.271
  416    HB   ILE  50           HB       ILE  50   6.268  -5.362   2.374
  417   HG12  ILE  50          2HG1      ILE  50   6.584  -6.963   4.963
  418   HG13  ILE  50          3HG1      ILE  50   5.260  -7.142   3.819
  419   HG21  ILE  50          1HG2      ILE  50   8.645  -5.689   3.025
  420   HG22  ILE  50          2HG2      ILE  50   8.302  -5.007   4.616
  421   HG23  ILE  50          3HG2      ILE  50   8.154  -4.001   3.175
  422   HD11  ILE  50          3HD1      ILE  50   6.845  -7.907   2.114
  423   HD12  ILE  50          1HD1      ILE  50   6.875  -8.914   3.560
  424   HD13  ILE  50          2HD1      ILE  50   8.165  -7.746   3.277
  425    H    TRP  51           H        TRP  51   4.917  -3.058   2.136
  426    HA   TRP  51           HA       TRP  51   6.716  -0.898   2.221
  427    HB2  TRP  51           2HB      TRP  51   5.337  -1.609   0.210
  428    HB3  TRP  51           3HB      TRP  51   3.921  -0.897   0.974
  429    HD1  TRP  51           HD1      TRP  51   7.050   0.058  -0.993
  430    HE1  TRP  51           HE1      TRP  51   6.957   2.554  -1.587
  431    HE3  TRP  51           HE3      TRP  51   3.059   1.419   1.873
  432    HZ2  TRP  51           HZ2      TRP  51   5.394   4.802  -0.925
  433    HZ3  TRP  51           HZ3      TRP  51   2.327   3.760   1.851
  434    HH2  TRP  51           HH2      TRP  51   3.476   5.420   0.480
  435    H    PHE  52           H        PHE  52   3.254  -0.976   3.128
  436    HA   PHE  52           HA       PHE  52   3.060   1.462   4.461
  437    HB2  PHE  52           2HB      PHE  52   1.487  -1.115   4.642
  438    HB3  PHE  52           3HB      PHE  52   1.131   0.189   5.770
  439    HD1  PHE  52           HD1      PHE  52   1.637  -0.239   2.038
  440    HD2  PHE  52           HD2      PHE  52  -0.594   1.665   5.147
  441    HE1  PHE  52           HE1      PHE  52   0.227   0.865   0.356
  442    HE2  PHE  52           HE2      PHE  52  -1.997   2.761   3.457
  443    HZ   PHE  52           HZ       PHE  52  -1.591   2.369   1.061
  444    H    GLN  53           H        GLN  53   4.318  -1.626   5.705
  445    HA   GLN  53           HA       GLN  53   4.532  -1.021   8.449
  446    HB2  GLN  53           2HB      GLN  53   4.931  -3.288   7.518
  447    HB3  GLN  53           3HB      GLN  53   6.397  -2.716   6.736
  448    HG2  GLN  53           2HG      GLN  53   7.287  -2.192   9.071
  449    HG3  GLN  53           3HG      GLN  53   5.902  -3.082   9.703
  450   HE21  GLN  53          1HE2      GLN  53   8.710  -3.724  10.037
  451   HE22  GLN  53          2HE2      GLN  53   8.947  -5.290   9.350
  452    H    ASN  54           H        ASN  54   7.024  -0.653   5.896
  453    HA   ASN  54           HA       ASN  54   8.981   0.642   7.481
  454    HB2  ASN  54           2HB      ASN  54   8.584   0.771   4.463
  455    HB3  ASN  54           3HB      ASN  54  10.018   1.344   5.301
  456   HD21  ASN  54          1HD2      ASN  54   8.464  -1.363   3.935
  457   HD22  ASN  54          2HD2      ASN  54   9.625  -2.548   4.411
  458    H    ARG  55           H        ARG  55   6.385   1.984   5.454
  459    HA   ARG  55           HA       ARG  55   7.140   4.709   5.839
  460    HB2  ARG  55           2HB      ARG  55   4.746   3.327   4.674
  461    HB3  ARG  55           3HB      ARG  55   4.591   5.022   5.103
  462    HG2  ARG  55           2HG      ARG  55   5.139   4.981   2.810
  463    HG3  ARG  55           3HG      ARG  55   6.601   5.495   3.642
  464    HD2  ARG  55           2HD      ARG  55   6.195   2.600   2.870
  465    HD3  ARG  55           3HD      ARG  55   6.756   3.770   1.687
  466    HE   ARG  55           HE       ARG  55   8.329   3.694   4.104
  467   HH11  ARG  55          1HH1      ARG  55   7.907   2.273   0.967
  468   HH12  ARG  55          2HH1      ARG  55   9.562   1.791   0.849
  469   HH21  ARG  55          1HH2      ARG  55  10.471   3.059   3.896
  470   HH22  ARG  55          2HH2      ARG  55  10.974   2.222   2.470
  471    H    ARG  56           H        ARG  56   5.068   2.528   7.754
  472    HA   ARG  56           HA       ARG  56   4.095   4.559   9.551
  473    HB2  ARG  56           2HB      ARG  56   4.357   1.540   9.839
  474    HB3  ARG  56           3HB      ARG  56   3.709   2.554  11.124
  475    HG2  ARG  56           2HG      ARG  56   1.884   3.290   9.644
  476    HG3  ARG  56           3HG      ARG  56   2.537   2.305   8.335
  477    HD2  ARG  56           2HD      ARG  56   1.448   1.280  10.983
  478    HD3  ARG  56           3HD      ARG  56   0.648   1.178   9.415
  479    HE   ARG  56           HE       ARG  56   2.385  -0.365   8.700
  480   HH11  ARG  56          1HH1      ARG  56   2.239   0.166  12.128
  481   HH12  ARG  56          2HH1      ARG  56   2.985  -1.347  12.492
  482   HH21  ARG  56          1HH2      ARG  56   3.322  -2.299   9.225
  483   HH22  ARG  56          2HH2      ARG  56   3.591  -2.707  10.882
  484    H    TYR  57           H        TYR  57   6.948   2.495   9.438
  485    HA   TYR  57           HA       TYR  57   8.217   3.378  11.834
  486    HB2  TYR  57           2HB      TYR  57   8.895   1.293  10.783
  487    HB3  TYR  57           3HB      TYR  57   9.268   2.104   9.272
  488    HD1  TYR  57           HD1      TYR  57  10.444   1.606  12.787
  489    HD2  TYR  57           HD2      TYR  57  11.452   3.073   8.897
  490    HE1  TYR  57           HE1      TYR  57  12.803   1.778  13.461
  491    HE2  TYR  57           HE2      TYR  57  13.808   3.248   9.574
  492    HH   TYR  57           HH       TYR  57  15.055   1.796  12.351
  493    H    LYS  58           H        LYS  58   7.884   4.791   8.640
  494    HA   LYS  58           HA       LYS  58   9.965   6.812   8.971
  495    HB2  LYS  58           2HB      LYS  58   7.771   6.449   6.901
  496    HB3  LYS  58           3HB      LYS  58   8.834   7.850   6.900
  497    HG2  LYS  58           2HG      LYS  58  10.756   6.510   6.403
  498    HG3  LYS  58           3HG      LYS  58   9.874   5.012   6.707
  499    HD2  LYS  58           2HD      LYS  58  10.150   5.368   4.296
  500    HD3  LYS  58           3HD      LYS  58   8.449   5.429   4.740
  501    HE2  LYS  58           2HE      LYS  58   8.857   7.165   3.130
  502    HE3  LYS  58           3HE      LYS  58   8.601   7.946   4.688
  503    HZ1  LYS  58           3HZ      LYS  58  10.950   8.277   4.911
  504    HZ2  LYS  58           1HZ      LYS  58  10.466   8.872   3.404
  505    HZ3  LYS  58           2HZ      LYS  58  11.270   7.389   3.509
  506    H    THR  59           H        THR  59   6.625   6.473   9.939
  507    HA   THR  59           HA       THR  59   6.224   9.394  10.234
  508    HB   THR  59           HB       THR  59   3.828   8.825  10.794
  509    HG1  THR  59           HG1      THR  59   4.635   6.422  11.149
  510   HG21  THR  59          3HG2      THR  59   4.406   9.496   8.503
  511   HG22  THR  59          1HG2      THR  59   3.118   8.286   8.494
  512   HG23  THR  59          2HG2      THR  59   4.772   7.820   8.090
  513    H    LYS  60           H        LYS  60   5.286  10.168  12.298
  514    HA   LYS  60           HA       LYS  60   5.547  10.643  14.484
  515    HB2  LYS  60           2HB      LYS  60   4.461   8.428  14.878
  516    HB3  LYS  60           3HB      LYS  60   6.045   7.671  14.923
  517    HG2  LYS  60           2HG      LYS  60   6.601   8.834  16.987
  518    HG3  LYS  60           3HG      LYS  60   5.125   9.799  16.887
  519    HD2  LYS  60           2HD      LYS  60   4.863   7.990  18.539
  520    HD3  LYS  60           3HD      LYS  60   3.754   7.769  17.188
  521    HE2  LYS  60           2HE      LYS  60   5.342   6.093  16.218
  522    HE3  LYS  60           3HE      LYS  60   6.353   6.269  17.653
  523    HZ1  LYS  60           3HZ      LYS  60   3.524   5.349  17.657
  524    HZ2  LYS  60           1HZ      LYS  60   4.539   5.458  19.007
  525    HZ3  LYS  60           2HZ      LYS  60   4.876   4.343  17.785
  526    H    ARG  61           H        ARG  61   7.959   9.725  12.508
  527    HA   ARG  61           HA       ARG  61  10.277   9.870  14.213
  528    HB2  ARG  61           2HB      ARG  61  10.248   8.645  12.026
  529    HB3  ARG  61           3HB      ARG  61   9.977  10.164  11.185
  530    HG2  ARG  61           2HG      ARG  61  12.284   9.620  10.926
  531    HG3  ARG  61           3HG      ARG  61  12.203  10.964  12.062
  532    HD2  ARG  61           2HD      ARG  61  12.505   9.394  13.947
  533    HD3  ARG  61           3HD      ARG  61  12.567   8.039  12.810
  534    HE   ARG  61           HE       ARG  61  14.529   9.767  11.968
  535   HH11  ARG  61          1HH1      ARG  61  13.921   8.089  14.951
  536   HH12  ARG  61          2HH1      ARG  61  15.598   7.989  15.349
  537   HH21  ARG  61          1HH2      ARG  61  16.649   9.619  12.508
  538   HH22  ARG  61          2HH2      ARG  61  17.122   8.854  13.987
  539    H    LYS  62           H        LYS  62  10.868  11.764  15.143
  540    HA   LYS  62           HA       LYS  62   9.622  14.254  14.517
  541    HB2  LYS  62           2HB      LYS  62  10.238  13.586  16.823
  542    HB3  LYS  62           3HB      LYS  62  11.943  13.664  16.396
  543    HG2  LYS  62           2HG      LYS  62  11.682  16.120  15.961
  544    HG3  LYS  62           3HG      LYS  62   9.998  16.002  16.481
  545    HD2  LYS  62           2HD      LYS  62  11.372  16.840  18.322
  546    HD3  LYS  62           3HD      LYS  62  10.751  15.239  18.725
  547    HE2  LYS  62           2HE      LYS  62  12.933  14.241  18.133
  548    HE3  LYS  62           3HE      LYS  62  13.550  15.837  17.699
  549    HZ1  LYS  62           3HZ      LYS  62  12.711  14.938  20.405
  550    HZ2  LYS  62           1HZ      LYS  62  13.156  16.522  20.026
  551    HZ3  LYS  62           2HZ      LYS  62  14.287  15.274  19.889
  552    H    GLN  63           H        GLN  63  10.217  14.633  12.341
  553    HA   GLN  63           HA       GLN  63  12.927  15.732  11.851
  554    HB2  GLN  63           2HB      GLN  63  10.658  15.313   9.858
  555    HB3  GLN  63           3HB      GLN  63  12.332  15.704   9.476
  556    HG2  GLN  63           2HG      GLN  63  11.482  13.121  10.820
  557    HG3  GLN  63           3HG      GLN  63  11.622  13.306   9.077
  558   HE21  GLN  63          1HE2      GLN  63  13.139  11.611   9.082
  559   HE22  GLN  63          2HE2      GLN  63  14.775  11.859   9.563
  560    H    LEU  64           H        LEU  64   9.632  16.564  12.376
  561    HA   LEU  64           HA       LEU  64  10.118  19.452  12.008
  562    HB2  LEU  64           2HB      LEU  64   8.207  18.491  10.661
  563    HB3  LEU  64           3HB      LEU  64   7.442  17.992  12.160
  564    HG   LEU  64           HG       LEU  64   7.254  20.403  12.842
  565   HD11  LEU  64          1HD1      LEU  64   9.134  21.334  11.585
  566   HD12  LEU  64          2HD1      LEU  64   7.645  22.196  11.216
  567   HD13  LEU  64          3HD1      LEU  64   8.297  21.029  10.060
  568   HD21  LEU  64          3HD2      LEU  64   5.419  20.992  11.318
  569   HD22  LEU  64          1HD2      LEU  64   5.357  19.286  11.760
  570   HD23  LEU  64          2HD2      LEU  64   5.955  19.762  10.169
  571    H    SER  65           H        SER  65  11.276  19.361  13.998
  572    HA   SER  65           HA       SER  65  10.256  18.622  16.525
  573    HB2  SER  65           2HB      SER  65  12.342  20.752  15.867
  574    HB3  SER  65           3HB      SER  65  12.102  20.009  17.449
  575    HG   SER  65           HG       SER  65  13.832  19.104  16.123
  576    H    SER  66           H        SER  66   9.726  20.085  18.333
  577    HA   SER  66           HA       SER  66   7.483  21.709  17.896
  578    HB2  SER  66           2HB      SER  66   7.959  20.553  20.045
  579    HB3  SER  66           3HB      SER  66   9.319  21.644  20.335
  580    HG   SER  66           HG       SER  66   6.547  22.254  20.245
  581    H    GLU  67           H        GLU  67   7.618  23.534  16.663
  582    HA   GLU  67           HA       GLU  67  10.020  25.009  16.289
  583    HB2  GLU  67           2HB      GLU  67   7.190  25.649  15.340
  584    HB3  GLU  67           3HB      GLU  67   8.657  26.432  14.754
  585    HG2  GLU  67           2HG      GLU  67   9.477  24.241  13.905
  586    HG3  GLU  67           3HG      GLU  67   7.989  23.481  14.464
  587    H    LEU  68           H        LEU  68  10.268  27.349  16.462
  588    HA   LEU  68           HA       LEU  68  10.144  28.179  19.137
  589    HB2  LEU  68           2HB      LEU  68  11.887  28.885  17.503
  590    HB3  LEU  68           3HB      LEU  68  10.695  29.864  16.669
  591    HG   LEU  68           HG       LEU  68  10.451  31.261  18.769
  592   HD11  LEU  68          1HD1      LEU  68  11.216  29.649  20.424
  593   HD12  LEU  68          2HD1      LEU  68  12.173  31.124  20.513
  594   HD13  LEU  68          3HD1      LEU  68  12.849  29.682  19.748
  595   HD21  LEU  68          3HD2      LEU  68  13.238  31.186  17.554
  596   HD22  LEU  68          1HD2      LEU  68  12.535  32.535  18.455
  597   HD23  LEU  68          2HD2      LEU  68  11.838  32.050  16.913
  598    H    GLY  69           H        GLY  69   8.067  28.304  19.963
  599    HA2  GLY  69           2HA      GLY  69   6.129  29.347  20.623
  600    HA3  GLY  69           3HA      GLY  69   6.553  30.713  19.607