*HEADER   MUSCLE PROTEIN                          14-JUL-97   1SPY    
*TITLE    REGULATORY DOMAIN OF HUMAN CARDIAC TROPONIN C IN THE        
*TITLE   2 CALCIUM-FREE STATE, NMR, 40 STRUCTURES                     
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: TROPONIN C;                                      
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 FRAGMENT: REGULATORY;                                      
*COMPND  5 SYNONYM: CNTNC;                                            
*COMPND  6 ENGINEERED: YES                                            
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                         
*SOURCE  3 ORGANISM_COMMON: HUMAN;                                    
*SOURCE  4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                       
*SOURCE  5 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3) PLYSS;                
*SOURCE  6 EXPRESSION_SYSTEM_PLASMID: PET3D                           
*KEYWDS   MUSCLE PROTEIN, CALCIUM-BINDING, TROPONIN C, MUSCLE         
*KEYWDS  2 REGULATION                                                 
*EXPDTA   NMR, 40 STRUCTURES                                          
*AUTHOR   L.SPYRACOPOULOS,M.X.LI,S.K.SIA,S.M.GAGNE,M.CHANDRA,         
*AUTHOR  2 R.J.SOLARO,B.D.SYKES                                       
*REVDAT  1   16-SEP-98 1SPY    0                                      
 
!
!  PHI DIHEDRAL RESTRAINTS
!
assign (resid   6 and name    C) (resid   7 and name    N)
       (resid   7 and name   CA) (resid   7 and name    C)  1.0  -60.5   20.0 2
assign (resid   7 and name    C) (resid   8 and name    N)
       (resid   8 and name   CA) (resid   8 and name    C)  1.0  -68.0   20.0 2
assign (resid   8 and name    C) (resid   9 and name    N)
       (resid   9 and name   CA) (resid   9 and name    C)  1.0  -67.0   20.0 2
assign (resid   9 and name    C) (resid  10 and name    N)
       (resid  10 and name   CA) (resid  10 and name    C)  1.0  -67.0   20.0 2
assign (resid  11 and name    C) (resid  12 and name    N)
       (resid  12 and name   CA) (resid  12 and name    C)  1.0  -72.0   20.0 2
assign (resid  13 and name    C) (resid  14 and name    N)
       (resid  14 and name   CA) (resid  14 and name    C)  1.0  -52.5   20.0 2
assign (resid  14 and name    C) (resid  15 and name    N)
       (resid  15 and name   CA) (resid  15 and name    C)  1.0  -60.5   20.0 2
assign (resid  15 and name    C) (resid  16 and name    N)
       (resid  16 and name   CA) (resid  16 and name    C)  1.0  -64.5   20.0 2
assign (resid  17 and name    C) (resid  18 and name    N)
       (resid  18 and name   CA) (resid  18 and name    C)  1.0  -61.5   20.0 2
assign (resid  18 and name    C) (resid  19 and name    N)
       (resid  19 and name   CA) (resid  19 and name    C)  1.0  -67.0   20.0 2
assign (resid  19 and name    C) (resid  20 and name    N)
       (resid  20 and name   CA) (resid  20 and name    C)  1.0  -60.5   20.0 2
assign (resid  20 and name    C) (resid  21 and name    N)
       (resid  21 and name   CA) (resid  21 and name    C)  1.0  -56.5   20.0 2
assign (resid  21 and name    C) (resid  22 and name    N)
       (resid  22 and name   CA) (resid  22 and name    C)  1.0  -58.0   20.0 2
assign (resid  24 and name    C) (resid  25 and name    N)
       (resid  25 and name   CA) (resid  25 and name    C)  1.0  -44.5   20.0 2
assign (resid  25 and name    C) (resid  26 and name    N)
       (resid  26 and name   CA) (resid  26 and name    C)  1.0  -69.0   20.0 2
assign (resid  26 and name    C) (resid  27 and name    N)
       (resid  27 and name   CA) (resid  27 and name    C)  1.0 -120.0   33.0 2
assign (resid  34 and name    C) (resid  35 and name    N)
       (resid  35 and name   CA) (resid  35 and name    C)  1.0 -131.5   24.5 2
assign (resid  35 and name    C) (resid  36 and name    N)
       (resid  36 and name   CA) (resid  36 and name    C)  1.0 -120.0   26.0 2
assign (resid  36 and name    C) (resid  37 and name    N)
       (resid  37 and name   CA) (resid  37 and name    C)  1.0  -71.5   20.0 2
assign (resid  37 and name    C) (resid  38 and name    N)
       (resid  38 and name   CA) (resid  38 and name    C)  1.0  -60.5   20.0 2
assign (resid  38 and name    C) (resid  39 and name    N)
       (resid  39 and name   CA) (resid  39 and name    C)  1.0  -63.5   20.0 2
assign (resid  39 and name    C) (resid  40 and name    N)
       (resid  40 and name   CA) (resid  40 and name    C)  1.0 -100.5   20.0 2
assign (resid  40 and name    C) (resid  41 and name    N)
       (resid  41 and name   CA) (resid  41 and name    C)  1.0  -51.0   20.0 2
assign (resid  42 and name    C) (resid  43 and name    N)
       (resid  43 and name   CA) (resid  43 and name    C)  1.0  -69.0   20.0 2
assign (resid  43 and name    C) (resid  44 and name    N)
       (resid  44 and name   CA) (resid  44 and name    C)  1.0  -64.5   20.0 2
assign (resid  45 and name    C) (resid  46 and name    N)
       (resid  46 and name   CA) (resid  46 and name    C)  1.0  -62.5   20.0 2
assign (resid  46 and name    C) (resid  47 and name    N)
       (resid  47 and name   CA) (resid  47 and name    C)  1.0  -62.5   20.0 2
assign (resid  47 and name    C) (resid  48 and name    N)
       (resid  48 and name   CA) (resid  48 and name    C)  1.0 -120.0   38.0 2
assign (resid  50 and name    C) (resid  51 and name    N)
       (resid  51 and name   CA) (resid  51 and name    C)  1.0 -120.0   32.0 2
assign (resid  54 and name    C) (resid  55 and name    N)
       (resid  55 and name   CA) (resid  55 and name    C)  1.0  -63.5   20.0 2
assign (resid  55 and name    C) (resid  56 and name    N)
       (resid  56 and name   CA) (resid  56 and name    C)  1.0  -70.0   20.0 2
assign (resid  56 and name    C) (resid  57 and name    N)
       (resid  57 and name   CA) (resid  57 and name    C)  1.0  -62.5   20.0 2
assign (resid  57 and name    C) (resid  58 and name    N)
       (resid  58 and name   CA) (resid  58 and name    C)  1.0  -56.5   20.0 2
assign (resid  60 and name    C) (resid  61 and name    N)
       (resid  61 and name   CA) (resid  61 and name    C)  1.0  -61.5   20.0 2
assign (resid  61 and name    C) (resid  62 and name    N)
       (resid  62 and name   CA) (resid  62 and name    C)  1.0  -53.5   20.0 2
assign (resid  63 and name    C) (resid  64 and name    N)
       (resid  64 and name   CA) (resid  64 and name    C)  1.0 -120.0   36.0 2
assign (resid  65 and name    C) (resid  66 and name    N)
       (resid  66 and name   CA) (resid  66 and name    C)  1.0  -59.0   20.0 2
assign (resid  70 and name    C) (resid  71 and name    N)
       (resid  71 and name   CA) (resid  71 and name    C)  1.0 -132.5   21.5 2
assign (resid  71 and name    C) (resid  72 and name    N)
       (resid  72 and name   CA) (resid  72 and name    C)  1.0 -120.0   29.0 2
assign (resid  72 and name    C) (resid  73 and name    N)
       (resid  73 and name   CA) (resid  73 and name    C)  1.0 -132.0   23.0 2
assign (resid  73 and name    C) (resid  74 and name    N)
       (resid  74 and name   CA) (resid  74 and name    C)  1.0  -48.0   20.0 2
assign (resid  74 and name    C) (resid  75 and name    N)
       (resid  75 and name   CA) (resid  75 and name    C)  1.0  -67.0   20.0 2
assign (resid  75 and name    C) (resid  76 and name    N)
       (resid  76 and name   CA) (resid  76 and name    C)  1.0  -68.0   20.0 2
assign (resid  76 and name    C) (resid  77 and name    N)
       (resid  77 and name   CA) (resid  77 and name    C)  1.0  -58.0   20.0 2
assign (resid  78 and name    C) (resid  79 and name    N)
       (resid  79 and name   CA) (resid  79 and name    C)  1.0  -66.0   20.0 2
assign (resid  79 and name    C) (resid  80 and name    N)
       (resid  80 and name   CA) (resid  80 and name    C)  1.0  -63.5   20.0 2
assign (resid  80 and name    C) (resid  81 and name    N)
       (resid  81 and name   CA) (resid  81 and name    C)  1.0  -59.0   20.0 2
assign (resid  81 and name    C) (resid  82 and name    N)
       (resid  82 and name   CA) (resid  82 and name    C)  1.0  -67.0   20.0 2
assign (resid  11 and name    N) (resid  11 and name   CA)
       (resid  11 and name    C) (resid  12 and name    N)  1.0  -30.0  110.0 2
assign (resid  12 and name    N) (resid  12 and name   CA)
       (resid  12 and name    C) (resid  13 and name    N)  1.0  120.0  100.0 2
assign (resid  13 and name    N) (resid  13 and name   CA)
       (resid  13 and name    C) (resid  14 and name    N)  1.0  120.0  100.0 2
assign (resid  14 and name    N) (resid  14 and name   CA)
       (resid  14 and name    C) (resid  15 and name    N)  1.0  -30.0  110.0 2
assign (resid  15 and name    N) (resid  15 and name   CA)
       (resid  15 and name    C) (resid  16 and name    N)  1.0  -30.0  110.0 2
assign (resid  18 and name    N) (resid  18 and name   CA)
       (resid  18 and name    C) (resid  19 and name    N)  1.0  -30.0  110.0 2
assign (resid  20 and name    N) (resid  20 and name   CA)
       (resid  20 and name    C) (resid  21 and name    N)  1.0  -30.0  110.0 2
assign (resid  24 and name    N) (resid  24 and name   CA)
       (resid  24 and name    C) (resid  25 and name    N)  1.0  -30.0  110.0 2
assign (resid  25 and name    N) (resid  25 and name   CA)
       (resid  25 and name    C) (resid  26 and name    N)  1.0  -30.0  110.0 2
assign (resid  26 and name    N) (resid  26 and name   CA)
       (resid  26 and name    C) (resid  27 and name    N)  1.0  -30.0  110.0 2
assign (resid  27 and name    N) (resid  27 and name   CA)
       (resid  27 and name    C) (resid  28 and name    N)  1.0  -30.0  110.0 2
assign (resid  36 and name    N) (resid  36 and name   CA)
       (resid  36 and name    C) (resid  37 and name    N)  1.0  120.0  100.0 2
assign (resid  37 and name    N) (resid  37 and name   CA)
       (resid  37 and name    C) (resid  38 and name    N)  1.0  120.0  100.0 2
assign (resid  46 and name    N) (resid  46 and name   CA)
       (resid  46 and name    C) (resid  47 and name    N)  1.0  -30.0  110.0 2
assign (resid  50 and name    N) (resid  50 and name   CA)
       (resid  50 and name    C) (resid  51 and name    N)  1.0  120.0  100.0 2
assign (resid  54 and name    N) (resid  54 and name   CA)
       (resid  54 and name    C) (resid  55 and name    N)  1.0  -30.0  110.0 2
assign (resid  61 and name    N) (resid  61 and name   CA)
       (resid  61 and name    C) (resid  62 and name    N)  1.0  -30.0  110.0 2
assign (resid  62 and name    N) (resid  62 and name   CA)
       (resid  62 and name    C) (resid  63 and name    N)  1.0  -30.0  110.0 2
assign (resid  63 and name    N) (resid  63 and name   CA)
       (resid  63 and name    C) (resid  64 and name    N)  1.0  -30.0  110.0 2
assign (resid  71 and name    N) (resid  71 and name   CA)
       (resid  71 and name    C) (resid  72 and name    N)  1.0  120.0  100.0 2
assign (resid  72 and name    N) (resid  72 and name   CA)
       (resid  72 and name    C) (resid  73 and name    N)  1.0  120.0  100.0 2
assign (resid  81 and name    N) (resid  81 and name   CA)
       (resid  81 and name    C) (resid  82 and name    N)  1.0  -30.0  110.0 2
assign (resid  83 and name    N) (resid  83 and name   CA)
       (resid  83 and name    C) (resid  84 and name    N)  1.0  -30.0  110.0 2
assign (resid  11 and name    N) (resid  11 and name   CA)
       (resid  11 and name   CB) (resid  11 and name   CG)  1.0  -60.0   60.0 2
assign (resid  12 and name    N) (resid  12 and name   CA)
       (resid  12 and name   CB) (resid  12 and name   CG)  1.0  -60.0   60.0 2
assign (resid  13 and name    N) (resid  13 and name   CA)
       (resid  13 and name   CB) (resid  13 and name  OG1)  1.0   60.0   60.0 2
assign (resid  27 and name    N) (resid  27 and name   CA)
       (resid  27 and name   CB) (resid  27 and name   CG)  1.0  -60.0   60.0 2
assign (resid  36 and name    N) (resid  36 and name   CA)
       (resid  36 and name   CB) (resid  36 and name  CG1)  1.0   60.0   60.0 2
assign (resid  45 and name    N) (resid  45 and name   CA)
       (resid  45 and name   CB) (resid  45 and name   CG)  1.0  -60.0   60.0 2
assign (resid  47 and name    N) (resid  47 and name   CA)
       (resid  47 and name   CB) (resid  47 and name   CG)  1.0  -60.0   60.0 2
assign (resid  50 and name    N) (resid  50 and name   CA)
       (resid  50 and name   CB) (resid  50 and name   CG)  1.0  -60.0   60.0 2
assign (resid  56 and name    N) (resid  56 and name   CA)
       (resid  56 and name   CB) (resid  56 and name   CG)  1.0  -60.0   60.0 2
assign (resid  80 and name    N) (resid  80 and name   CA)
       (resid  80 and name   CB) (resid  80 and name   CG)  1.0  -60.0   60.0 2
assign (resid  81 and name    N) (resid  81 and name   CA)
       (resid  81 and name   CB) (resid  81 and name   CG)  1.0  -60.0   60.0 2
!
! NOE RESTRAINTS
!
class intra
assign (resid  22 and name  HB*) (resid  22 and name   HN)  2.77  1.07  1.07
assign (resid  23 and name   HA) (resid  23 and name  HB*)  2.43  0.73  0.73
assign (resid  23 and name   HA) (resid  23 and name   HN)  2.56  0.86  0.85
assign (resid  23 and name  HB*) (resid  23 and name   HN)  2.59  0.89  0.89
assign (resid  31 and name   HA) (resid  31 and name  HB*)  2.42  0.72  0.73
assign (resid  31 and name   HA) (resid  31 and name   HN)  2.61  0.91  0.91
assign (resid   7 and name   HA) (resid   7 and name  HB*)  2.42  0.72  0.72
assign (resid   7 and name   HA) (resid   7 and name   HN)  2.52  0.82  0.82
assign (resid   7 and name  HB*) (resid   7 and name   HN)  2.54  0.84  0.84
assign (resid   8 and name  HB*) (resid   8 and name   HN)  3.12  1.42  1.42
assign (resid  35 and name   HA) (resid  35 and name  HB*)  3.47  1.77  1.77
assign (resid  35 and name   HA) (resid  35 and name   HN)  3.00  1.30  1.30
assign (resid  35 and name  HB*) (resid  35 and name   HN)  3.27  1.57  1.56
assign (resid  84 and name   HA) (resid  84 and name  HB*)  3.17  1.47  1.47
assign (resid   2 and name  HB*) (resid   2 and name   HA)  3.33  1.63  1.63
assign (resid  25 and name   HA) (resid  25 and name  HB*)  2.71  1.01  1.01
assign (resid  25 and name   HA) (resid  25 and name   HN)  2.67  0.97  0.96
assign (resid  25 and name  HB*) (resid  25 and name   HN)  2.61  0.91  0.92
assign (resid   3 and name   HA) (resid   3 and name  HB*)  2.71  1.01  1.00
assign (resid   3 and name   HA) (resid   3 and name   HN)  3.09  1.39  1.39
assign (resid   3 and name  HB*) (resid   3 and name   HN)  3.16  1.46  1.46
assign (resid  33 and name   HA) (resid  33 and name  HB*)  2.68  0.98  0.98
assign (resid  33 and name  HB*) (resid  33 and name   HN)  2.96  1.26  1.25
assign (resid  62 and name   HA) (resid  62 and name  HB*)  2.69  0.99  1.00
assign (resid  62 and name   HA) (resid  62 and name   HN)  2.67  0.97  0.98
assign (resid  62 and name  HB*) (resid  62 and name   HN)  2.65  0.95  0.95
assign (resid  65 and name   HA) (resid  65 and name  HB*)  2.73  1.03  1.03
assign (resid  65 and name   HA) (resid  65 and name   HN)  2.69  0.99  0.98
assign (resid  65 and name  HB*) (resid  65 and name   HN)  2.60  0.91  0.90
assign (resid  67 and name  HB*) (resid  67 and name   HN)  3.12  1.42  1.42
assign (resid  73 and name   HA) (resid  73 and name  HB*)  2.67  0.97  0.97
assign (resid  73 and name  HB*) (resid  73 and name   HN)  2.60  0.91  0.90
assign (resid  75 and name   HA) (resid  75 and name  HB*)  2.73  1.03  1.02
assign (resid  75 and name  HB*) (resid  75 and name   HN)  2.61  0.91  0.92
assign (resid  87 and name  HB*) (resid  87 and name   HA)  2.66  0.96  0.96
assign (resid  10 and name   HA) (resid  10 and name  HG*)  3.08  1.39  1.38
assign (resid  10 and name  HB*) (resid  10 and name   HN)  3.26  1.56  1.56
assign (resid  10 and name  HG*) (resid  10 and name   HN)  3.06  1.36  1.36
assign (resid  14 and name   HA) (resid  14 and name  HB*)  3.18  1.48  1.48
assign (resid  14 and name   HA) (resid  14 and name  HG*)  3.61  1.91  1.91
assign (resid  14 and name   HA) (resid  14 and name   HN)  2.89  1.19  1.19
assign (resid  14 and name  HG*) (resid  14 and name   HN)  3.44  1.74  1.74
assign (resid  15 and name   HA) (resid  15 and name   HN)  2.81  1.11  1.10
assign (resid  15 and name  HB*) (resid  15 and name   HN)  2.98  1.28  1.27
assign (resid  15 and name  HG*) (resid  15 and name   HN)  3.43  1.73  1.73
assign (resid  15 and name  HG*) (resid  15 and name   HA)  2.99  1.29  1.29
assign (resid  15 and name  HG*) (resid  15 and name  HB*)  2.71  1.01  1.01
assign (resid  19 and name   HA) (resid  19 and name  HB*)  3.10  1.40  1.40
assign (resid  19 and name   HA) (resid  19 and name  HG*)  3.24  1.54  1.54
assign (resid  19 and name   HA) (resid  19 and name   HN)  2.81  1.11  1.10
assign (resid  19 and name  HB*) (resid  19 and name   HN)  2.98  1.28  1.28
assign (resid  19 and name  HG*) (resid  19 and name   HN)  3.29  1.59  1.59
assign (resid  32 and name   HA) (resid  32 and name  HB*)  2.68  0.98  0.98
assign (resid  32 and name   HA) (resid  32 and name  HG*)  3.23  1.53  1.53
assign (resid  32 and name   HA) (resid  32 and name   HN)  2.94  1.24  1.23
assign (resid  32 and name  HB*) (resid  32 and name  HG*)  2.56  0.86  0.87
assign (resid  32 and name  HG*) (resid  32 and name   HN)  3.71  2.00  2.00
assign (resid  40 and name  HB*) (resid  40 and name   HA)  2.85  1.16  1.15
assign (resid  40 and name  HB*) (resid  40 and name  HG*)  2.71  1.01  1.01
assign (resid  40 and name  HB*) (resid  40 and name   HN)  2.88  1.18  1.18
assign (resid  40 and name  HG*) (resid  40 and name   HA)  3.04  1.34  1.34
assign (resid  40 and name  HG*) (resid  40 and name   HN)  2.81  1.11  1.12
assign (resid  55 and name   HA) (resid  55 and name   HN)  2.83  1.14  1.14
assign (resid  55 and name  HB*) (resid  55 and name  HG*)  2.67  0.97  0.96
assign (resid  55 and name  HB*) (resid  55 and name   HN)  2.77  1.07  1.06
assign (resid  55 and name  HG*) (resid  55 and name   HN)  3.33  1.63  1.62
assign (resid  55 and name  HG*) (resid  55 and name   HA)  2.95  1.25  1.25
assign (resid  56 and name   HA) (resid  56 and name  HB1)  2.65  0.95  0.95
assign (resid  56 and name   HA) (resid  56 and name   HN)  2.78  1.08  1.08
assign (resid  56 and name  HB2) (resid  56 and name   HN)  3.21  1.51  1.50
assign (resid  63 and name  HB*) (resid  63 and name   HN)  3.00  1.30  1.30
assign (resid  66 and name   HA) (resid  66 and name  HB*)  3.01  1.31  1.31
assign (resid  66 and name   HA) (resid  66 and name   HN)  2.82  1.12  1.12
assign (resid  66 and name  HB*) (resid  66 and name   HN)  2.98  1.28  1.27
assign (resid  76 and name   HA) (resid  76 and name  HB*)  2.84  1.14  1.14
assign (resid  76 and name   HA) (resid  76 and name  HG*)  2.64  0.94  0.94
assign (resid  76 and name  HB*) (resid  76 and name   HN)  2.85  1.16  1.15
assign (resid  76 and name  HB*) (resid  76 and name  HG*)  2.75  1.05  1.05
assign (resid  20 and name   HA) (resid  20 and name  HB*)  2.75  1.05  1.04
assign (resid  20 and name  HB*) (resid  20 and name   HN)  2.69  0.99  0.98
assign (resid  24 and name   HA) (resid  24 and name  HB*)  2.69  0.99  1.00
assign (resid  24 and name   HA) (resid  24 and name   HN)  2.67  0.97  0.96
assign (resid  24 and name  HB*) (resid  24 and name   HN)  2.58  0.88  0.88
assign (resid  27 and name   HA) (resid  27 and name  HB2)  2.81  1.11  1.11
assign (resid  27 and name   HA) (resid  27 and name  HB1)  2.66  0.96  0.96
assign (resid  27 and name   HA) (resid  27 and name   HN)  2.73  1.03  1.04
assign (resid  27 and name  HB2) (resid  27 and name  HB1)  2.31  0.61  0.62
assign (resid  27 and name  HB2) (resid  27 and name   HN)  2.58  0.89  0.89
assign (resid  27 and name  HB1) (resid  27 and name   HN)  2.81  1.11  1.11
assign (resid  74 and name   HA) (resid  74 and name  HB*)  2.75  1.05  1.06
assign (resid  74 and name   HA) (resid  74 and name   HN)  2.67  0.97  0.97
assign (resid  74 and name  HB*) (resid  74 and name   HN)  2.48  0.78  0.78
assign (resid  77 and name   HA) (resid  77 and name  HB*)  2.68  0.98  0.98
assign (resid  77 and name   HA) (resid  77 and name   HN)  2.78  1.08  1.08
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assign (resid  26 and name   HA) (resid  26 and name HG1*)  2.63  0.93  0.93
assign (resid  26 and name   HA) (resid  26 and name HG2*)  2.63  0.93  0.94
assign (resid  26 and name   HA) (resid  26 and name   HN)  2.54  0.84  0.83
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assign (resid  26 and name   HB) (resid  26 and name HG2*)  2.56  0.86  0.87
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assign (resid  26 and name HD1*) (resid  26 and name   HN)  3.07  1.37  1.37
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assign (resid  26 and name HG1*) (resid  26 and name   HN)  2.58  0.88  0.88
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assign (resid  36 and name   HA) (resid  36 and name HG2*)  2.75  1.05  1.05
assign (resid  36 and name   HA) (resid  36 and name   HN)  2.79  1.09  1.09
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assign (resid  36 and name HD1*) (resid  36 and name HG1*)  2.85  1.15  1.15
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assign (resid  36 and name HG1*) (resid  36 and name   HN)  2.71  1.01  1.02
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assign (resid   4 and name   HA) (resid   4 and name   HN)  2.75  1.05  1.04
assign (resid   4 and name   HB) (resid   4 and name HD1*)  3.48  1.78  1.78
assign (resid   4 and name   HB) (resid   4 and name HG1*)  2.79  1.09  1.08
assign (resid   4 and name   HB) (resid   4 and name HG2*)  2.85  1.16  1.15
assign (resid   4 and name   HB) (resid   4 and name   HN)  2.71  1.01  1.02
assign (resid   4 and name HD1*) (resid   4 and name   HN)  3.81  2.11  2.11
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assign (resid   4 and name HG2*) (resid   4 and name   HN)  2.74  1.04  1.04
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assign (resid  61 and name   HB) (resid  61 and name   HA)  2.71  1.01  1.01
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assign (resid  61 and name   HB) (resid  61 and name HG1*)  2.75  1.05  1.06
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assign (resid  61 and name HG1*) (resid  61 and name HG2*)  2.81  1.11  1.11
assign (resid  61 and name HG1*) (resid  61 and name   HN)  2.57  0.87  0.87
assign (resid  61 and name HG2*) (resid  61 and name   HA)  2.54  0.84  0.85
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assign (resid  17 and name  HB*) (resid  17 and name  HE*)  3.45  1.75  1.75
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assign (resid  17 and name  HB*) (resid  17 and name   HA)  2.67  0.97  0.97
assign (resid  17 and name  HB*) (resid  17 and name   HN)  2.65  0.95  0.96
assign (resid  17 and name  HG*) (resid  17 and name   HN)  3.48  1.78  1.78
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assign (resid  21 and name   HA) (resid  21 and name   HN)  2.67  0.97  0.96
assign (resid  21 and name  HB*) (resid  21 and name  HG*)  2.92  1.22  1.21
assign (resid  21 and name  HB*) (resid  21 and name   HN)  2.52  0.82  0.82
assign (resid  21 and name  HD*) (resid  21 and name  HE*)  2.73  1.03  1.04
assign (resid  21 and name  HD*) (resid  21 and name  HG*)  2.75  1.05  1.04
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assign (resid  39 and name   HA) (resid  39 and name  HG*)  3.53  1.83  1.83
assign (resid  39 and name   HA) (resid  39 and name   HN)  3.12  1.43  1.42
assign (resid  39 and name  HB*) (resid  39 and name  HG*)  3.35  1.66  1.65
assign (resid  39 and name  HB*) (resid  39 and name   HN)  3.14  1.44  1.44
assign (resid  39 and name  HE*) (resid  39 and name  HG*)  3.75  2.05  2.05
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assign (resid  43 and name   HA) (resid  43 and name   HN)  2.81  1.11  1.11
assign (resid  43 and name  HB*) (resid  43 and name   HA)  3.54  1.84  1.84
assign (resid  43 and name  HB*) (resid  43 and name  HD*)  3.62  1.92  1.92
assign (resid  43 and name  HB*) (resid  43 and name  HG*)  3.85  2.15  2.15
assign (resid  43 and name  HB*) (resid  43 and name   HN)  3.50  1.80  1.80
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assign (resid  86 and name   HA) (resid  86 and name   HN)  2.99  1.29  1.29
assign (resid  86 and name  HB*) (resid  86 and name   HA)  3.54  1.84  1.84
assign (resid  86 and name  HG*) (resid  86 and name   HN)  3.85  2.15  2.15
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assign (resid  12 and name   HA) (resid  12 and name HD2*)  2.52  0.82  0.81
assign (resid  12 and name   HA) (resid  12 and name   HN)  2.66  0.96  0.96
assign (resid  12 and name  HB1) (resid  12 and name  HB2)  2.23  0.53  0.53
assign (resid  12 and name  HB1) (resid  12 and name HD2*)  2.96  1.26  1.26
assign (resid  12 and name  HB1) (resid  12 and name   HN)  2.63  0.93  0.94
assign (resid  12 and name  HB2) (resid  12 and name   HA)  2.77  1.07  1.06
assign (resid  12 and name  HB2) (resid  12 and name HD1*)  2.74  1.04  1.04
assign (resid  12 and name  HB2) (resid  12 and name   HN)  2.48  0.78  0.77
assign (resid  12 and name HD2*) (resid  12 and name  HB2)  2.77  1.07  1.06
assign (resid  12 and name HD2*) (resid  12 and name   HG)  2.44  0.74  0.75
assign (resid  12 and name HD2*) (resid  12 and name   HN)  3.02  1.32  1.31
assign (resid  12 and name HD1*) (resid  12 and name   HA)  3.52  1.82  1.82
assign (resid  12 and name HD1*) (resid  12 and name  HB1)  2.60  0.90  0.90
assign (resid  12 and name HD1*) (resid  12 and name   HG)  2.48  0.78  0.79
assign (resid  12 and name HD1*) (resid  12 and name   HN)  3.08  1.38  1.38
assign (resid  12 and name   HG) (resid  12 and name  HB1)  2.74  1.04  1.04
assign (resid  12 and name   HG) (resid  12 and name   HN)  2.41  0.71  0.71
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assign (resid  29 and name   HA) (resid  29 and name   HN)  2.63  0.93  0.93
assign (resid  29 and name  HB*) (resid  29 and name   HN)  2.77  1.07  1.07
assign (resid  29 and name HD1*) (resid  29 and name   HA)  3.85  2.15  2.15
assign (resid  29 and name   HG) (resid  29 and name   HA)  3.65  1.95  1.95
assign (resid  29 and name   HG) (resid  29 and name   HN)  3.11  1.41  1.41
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assign (resid  41 and name   HA) (resid  41 and name   HN)  2.71  1.01  1.02
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assign (resid  41 and name   HG) (resid  41 and name   HN)  3.58  1.88  1.88
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assign (resid  48 and name  HB*) (resid  48 and name   HN)  3.40  1.70  1.70
assign (resid  48 and name HD1*) (resid  48 and name   HA)  3.85  2.15  2.15
assign (resid  48 and name HD1*) (resid  48 and name   HN)  3.77  2.08  2.07
assign (resid  48 and name HD2*) (resid  48 and name   HA)  3.22  1.52  1.52
assign (resid  48 and name HD2*) (resid  48 and name   HN)  3.85  2.15  2.15
assign (resid  48 and name   HG) (resid  48 and name   HN)  3.60  1.90  1.90
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assign (resid  57 and name   HA) (resid  57 and name   HN)  2.77  1.07  1.08
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assign (resid  57 and name  HB*) (resid  57 and name   HN)  2.67  0.97  0.96
assign (resid  57 and name   HG) (resid  57 and name   HA)  3.85  2.15  2.15
assign (resid  57 and name   HG) (resid  57 and name   HN)  3.75  2.05  2.05
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assign (resid  78 and name   HA) (resid  78 and name   HN)  2.60  0.90  0.90
assign (resid  78 and name  HB*) (resid  78 and name   HN)  2.65  0.95  0.95
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assign (resid  78 and name  HD*) (resid  78 and name  HB*)  3.73  2.03  2.02
assign (resid  78 and name  HD*) (resid  78 and name   HN)  3.85  2.15  2.15
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assign (resid   1 and name   HA) (resid   1 and name  HG*)  3.68  1.98  1.98
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assign (resid  45 and name  HB1) (resid  45 and name   HA)  2.71  1.01  1.00
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assign (resid  45 and name  HB2) (resid  45 and name   HA)  2.71  1.01  1.01
assign (resid  45 and name  HB2) (resid  45 and name  HG*)  2.82  1.12  1.12
assign (resid  45 and name  HB2) (resid  45 and name   HN)  2.68  0.98  0.98
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assign (resid  45 and name  HE*) (resid  45 and name   HN)  3.85  2.15  2.15
assign (resid  45 and name  HG*) (resid  45 and name   HN)  2.69  0.99  1.00
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assign (resid  47 and name   HA) (resid  47 and name  HG*)  2.72  1.02  1.02
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assign (resid  47 and name  HB1) (resid  47 and name  HG*)  2.74  1.04  1.04
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assign (resid  16 and name   HA) (resid  16 and name   HN)  2.67  0.97  0.98
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assign (resid  83 and name   HA) (resid  83 and name  HG*)  3.56  1.86  1.86
assign (resid  83 and name  HB*) (resid  83 and name  HG*)  2.73  1.03  1.02
assign (resid  83 and name  HD*) (resid  83 and name  HB*)  3.85  2.15  2.15
assign (resid  83 and name  HD*) (resid  83 and name  HG*)  3.74  2.04  2.04
assign (resid  37 and name   HA) (resid  37 and name  HB*)  2.75  1.05  1.05
assign (resid  37 and name  HB*) (resid  37 and name   HN)  2.52  0.82  0.81
assign (resid  69 and name   HA) (resid  69 and name   HN)  2.91  1.21  1.21
assign (resid  69 and name  HB*) (resid  69 and name   HA)  3.06  1.36  1.35
assign (resid  69 and name  HB*) (resid  69 and name   HN)  3.25  1.55  1.55
assign (resid  13 and name   HA) (resid  13 and name   HB)  2.65  0.95  0.94
assign (resid  13 and name   HA) (resid  13 and name HG2*)  3.10  1.40  1.40
assign (resid  13 and name   HA) (resid  13 and name   HN)  2.83  1.13  1.12
assign (resid  13 and name   HB) (resid  13 and name HG2*)  3.03  1.33  1.33
assign (resid  13 and name HG2*) (resid  13 and name  HG1)  3.85  2.15  2.15
assign (resid  13 and name HG2*) (resid  13 and name   HN)  2.97  1.27  1.27
assign (resid  38 and name   HA) (resid  38 and name   HB)  2.65  0.95  0.95
assign (resid  38 and name   HA) (resid  38 and name HG2*)  2.69  0.99  0.99
assign (resid  38 and name   HA) (resid  38 and name   HN)  2.75  1.05  1.05
assign (resid  38 and name   HB) (resid  38 and name HG2*)  2.69  0.99  1.00
assign (resid  38 and name   HB) (resid  38 and name   HN)  3.22  1.52  1.52
assign (resid  38 and name HG2*) (resid  38 and name   HN)  2.50  0.80  0.80
assign (resid  53 and name HG2*) (resid  53 and name   HA)  3.40  1.70  1.69
assign (resid  53 and name HG2*) (resid  53 and name   HN)  2.98  1.28  1.27
assign (resid  71 and name   HA) (resid  71 and name   HB)  2.65  0.95  0.95
assign (resid  71 and name   HA) (resid  71 and name   HN)  2.83  1.13  1.13
assign (resid  71 and name   HB) (resid  71 and name HG2*)  2.81  1.11  1.11
assign (resid  71 and name   HB) (resid  71 and name   HN)  3.54  1.84  1.84
assign (resid  71 and name HG2*) (resid  71 and name   HA)  3.52  1.82  1.81
assign (resid  28 and name   HA) (resid  28 and name   HB)  2.66  0.96  0.96
assign (resid  28 and name   HA) (resid  28 and name  HG*)  2.60  0.90  0.90
assign (resid  28 and name   HA) (resid  28 and name   HN)  2.67  0.97  0.98
assign (resid  28 and name   HB) (resid  28 and name  HG*)  2.43  0.73  0.73
assign (resid  28 and name   HB) (resid  28 and name   HN)  2.40  0.70  0.70
assign (resid  28 and name  HG*) (resid  28 and name   HN)  2.63  0.93  0.94
assign (resid  44 and name   HA) (resid  44 and name   HB)  2.67  0.97  0.96
assign (resid  44 and name   HA) (resid  44 and name HG2*)  2.63  0.93  0.93
assign (resid  44 and name   HA) (resid  44 and name HG1*)  2.64  0.94  0.94
assign (resid  44 and name   HA) (resid  44 and name   HN)  2.54  0.84  0.83
assign (resid  44 and name   HB) (resid  44 and name HG2*)  2.68  0.98  0.98
assign (resid  44 and name   HB) (resid  44 and name HG1*)  2.68  0.98  0.98
assign (resid  44 and name   HB) (resid  44 and name   HN)  2.54  0.84  0.85
assign (resid  44 and name HG2*) (resid  44 and name   HN)  2.59  0.89  0.89
assign (resid  44 and name HG1*) (resid  44 and name   HN)  3.02  1.32  1.32
assign (resid  64 and name   HA) (resid  64 and name   HB)  2.65  0.95  0.94
assign (resid  64 and name   HA) (resid  64 and name  HG*)  2.67  0.97  0.96
assign (resid  64 and name   HA) (resid  64 and name   HN)  2.73  1.03  1.02
assign (resid  64 and name   HB) (resid  64 and name  HG*)  2.42  0.72  0.73
assign (resid  64 and name   HB) (resid  64 and name   HN)  2.39  0.69  0.69
assign (resid  64 and name  HG*) (resid  64 and name   HN)  2.58  0.88  0.88
assign (resid  72 and name   HA) (resid  72 and name   HB)  2.67  0.97  0.96
assign (resid  72 and name   HA) (resid  72 and name HG2*)  2.96  1.26  1.25
assign (resid  72 and name   HA) (resid  72 and name HG1*)  2.70  1.00  1.00
assign (resid  72 and name   HB) (resid  72 and name HG2*)  2.69  0.99  0.99
assign (resid  72 and name   HB) (resid  72 and name HG1*)  2.70  1.00  1.00
assign (resid  72 and name   HB) (resid  72 and name   HN)  2.71  1.01  1.01
assign (resid  72 and name HG2*) (resid  72 and name   HN)  2.65  0.95  0.94
assign (resid  72 and name HG1*) (resid  72 and name   HN)  2.62  0.93  0.92
assign (resid  79 and name   HA) (resid  79 and name HG1*)  3.00  1.30  1.30
assign (resid  79 and name   HA) (resid  79 and name HG2*)  3.17  1.47  1.47
assign (resid  79 and name   HB) (resid  79 and name HG1*)  2.45  0.75  0.75
assign (resid  79 and name HG1*) (resid  79 and name HG2*)  2.52  0.82  0.83
assign (resid  82 and name   HA) (resid  82 and name   HB)  2.65  0.95  0.95
assign (resid  82 and name   HA) (resid  82 and name  HG*)  3.24  1.54  1.54
assign (resid  82 and name   HA) (resid  82 and name   HN)  2.67  0.97  0.98
assign (resid  82 and name   HB) (resid  82 and name   HN)  2.87  1.17  1.17
assign (resid   9 and name   HA) (resid   9 and name   HB)  2.67  0.97  0.96
assign (resid   9 and name   HA) (resid   9 and name   HN)  2.65  0.95  0.94
assign (resid   9 and name   HB) (resid   9 and name   HN)  2.42  0.72  0.71
assign (resid   9 and name  HG*) (resid   9 and name   HA)  3.44  1.74  1.74
assign (resid   9 and name  HG*) (resid   9 and name   HN)  3.41  1.71  1.71
assign (resid   5 and name   HA) (resid   5 and name  HB*)  2.74  1.04  1.04
assign (resid   5 and name  HB*) (resid   5 and name   HN)  2.79  1.09  1.10
assign (resid  20 and name   HA) (resid  20 and name  HD*)  3.60  1.90  1.90
assign (resid  20 and name  HD*) (resid  20 and name  HB*)  3.85  2.15  2.15
assign (resid  24 and name   HA) (resid  24 and name  HD*)  3.85  2.15  2.15
assign (resid  24 and name  HB*) (resid  24 and name  HD*)  3.81  2.11  2.11
assign (resid  24 and name  HD*) (resid  24 and name  HE*)  3.85  2.15  2.15
assign (resid  27 and name   HA) (resid  27 and name  HE*)  3.85  2.15  2.15
assign (resid  27 and name  HB2) (resid  27 and name  HD*)  3.79  2.08  2.08
assign (resid  27 and name  HB2) (resid  27 and name  HE*)  3.85  2.15  2.15
assign (resid  27 and name  HB1) (resid  27 and name  HD*)  3.73  2.04  2.03
assign (resid  27 and name  HB1) (resid  27 and name  HE*)  3.85  2.15  2.15
assign (resid  74 and name   HA) (resid  74 and name  HD*)  3.54  1.84  1.84
assign (resid  74 and name  HB*) (resid  74 and name  HD*)  3.80  2.10  2.10
assign (resid  77 and name   HA) (resid  77 and name  HD*)  3.70  2.00  2.00
assign (resid  77 and name  HB*) (resid  77 and name  HD*)  3.85  2.15  2.15
assign (resid  77 and name  HB*) (resid  77 and name  HE*)  3.85  2.15  2.15
assign (resid   5 and name  HB*) (resid   5 and name  HD*)  3.79  2.09  2.09
assign (resid   5 and name  HD*) (resid   5 and name   HA)  3.75  2.04  2.04
assign (resid   5 and name   HN) (resid   5 and name  HE*)  3.85  2.15  2.15
assign (resid   5 and name   HN) (resid   5 and name  HD*)  3.12  1.42  1.42
assign (resid  11 and name   HN) (resid  11 and name  HB2)  2.47  0.77  0.77
assign (resid  13 and name   HN) (resid  13 and name   HB)  3.04  1.34  1.33
assign (resid  13 and name   HN) (resid  13 and name  HG1)  3.45  1.75  1.75
assign (resid  18 and name   HN) (resid  18 and name HD22)  3.61  1.91  1.91
assign (resid  18 and name   HN) (resid  18 and name HD21)  3.74  2.04  2.04
assign (resid  20 and name   HN) (resid  20 and name  HD*)  2.85  1.15  1.15
assign (resid  20 and name   HN) (resid  20 and name   HA)  3.00  1.30  1.30
assign (resid  21 and name   HN) (resid  21 and name  HG*)  3.12  1.42  1.42
assign (resid  21 and name   HN) (resid  21 and name  HD*)  3.32  1.62  1.62
assign (resid  24 and name   HN) (resid  24 and name  HD*)  3.14  1.44  1.44
assign (resid  26 and name   HN) (resid  26 and name   HB)  2.42  0.72  0.71
assign (resid  26 and name   HN) (resid  26 and name HG2*)  3.35  1.65  1.65
assign (resid  31 and name   HN) (resid  31 and name  HB*)  2.56  0.86  0.86
assign (resid  32 and name   HN) (resid  32 and name  HB*)  3.18  1.48  1.48
assign (resid  33 and name   HN) (resid  33 and name   HA)  2.61  0.91  0.91
assign (resid  36 and name   HN) (resid  36 and name HD1*)  3.69  1.99  1.98
assign (resid  37 and name   HN) (resid  37 and name   HA)  2.61  0.91  0.92
assign (resid  39 and name   HN) (resid  39 and name  HE*)  3.75  2.05  2.05
assign (resid  40 and name   HN) (resid  40 and name   HA)  2.61  0.91  0.92
assign (resid  43 and name   HN) (resid  43 and name  HD*)  2.83  1.13  1.13
assign (resid  43 and name   HN) (resid  43 and name  HG*)  3.25  1.55  1.55
assign (resid  47 and name   HN) (resid  47 and name  HE*)  3.85  2.15  2.15
assign (resid  48 and name   HN) (resid  48 and name   HA)  2.61  0.91  0.91
assign (resid  51 and name   HN) (resid  51 and name HD22)  3.55  1.85  1.85
assign (resid  53 and name   HN) (resid  53 and name   HA)  2.61  0.91  0.92
assign (resid  56 and name   HN) (resid  56 and name  HB1)  2.86  1.16  1.16
assign (resid  57 and name   HN) (resid  57 and name  HD*)  3.54  1.84  1.83
assign (resid  63 and name   HN) (resid  63 and name   HA)  2.61  0.91  0.92
assign (resid  63 and name   HN) (resid  63 and name  HG*)  2.83  1.13  1.12
assign (resid  67 and name   HN) (resid  67 and name   HA)  2.61  0.91  0.91
assign (resid  68 and name   HN) (resid  68 and name  HA*)  2.88  1.18  1.18
assign (resid  70 and name   HN) (resid  70 and name  HA*)  2.63  0.93  0.93
assign (resid  72 and name   HN) (resid  72 and name   HA)  2.61  0.91  0.92
assign (resid  73 and name   HN) (resid  73 and name   HA)  2.62  0.92  0.92
assign (resid  74 and name   HN) (resid  74 and name  HD*)  3.14  1.44  1.44
assign (resid  76 and name   HN) (resid  76 and name  HG*)  2.48  0.78  0.77
assign (resid  76 and name   HN) (resid  76 and name   HA)  2.61  0.91  0.92
assign (resid  77 and name   HN) (resid  77 and name  HB*)  2.40  0.70  0.71
assign (resid  77 and name   HN) (resid  77 and name  HD*)  3.20  1.50  1.50
assign (resid  79 and name   HN) (resid  79 and name HG1*)  3.44  1.74  1.73
assign (resid  79 and name   HN) (resid  79 and name   HB)  2.58  0.88  0.88
assign (resid  79 and name   HN) (resid  79 and name HG2*)  2.84  1.14  1.14
assign (resid  80 and name   HN) (resid  80 and name  HB2)  2.54  0.84  0.83
assign (resid  81 and name   HN) (resid  81 and name  HB2)  2.55  0.85  0.85
assign (resid  82 and name   HN) (resid  82 and name  HG*)  2.83  1.14  1.14
assign (resid  83 and name   HN) (resid  83 and name   HA)  2.61  0.91  0.91
assign (resid  84 and name   HN) (resid  84 and name  HB*)  2.64  0.94  0.94
assign (resid  84 and name   HN) (resid  84 and name   HA)  2.61  0.91  0.92
assign (resid  11 and name HE22) (resid  11 and name  HG*)  3.85  2.15  2.15
assign (resid  11 and name HE21) (resid  11 and name  HB2)  3.14  1.44  1.44
assign (resid  11 and name HE22) (resid  11 and name  HB2)  3.44  1.74  1.73
assign (resid  11 and name HE21) (resid  11 and name  HG*)  3.85  2.15  2.15
assign (resid  11 and name HE21) (resid  11 and name HE22)  2.12  0.42  0.42
assign (resid  16 and name HE22) (resid  16 and name HE21)  2.12  0.42  0.42
assign (resid  18 and name HD21) (resid  18 and name   HA)  3.85  2.15  2.15
assign (resid  18 and name HD21) (resid  18 and name HD22)  2.12  0.42  0.42
assign (resid  18 and name HD21) (resid  18 and name  HB*)  3.26  1.56  1.56
assign (resid  18 and name HD22) (resid  18 and name   HA)  3.85  2.15  2.15
assign (resid  18 and name HD22) (resid  18 and name  HB*)  3.10  1.40  1.40
assign (resid  50 and name HE22) (resid  50 and name HE21)  2.12  0.42  0.42
assign (resid  50 and name HE21) (resid  50 and name   HA)  3.72  2.02  2.02
assign (resid  50 and name HE22) (resid  50 and name   HA)  3.79  2.09  2.09
assign (resid  51 and name HD21) (resid  51 and name HD22)  2.12  0.42  0.42
assign (resid  51 and name HD22) (resid  51 and name  HB*)  3.23  1.53  1.52
assign (resid  58 and name HE21) (resid  58 and name HE22)  2.12  0.42  0.42
assign (resid  58 and name HE21) (resid  58 and name   HA)  3.60  1.90  1.90
assign (resid  58 and name HE22) (resid  58 and name   HA)  3.54  1.84  1.83
class sequ
assign (resid  22 and name  HB*) (resid  23 and name   HN)  3.21  1.51  1.50
assign (resid  23 and name  HB*) (resid  24 and name   HN)  2.75  1.05  1.04
assign (resid  31 and name   HA) (resid  32 and name   HN)  2.36  0.66  0.67
assign (resid  31 and name  HB*) (resid  32 and name   HN)  3.52  1.82  1.82
assign (resid   7 and name  HB*) (resid   8 and name   HN)  3.08  1.38  1.38
assign (resid   7 and name  HB*) (resid   6 and name   HN)  3.54  1.84  1.83
assign (resid   8 and name  HB*) (resid   9 and name   HN)  3.33  1.63  1.63
assign (resid  35 and name   HA) (resid  36 and name   HN)  2.97  1.27  1.27
assign (resid  35 and name  HB*) (resid  36 and name   HN)  3.23  1.53  1.52
assign (resid  25 and name   HA) (resid  26 and name   HN)  3.12  1.43  1.42
assign (resid  25 and name  HB*) (resid  26 and name   HN)  3.05  1.35  1.35
assign (resid   3 and name   HA) (resid   4 and name   HN)  2.62  0.93  0.92
assign (resid  62 and name   HA) (resid  63 and name   HN)  3.02  1.32  1.31
assign (resid  62 and name   HA) (resid  61 and name HG2*)  3.72  2.02  2.02
assign (resid  62 and name  HB*) (resid  63 and name   HN)  2.95  1.25  1.25
assign (resid  65 and name   HA) (resid  66 and name   HN)  2.46  0.76  0.75
assign (resid  65 and name   HA) (resid  64 and name  HG*)  3.64  1.94  1.94
assign (resid  73 and name   HA) (resid  74 and name   HN)  2.64  0.94  0.94
assign (resid  73 and name  HB*) (resid  74 and name   HN)  2.37  0.67  0.67
assign (resid  75 and name   HA) (resid  76 and name   HN)  3.27  1.57  1.56
assign (resid  10 and name   HA) (resid   9 and name  HG*)  3.85  2.15  2.15
assign (resid  14 and name   HA) (resid  15 and name   HN)  3.35  1.65  1.65
assign (resid  15 and name   HA) (resid  16 and name   HN)  3.23  1.53  1.52
assign (resid  15 and name  HB*) (resid  16 and name   HN)  3.48  1.78  1.78
assign (resid  19 and name   HA) (resid  20 and name   HN)  3.33  1.63  1.63
assign (resid  19 and name  HB*) (resid  20 and name   HN)  3.29  1.59  1.58
assign (resid  32 and name   HA) (resid  33 and name   HN)  2.67  0.97  0.96
assign (resid  32 and name  HB*) (resid  33 and name   HN)  3.10  1.41  1.40
assign (resid  32 and name  HG*) (resid  33 and name   HN)  3.68  1.98  1.98
assign (resid  56 and name   HA) (resid  57 and name   HN)  3.23  1.53  1.52
assign (resid  56 and name  HB1) (resid  57 and name   HN)  3.75  2.04  2.04
assign (resid  56 and name  HB2) (resid  57 and name   HN)  3.52  1.82  1.82
assign (resid  63 and name   HA) (resid  64 and name   HN)  3.20  1.50  1.50
assign (resid  63 and name  HB*) (resid  64 and name  HG*)  3.85  2.15  2.15
assign (resid  63 and name  HB*) (resid  64 and name   HN)  3.79  2.09  2.09
assign (resid  66 and name   HA) (resid  67 and name   HN)  3.16  1.46  1.46
assign (resid  66 and name  HB*) (resid  67 and name   HN)  3.39  1.69  1.69
assign (resid  76 and name   HA) (resid  77 and name   HN)  2.97  1.27  1.27
assign (resid  20 and name  HB*) (resid  21 and name   HN)  2.79  1.09  1.10
assign (resid  24 and name   HA) (resid  25 and name   HN)  3.06  1.36  1.36
assign (resid  24 and name  HB*) (resid  25 and name   HN)  2.80  1.10  1.10
assign (resid  27 and name   HA) (resid  26 and name HG2*)  3.55  1.85  1.85
assign (resid  74 and name  HB*) (resid  75 and name   HN)  2.94  1.24  1.23
assign (resid  77 and name   HA) (resid  78 and name   HN)  3.25  1.55  1.54
assign (resid  30 and name  HA*) (resid  31 and name   HN)  2.37  0.67  0.67
assign (resid  34 and name  HA*) (resid  35 and name   HN)  2.40  0.70  0.69
assign (resid  42 and name  HA*) (resid  43 and name   HN)  2.65  0.95  0.96
assign (resid  49 and name  HA*) (resid  50 and name   HN)  2.58  0.88  0.88
assign (resid  70 and name  HA*) (resid  71 and name   HN)  3.06  1.36  1.36
assign (resid  26 and name   HA) (resid  27 and name   HN)  2.95  1.25  1.25
assign (resid  26 and name   HB) (resid  27 and name   HN)  2.76  1.06  1.06
assign (resid  26 and name HG2*) (resid  27 and name   HN)  3.52  1.82  1.82
assign (resid  36 and name   HB) (resid  37 and name   HN)  2.57  0.87  0.87
assign (resid   4 and name   HA) (resid   5 and name   HN)  3.05  1.35  1.35
assign (resid   4 and name   HB) (resid   5 and name   HN)  3.13  1.43  1.43
assign (resid   4 and name HG1*) (resid   5 and name   HN)  2.91  1.21  1.21
assign (resid   4 and name HG2*) (resid   5 and name   HN)  3.08  1.39  1.38
assign (resid  61 and name   HA) (resid  62 and name   HN)  3.33  1.63  1.63
assign (resid  61 and name   HB) (resid  62 and name   HN)  2.51  0.81  0.81
assign (resid  61 and name HG2*) (resid  62 and name   HN)  3.12  1.42  1.42
assign (resid  17 and name   HA) (resid  18 and name   HN)  3.54  1.84  1.83
assign (resid  17 and name  HB*) (resid  18 and name   HN)  2.88  1.18  1.17
assign (resid  21 and name   HA) (resid  22 and name   HN)  3.06  1.36  1.36
assign (resid  21 and name  HB*) (resid  22 and name   HN)  2.93  1.23  1.23
assign (resid  39 and name   HA) (resid  40 and name   HN)  3.61  1.91  1.91
assign (resid  43 and name   HA) (resid  44 and name   HN)  3.27  1.57  1.57
assign (resid  43 and name  HB*) (resid  44 and name   HN)  3.85  2.15  2.15
assign (resid   6 and name  HB*) (resid   7 and name   HN)  3.16  1.46  1.46
assign (resid  12 and name   HA) (resid  13 and name   HN)  2.29  0.59  0.59
assign (resid  12 and name  HB1) (resid  13 and name   HN)  2.84  1.14  1.14
assign (resid  12 and name HD2*) (resid  13 and name   HN)  3.12  1.42  1.42
assign (resid  29 and name   HA) (resid  30 and name   HN)  2.85  1.15  1.15
assign (resid  29 and name   HA) (resid  28 and name  HG*)  3.77  2.07  2.06
assign (resid  41 and name  HB*) (resid  42 and name   HN)  3.62  1.93  1.92
assign (resid  57 and name   HA) (resid  58 and name   HN)  3.33  1.63  1.62
assign (resid  57 and name  HB*) (resid  58 and name   HN)  2.83  1.13  1.13
assign (resid  78 and name   HA) (resid  79 and name   HN)  3.00  1.30  1.29
assign (resid  78 and name  HB*) (resid  79 and name   HN)  2.92  1.22  1.22
assign (resid  45 and name   HA) (resid  44 and name HG1*)  3.85  2.15  2.15
assign (resid  45 and name  HB1) (resid  46 and name   HN)  2.86  1.16  1.16
assign (resid  45 and name  HB2) (resid  46 and name   HN)  2.67  0.97  0.96
assign (resid  47 and name   HA) (resid  48 and name   HN)  2.97  1.27  1.27
assign (resid  47 and name  HB1) (resid  48 and name   HN)  3.35  1.65  1.65
assign (resid  47 and name  HB2) (resid  48 and name   HN)  3.35  1.65  1.65
assign (resid  60 and name   HA) (resid  61 and name   HN)  3.53  1.83  1.83
assign (resid  60 and name  HB*) (resid  61 and name   HN)  2.91  1.21  1.21
assign (resid  80 and name   HA) (resid  79 and name HG1*)  3.85  2.15  2.15
assign (resid  85 and name   HA) (resid  86 and name   HN)  2.64  0.94  0.94
assign (resid  18 and name  HB*) (resid  19 and name   HN)  2.88  1.18  1.18
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assign (resid  52 and name  HB*) (resid  53 and name   HN)  3.15  1.45  1.45
assign (resid  52 and name  HD*) (resid  51 and name   HN)  2.85  1.15  1.15
assign (resid  54 and name   HA) (resid  55 and name   HN)  3.24  1.54  1.54
assign (resid  54 and name  HB*) (resid  55 and name   HN)  3.14  1.44  1.44
assign (resid  54 and name  HD*) (resid  55 and name   HN)  3.39  1.69  1.69
assign (resid  54 and name  HD*) (resid  53 and name   HA)  2.98  1.28  1.27
assign (resid  54 and name  HD*) (resid  53 and name   HB)  3.09  1.39  1.39
assign (resid  54 and name  HD*) (resid  53 and name HG2*)  3.85  2.15  2.15
assign (resid  54 and name  HG*) (resid  55 and name   HN)  3.44  1.74  1.73
assign (resid  11 and name   HA) (resid  12 and name   HN)  2.87  1.17  1.17
assign (resid  16 and name  HB*) (resid  17 and name   HN)  2.97  1.27  1.27
assign (resid  50 and name   HA) (resid  51 and name   HN)  2.31  0.61  0.61
assign (resid  58 and name  HB*) (resid  59 and name   HN)  2.77  1.07  1.08
assign (resid  58 and name  HG*) (resid  59 and name   HN)  3.85  2.15  2.15
assign (resid  37 and name   HA) (resid  38 and name   HN)  2.35  0.65  0.65
assign (resid  37 and name  HB*) (resid  38 and name   HN)  3.08  1.38  1.38
assign (resid  69 and name   HA) (resid  70 and name   HN)  3.31  1.61  1.60
assign (resid  13 and name   HA) (resid  14 and name  HB*)  3.85  2.15  2.15
assign (resid  13 and name   HA) (resid  14 and name   HN)  2.48  0.78  0.77
assign (resid  13 and name HG2*) (resid  12 and name   HA)  3.85  2.15  2.15
assign (resid  38 and name   HA) (resid  39 and name   HN)  3.13  1.43  1.43
assign (resid  38 and name HG2*) (resid  37 and name   HA)  3.36  1.66  1.66
assign (resid  71 and name   HA) (resid  72 and name HG2*)  3.41  1.71  1.71
assign (resid  71 and name   HB) (resid  72 and name   HN)  2.58  0.88  0.88
assign (resid  71 and name HG2*) (resid  72 and name   HN)  3.85  2.15  2.15
assign (resid  28 and name   HA) (resid  29 and name   HN)  2.42  0.72  0.73
assign (resid  28 and name   HB) (resid  29 and name   HN)  2.81  1.11  1.12
assign (resid  44 and name   HA) (resid  45 and name   HN)  2.89  1.19  1.19
assign (resid  44 and name HG2*) (resid  45 and name   HN)  3.42  1.72  1.72
assign (resid  44 and name HG1*) (resid  45 and name   HN)  3.15  1.45  1.45
assign (resid  64 and name   HA) (resid  65 and name   HN)  2.91  1.21  1.21
assign (resid  64 and name   HB) (resid  65 and name   HN)  2.67  0.97  0.96
assign (resid  64 and name  HG*) (resid  65 and name   HN)  2.95  1.25  1.25
assign (resid  64 and name  HG*) (resid  63 and name   HN)  3.63  1.93  1.93
assign (resid  79 and name   HA) (resid  80 and name   HN)  3.37  1.67  1.67
assign (resid  79 and name   HB) (resid  80 and name   HN)  2.45  0.75  0.75
assign (resid  79 and name HG1*) (resid  80 and name   HN)  3.21  1.51  1.50
assign (resid  82 and name   HB) (resid  83 and name   HN)  3.77  2.07  2.07
assign (resid  82 and name  HG*) (resid  83 and name   HA)  3.85  2.15  2.15
assign (resid  82 and name  HG*) (resid  83 and name   HN)  3.48  1.78  1.78
assign (resid   9 and name   HA) (resid   8 and name  HB*)  3.85  2.15  2.15
assign (resid   9 and name   HA) (resid  10 and name   HN)  2.96  1.26  1.25
assign (resid   9 and name   HB) (resid  10 and name   HN)  2.68  0.98  0.98
assign (resid   5 and name   HA) (resid   6 and name   HN)  2.96  1.26  1.25
assign (resid   5 and name  HB*) (resid   6 and name   HN)  3.08  1.39  1.38
assign (resid  25 and name   HA) (resid  24 and name  HD*)  3.85  2.15  2.15
assign (resid  26 and name   HA) (resid  27 and name  HE*)  3.85  2.15  2.15
assign (resid  26 and name HG2*) (resid  27 and name  HE*)  3.85  2.15  2.15
assign (resid   4 and name HD1*) (resid   5 and name  HD*)  3.85  2.15  2.15
assign (resid   4 and name HD1*) (resid   5 and name  HE*)  3.85  2.15  2.15
assign (resid   4 and name HG2*) (resid   5 and name  HD*)  3.85  2.15  2.15
assign (resid   4 and name HG2*) (resid   5 and name  HE*)  3.85  2.15  2.15
assign (resid  78 and name   HA) (resid  77 and name  HD*)  3.85  2.15  2.15
assign (resid   3 and name   HN) (resid   4 and name   HN)  3.34  1.64  1.64
assign (resid   3 and name   HN) (resid   2 and name   HA)  2.93  1.23  1.23
assign (resid   4 and name   HN) (resid   5 and name   HN)  2.67  0.97  0.98
assign (resid   5 and name   HN) (resid   6 and name   HN)  2.66  0.96  0.96
assign (resid   5 and name   HN) (resid   6 and name  HB*)  3.83  2.13  2.13
assign (resid   5 and name   HN) (resid   4 and name HD1*)  3.85  2.15  2.15
assign (resid   6 and name   HN) (resid   7 and name   HN)  2.70  1.00  1.00
assign (resid   6 and name   HN) (resid   5 and name  HD*)  3.85  2.15  2.15
assign (resid   7 and name   HN) (resid   8 and name   HN)  2.62  0.92  0.92
assign (resid   7 and name   HN) (resid   8 and name  HB*)  3.69  1.99  1.99
assign (resid   7 and name   HN) (resid   6 and name  HD*)  3.85  2.15  2.15
assign (resid   8 and name   HN) (resid   9 and name   HB)  3.83  2.12  2.12
assign (resid   8 and name   HN) (resid   9 and name   HN)  2.67  0.97  0.96
assign (resid   9 and name   HN) (resid  10 and name   HN)  2.62  0.93  0.92
assign (resid  10 and name   HN) (resid  11 and name   HN)  2.61  0.91  0.91
assign (resid  11 and name   HN) (resid  12 and name   HG)  3.17  1.47  1.46
assign (resid  12 and name   HN) (resid  13 and name   HN)  3.27  1.57  1.56
assign (resid  12 and name   HN) (resid  11 and name  HB1)  3.12  1.43  1.42
assign (resid  12 and name   HN) (resid  11 and name  HG*)  3.71  2.01  2.01
assign (resid  13 and name   HN) (resid  12 and name  HB2)  2.99  1.29  1.29
assign (resid  14 and name   HN) (resid  13 and name HG2*)  3.43  1.73  1.73
assign (resid  14 and name   HN) (resid  15 and name   HN)  2.74  1.04  1.04
assign (resid  14 and name   HN) (resid  13 and name   HB)  2.46  0.76  0.76
assign (resid  15 and name   HN) (resid  16 and name   HN)  2.65  0.95  0.95
assign (resid  16 and name   HN) (resid  17 and name   HN)  2.65  0.95  0.95
assign (resid  17 and name   HN) (resid  16 and name  HG*)  3.37  1.67  1.67
assign (resid  17 and name   HN) (resid  18 and name   HN)  2.73  1.03  1.02
assign (resid  17 and name   HN) (resid  18 and name   HA)  3.79  2.08  2.08
assign (resid  18 and name   HN) (resid  19 and name   HN)  2.63  0.93  0.93
assign (resid  18 and name   HN) (resid  19 and name  HB*)  3.65  1.95  1.94
assign (resid  19 and name   HN) (resid  18 and name   HA)  3.06  1.36  1.35
assign (resid  20 and name   HN) (resid  19 and name   HN)  2.44  0.74  0.75
assign (resid  20 and name   HN) (resid  19 and name  HG*)  3.33  1.63  1.63
assign (resid  21 and name   HN) (resid  22 and name  HB*)  3.56  1.86  1.86
assign (resid  21 and name   HN) (resid  22 and name   HN)  2.54  0.84  0.83
assign (resid  21 and name   HN) (resid  20 and name   HA)  2.97  1.27  1.27
assign (resid  22 and name   HN) (resid  23 and name   HN)  2.58  0.88  0.88
assign (resid  22 and name   HN) (resid  21 and name  HG*)  3.15  1.45  1.44
assign (resid  23 and name   HN) (resid  24 and name  HB*)  3.54  1.84  1.84
assign (resid  23 and name   HN) (resid  24 and name   HN)  2.50  0.80  0.79
assign (resid  24 and name   HN) (resid  23 and name   HA)  2.93  1.23  1.23
assign (resid  24 and name   HN) (resid  25 and name   HN)  2.62  0.92  0.92
assign (resid  25 and name   HN) (resid  24 and name  HD*)  3.21  1.51  1.50
assign (resid  25 and name   HN) (resid  26 and name   HN)  2.69  0.99  0.98
assign (resid  25 and name   HN) (resid  24 and name  HE*)  3.82  2.12  2.12
assign (resid  25 and name   HN) (resid  26 and name   HB)  3.62  1.92  1.92
assign (resid  26 and name   HN) (resid  27 and name   HN)  2.62  0.93  0.92
assign (resid  27 and name   HN) (resid  28 and name   HN)  2.46  0.76  0.75
assign (resid  27 and name   HN) (resid  28 and name   HA)  3.42  1.72  1.71
assign (resid  28 and name   HN) (resid  27 and name  HB2)  3.10  1.40  1.40
assign (resid  28 and name   HN) (resid  29 and name   HN)  2.81  1.11  1.11
assign (resid  28 and name   HN) (resid  27 and name   HA)  2.90  1.20  1.19
assign (resid  28 and name   HN) (resid  27 and name  HB1)  3.35  1.65  1.65
assign (resid  29 and name   HN) (resid  30 and name   HN)  3.00  1.30  1.30
assign (resid  30 and name   HN) (resid  29 and name  HB*)  3.47  1.77  1.77
assign (resid  31 and name   HN) (resid  32 and name   HN)  3.04  1.34  1.34
assign (resid  33 and name   HN) (resid  34 and name   HN)  2.82  1.12  1.12
assign (resid  33 and name   HN) (resid  32 and name   HN)  2.79  1.09  1.08
assign (resid  34 and name   HN) (resid  35 and name   HN)  3.02  1.32  1.31
assign (resid  34 and name   HN) (resid  33 and name   HA)  2.93  1.23  1.23
assign (resid  37 and name   HN) (resid  36 and name HG2*)  3.20  1.50  1.50
assign (resid  37 and name   HN) (resid  36 and name   HA)  2.27  0.57  0.56
assign (resid  37 and name   HN) (resid  36 and name HD1*)  3.64  1.94  1.94
assign (resid  37 and name   HN) (resid  36 and name HG1*)  2.83  1.13  1.12
assign (resid  38 and name   HN) (resid  39 and name   HN)  2.67  0.97  0.96
assign (resid  38 and name   HN) (resid  37 and name   HN)  3.39  1.69  1.69
assign (resid  39 and name   HN) (resid  38 and name   HB)  3.26  1.56  1.56
assign (resid  39 and name   HN) (resid  40 and name   HN)  2.59  0.89  0.89
assign (resid  39 and name   HN) (resid  38 and name HG2*)  3.68  1.98  1.98
assign (resid  39 and name   HN) (resid  40 and name  HG*)  3.32  1.62  1.62
assign (resid  40 and name   HN) (resid  41 and name   HN)  2.44  0.74  0.73
assign (resid  40 and name   HN) (resid  39 and name  HG*)  3.35  1.65  1.65
assign (resid  41 and name   HN) (resid  42 and name   HN)  3.02  1.32  1.31
assign (resid  41 and name   HN) (resid  40 and name  HG*)  3.54  1.84  1.84
assign (resid  41 and name   HN) (resid  40 and name   HA)  2.94  1.24  1.24
assign (resid  42 and name   HN) (resid  43 and name   HN)  2.81  1.11  1.11
assign (resid  43 and name   HN) (resid  44 and name HG2*)  3.85  2.15  2.15
assign (resid  44 and name   HN) (resid  45 and name   HN)  2.69  0.99  1.00
assign (resid  46 and name   HN) (resid  45 and name   HN)  2.67  0.97  0.96
assign (resid  46 and name   HN) (resid  45 and name  HG*)  3.41  1.71  1.71
assign (resid  47 and name   HN) (resid  48 and name HD1*)  3.85  2.15  2.15
assign (resid  47 and name   HN) (resid  46 and name  HG*)  3.22  1.52  1.52
assign (resid  47 and name   HN) (resid  48 and name   HN)  2.58  0.89  0.89
assign (resid  47 and name   HN) (resid  46 and name   HA)  3.04  1.34  1.34
assign (resid  48 and name   HN) (resid  49 and name   HN)  2.61  0.91  0.91
assign (resid  48 and name   HN) (resid  47 and name  HG*)  3.40  1.70  1.70
assign (resid  48 and name   HN) (resid  49 and name  HA*)  3.45  1.75  1.75
assign (resid  49 and name   HN) (resid  50 and name   HN)  2.71  1.01  1.01
assign (resid  49 and name   HN) (resid  50 and name  HB*)  3.56  1.86  1.86
assign (resid  49 and name   HN) (resid  48 and name   HA)  2.94  1.24  1.24
assign (resid  49 and name   HN) (resid  48 and name  HB*)  3.48  1.78  1.78
assign (resid  51 and name   HN) (resid  50 and name   HN)  3.46  1.76  1.76
assign (resid  51 and name   HN) (resid  50 and name  HB*)  2.79  1.09  1.10
assign (resid  53 and name   HN) (resid  54 and name  HD*)  3.56  1.86  1.86
assign (resid  55 and name   HN) (resid  56 and name   HN)  2.67  0.97  0.98
assign (resid  56 and name   HN) (resid  55 and name  HG*)  3.56  1.86  1.86
assign (resid  56 and name   HN) (resid  57 and name  HD*)  3.85  2.15  2.15
assign (resid  56 and name   HN) (resid  57 and name  HB*)  3.76  2.06  2.06
assign (resid  56 and name   HN) (resid  55 and name  HB*)  2.93  1.23  1.23
assign (resid  56 and name   HN) (resid  57 and name   HN)  2.69  0.99  1.00
assign (resid  57 and name   HN) (resid  58 and name   HN)  2.71  1.01  1.02
assign (resid  60 and name   HN) (resid  61 and name   HN)  2.65  0.95  0.95
assign (resid  61 and name   HN) (resid  62 and name   HN)  2.63  0.93  0.94
assign (resid  62 and name   HN) (resid  61 and name HG1*)  3.56  1.86  1.86
assign (resid  62 and name   HN) (resid  63 and name   HN)  2.65  0.95  0.94
assign (resid  62 and name   HN) (resid  61 and name HD1*)  3.76  2.06  2.06
assign (resid  63 and name   HN) (resid  64 and name   HN)  2.54  0.84  0.83
assign (resid  64 and name   HN) (resid  65 and name   HN)  2.42  0.72  0.71
assign (resid  64 and name   HN) (resid  63 and name  HG*)  3.25  1.55  1.54
assign (resid  65 and name   HN) (resid  66 and name   HN)  2.98  1.28  1.27
assign (resid  66 and name   HN) (resid  65 and name  HB*)  3.46  1.76  1.76
assign (resid  66 and name   HN) (resid  67 and name   HN)  2.65  0.95  0.94
assign (resid  67 and name   HN) (resid  68 and name   HN)  2.61  0.91  0.92
assign (resid  68 and name   HN) (resid  69 and name   HN)  2.85  1.15  1.15
assign (resid  68 and name   HN) (resid  69 and name   HA)  3.84  2.14  2.14
assign (resid  68 and name   HN) (resid  67 and name  HB*)  3.81  2.11  2.10
assign (resid  68 and name   HN) (resid  69 and name  HB*)  3.85  2.15  2.15
assign (resid  69 and name   HN) (resid  70 and name   HN)  2.54  0.84  0.84
assign (resid  69 and name   HN) (resid  68 and name  HA*)  2.97  1.27  1.27
assign (resid  70 and name   HN) (resid  71 and name   HA)  3.73  2.03  2.02
assign (resid  70 and name   HN) (resid  69 and name  HB*)  3.68  1.98  1.98
assign (resid  71 and name   HN) (resid  72 and name   HA)  3.53  1.83  1.83
assign (resid  71 and name   HN) (resid  70 and name   HN)  2.50  0.80  0.79
assign (resid  71 and name   HN) (resid  72 and name   HN)  3.36  1.66  1.66
assign (resid  72 and name   HN) (resid  71 and name   HA)  2.26  0.56  0.56
assign (resid  73 and name   HN) (resid  72 and name HG2*)  3.37  1.67  1.67
assign (resid  73 and name   HN) (resid  72 and name HG1*)  3.04  1.34  1.34
assign (resid  73 and name   HN) (resid  72 and name   HA)  2.19  0.49  0.49
assign (resid  73 and name   HN) (resid  72 and name   HB)  2.60  0.91  0.90
assign (resid  74 and name   HN) (resid  75 and name   HN)  2.61  0.91  0.92
assign (resid  75 and name   HN) (resid  76 and name   HN)  2.50  0.80  0.80
assign (resid  75 and name   HN) (resid  74 and name  HD*)  3.41  1.71  1.71
assign (resid  75 and name   HN) (resid  74 and name   HA)  2.96  1.26  1.25
assign (resid  76 and name   HN) (resid  77 and name   HN)  2.56  0.86  0.86
assign (resid  77 and name   HN) (resid  76 and name  HB*)  2.77  1.07  1.08
assign (resid  77 and name   HN) (resid  78 and name   HN)  2.73  1.03  1.02
assign (resid  77 and name   HN) (resid  76 and name  HG*)  3.14  1.44  1.44
assign (resid  78 and name   HN) (resid  77 and name  HD*)  3.32  1.62  1.62
assign (resid  78 and name   HN) (resid  79 and name   HN)  2.81  1.11  1.11
assign (resid  79 and name   HN) (resid  80 and name   HN)  2.64  0.94  0.94
assign (resid  79 and name   HN) (resid  80 and name  HB2)  3.85  2.15  2.15
assign (resid  80 and name   HN) (resid  79 and name HG2*)  3.12  1.43  1.42
assign (resid  80 and name   HN) (resid  81 and name   HN)  2.56  0.86  0.86
assign (resid  81 and name   HN) (resid  80 and name  HB1)  2.77  1.07  1.08
assign (resid  81 and name   HN) (resid  80 and name  HB2)  2.73  1.03  1.03
assign (resid  81 and name   HN) (resid  80 and name   HA)  3.06  1.36  1.35
assign (resid  82 and name   HN) (resid  81 and name  HB2)  2.79  1.09  1.10
assign (resid  82 and name   HN) (resid  81 and name  HB1)  2.94  1.24  1.23
assign (resid  82 and name   HN) (resid  81 and name   HA)  3.12  1.42  1.42
assign (resid  83 and name   HN) (resid  84 and name  HB*)  3.85  2.15  2.15
assign (resid  83 and name   HN) (resid  82 and name   HN)  2.67  0.97  0.96
assign (resid  84 and name   HN) (resid  83 and name   HA)  2.92  1.22  1.21
assign (resid  84 and name   HN) (resid  83 and name  HB*)  2.85  1.15  1.15
assign (resid  85 and name   HN) (resid  84 and name  HB*)  2.98  1.28  1.28
class medium
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assign (resid  22 and name   HA) (resid  25 and name   HN)  3.35  1.65  1.65
assign (resid  23 and name   HA) (resid  26 and name   HB)  3.02  1.32  1.31
assign (resid  23 and name   HA) (resid  26 and name HD1*)  2.73  1.03  1.02
assign (resid  23 and name   HA) (resid  26 and name HG1*)  2.78  1.08  1.08
assign (resid  23 and name  HB*) (resid  20 and name   HA)  3.19  1.49  1.48
assign (resid  31 and name  HB*) (resid  35 and name   HN)  3.32  1.62  1.62
assign (resid  31 and name  HB*) (resid  34 and name   HN)  3.54  1.84  1.83
assign (resid  31 and name  HB*) (resid  28 and name   HA)  3.57  1.87  1.87
assign (resid  31 and name  HB*) (resid  28 and name  HG*)  3.73  2.03  2.02
assign (resid   7 and name   HA) (resid  10 and name  HG*)  2.98  1.28  1.27
assign (resid   7 and name  HB*) (resid   4 and name   HA)  3.17  1.47  1.46
assign (resid   8 and name   HA) (resid  11 and name   HN)  3.45  1.75  1.75
assign (resid   8 and name  HB*) (resid   5 and name   HA)  3.43  1.73  1.73
assign (resid  84 and name  HB*) (resid  81 and name   HA)  3.40  1.70  1.70
assign (resid  25 and name   HA) (resid  28 and name   HB)  2.88  1.18  1.17
assign (resid  25 and name   HA) (resid  28 and name  HG*)  2.65  0.95  0.94
assign (resid  65 and name  HB*) (resid  61 and name HG2*)  3.10  1.41  1.40
assign (resid  75 and name   HA) (resid  78 and name  HB*)  3.11  1.41  1.41
assign (resid  75 and name   HA) (resid  78 and name  HD*)  3.53  1.83  1.83
assign (resid  75 and name   HA) (resid  78 and name   HN)  3.09  1.39  1.39
assign (resid  75 and name   HA) (resid  79 and name   HN)  3.42  1.72  1.72
assign (resid  10 and name   HA) (resid  12 and name   HN)  3.40  1.70  1.69
assign (resid  14 and name   HA) (resid  17 and name  HE*)  3.18  1.48  1.48
assign (resid  14 and name   HA) (resid  17 and name   HN)  3.50  1.80  1.80
assign (resid  14 and name   HA) (resid  18 and name   HN)  3.54  1.84  1.84
assign (resid  14 and name  HG*) (resid  17 and name   HN)  3.85  2.15  2.15
assign (resid  15 and name   HA) (resid  18 and name  HB*)  3.10  1.40  1.40
assign (resid  19 and name   HA) (resid  22 and name  HB*)  3.42  1.72  1.72
assign (resid  19 and name   HA) (resid  22 and name   HN)  3.65  1.95  1.94
assign (resid  40 and name  HG*) (resid  37 and name  HB*)  3.20  1.50  1.50
assign (resid  55 and name   HA) (resid  58 and name   HN)  3.45  1.75  1.75
assign (resid  56 and name   HA) (resid  59 and name  HB*)  3.12  1.42  1.42
assign (resid  56 and name  HB1) (resid  53 and name   HN)  3.14  1.44  1.44
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assign (resid  56 and name  HB2) (resid  53 and name   HN)  2.87  1.17  1.17
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assign (resid  41 and name HD1*) (resid  36 and name HD1*)  3.85  2.15  2.15
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assign (resid  48 and name HD1*) (resid  45 and name   HA)  3.85  2.15  2.15
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assign (resid  85 and name  HE*) (resid  82 and name  HG*)  3.85  2.15  2.15
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assign (resid  83 and name  HD*) (resid  79 and name HG1*)  3.70  2.00  2.00
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assign (resid  13 and name HG2*) (resid  16 and name   HN)  3.85  2.15  2.15
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assign (resid  44 and name HG1*) (resid  41 and name   HA)  2.76  1.06  1.06
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assign (resid  24 and name   HA) (resid  27 and name  HD*)  3.85  2.15  2.15
assign (resid  24 and name  HD*) (resid  28 and name  HG*)  3.85  2.15  2.15
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assign (resid  72 and name HG1*) (resid  77 and name  HD*)  3.85  2.15  2.15
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assign (resid   9 and name   HN) (resid   7 and name  HB*)  3.85  2.15  2.15
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assign (resid  12 and name   HN) (resid  10 and name   HN)  3.35  1.65  1.65
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assign (resid  15 and name   HN) (resid  18 and name  HB*)  3.85  2.15  2.15
assign (resid  15 and name   HN) (resid  13 and name   HB)  2.69  0.99  0.98
assign (resid  15 and name   HN) (resid  13 and name  HG1)  3.70  2.00  2.00
assign (resid  16 and name   HN) (resid  14 and name   HA)  3.14  1.44  1.44
assign (resid  16 and name   HN) (resid  13 and name   HB)  3.08  1.39  1.38
assign (resid  16 and name   HN) (resid  13 and name  HG1)  3.13  1.43  1.43
assign (resid  16 and name   HN) (resid  18 and name   HN)  3.20  1.50  1.50
assign (resid  16 and name   HN) (resid  13 and name   HA)  3.43  1.73  1.73
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assign (resid  20 and name   HN) (resid  18 and name   HA)  3.45  1.75  1.75
assign (resid  21 and name   HN) (resid  19 and name   HN)  3.37  1.67  1.67
assign (resid  21 and name   HN) (resid  19 and name   HA)  3.16  1.46  1.46
assign (resid  21 and name   HN) (resid  18 and name  HB*)  3.66  1.96  1.96
assign (resid  21 and name   HN) (resid  19 and name  HB*)  3.85  2.15  2.15
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assign (resid  23 and name   HN) (resid  20 and name   HA)  3.14  1.44  1.44
assign (resid  24 and name   HN) (resid  20 and name   HA)  3.31  1.61  1.60
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assign (resid  25 and name   HN) (resid  23 and name   HA)  3.61  1.91  1.91
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assign (resid  28 and name   HN) (resid  25 and name   HA)  2.82  1.12  1.12
assign (resid  30 and name   HN) (resid  28 and name   HB)  3.82  2.12  2.12
assign (resid  35 and name   HN) (resid  33 and name   HA)  3.21  1.51  1.50
assign (resid  37 and name   HN) (resid  40 and name  HG*)  3.21  1.51  1.50
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assign (resid  39 and name   HN) (resid  41 and name   HN)  3.42  1.72  1.72
assign (resid  40 and name   HN) (resid  36 and name HD1*)  3.85  2.15  2.15
assign (resid  41 and name   HN) (resid  38 and name   HB)  3.85  2.15  2.15
assign (resid  41 and name   HN) (resid  36 and name HG1*)  3.02  1.32  1.32
assign (resid  41 and name   HN) (resid  36 and name HD1*)  3.85  2.15  2.15
assign (resid  41 and name   HN) (resid  39 and name   HA)  3.22  1.52  1.52
assign (resid  41 and name   HN) (resid  44 and name HG2*)  3.85  2.15  2.15
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assign (resid  43 and name   HN) (resid  45 and name   HN)  3.48  1.78  1.78
assign (resid  44 and name   HN) (resid  46 and name   HN)  3.40  1.70  1.69
assign (resid  44 and name   HN) (resid  46 and name  HG*)  3.48  1.78  1.78
assign (resid  44 and name   HN) (resid  40 and name   HA)  3.72  2.02  2.02
assign (resid  46 and name   HN) (resid  43 and name   HA)  2.72  1.02  1.02
assign (resid  46 and name   HN) (resid  44 and name   HA)  3.39  1.69  1.69
assign (resid  47 and name   HN) (resid  43 and name   HA)  3.17  1.47  1.47
assign (resid  48 and name   HN) (resid  50 and name   HN)  3.23  1.53  1.52
assign (resid  48 and name   HN) (resid  44 and name HG1*)  3.85  2.15  2.15
assign (resid  48 and name   HN) (resid  46 and name   HA)  3.14  1.44  1.44
assign (resid  48 and name   HN) (resid  44 and name   HA)  3.48  1.78  1.78
assign (resid  49 and name   HN) (resid  45 and name   HA)  3.63  1.93  1.93
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assign (resid  53 and name   HN) (resid  57 and name   HN)  3.62  1.93  1.92
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assign (resid  55 and name   HN) (resid  53 and name HG2*)  3.85  2.15  2.15
assign (resid  55 and name   HN) (resid  57 and name   HN)  3.61  1.91  1.91
assign (resid  55 and name   HN) (resid  53 and name   HA)  3.42  1.72  1.72
assign (resid  56 and name   HN) (resid  53 and name HG2*)  3.85  2.15  2.15
assign (resid  56 and name   HN) (resid  58 and name   HN)  3.50  1.80  1.79
assign (resid  56 and name   HN) (resid  53 and name   HA)  3.85  2.15  2.15
assign (resid  56 and name   HN) (resid  54 and name   HA)  3.77  2.07  2.07
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assign (resid  67 and name   HN) (resid  65 and name   HA)  3.06  1.36  1.36
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assign (resid  68 and name   HN) (resid  65 and name  HB*)  3.76  2.06  2.06
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assign (resid  73 and name   HN) (resid  76 and name   HN)  3.00  1.30  1.29
assign (resid  74 and name   HN) (resid  76 and name   HN)  3.37  1.67  1.67
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assign (resid  75 and name   HN) (resid  73 and name   HA)  3.23  1.53  1.52
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assign (resid  77 and name   HN) (resid  80 and name   HN)  3.44  1.74  1.74
assign (resid  78 and name   HN) (resid  74 and name  HD*)  3.81  2.11  2.11
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assign (resid  18 and name HD21) (resid  14 and name  HG*)  3.85  2.15  2.15
assign (resid  18 and name HD22) (resid  15 and name   HA)  3.39  1.69  1.69
assign (resid  58 and name HE22) (resid  61 and name HG2*)  3.85  2.15  2.15
assign (resid  58 and name HE22) (resid  61 and name HD1*)  3.85  2.15  2.15
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assign (resid  58 and name HE21) (resid  61 and name HG2*)  3.62  1.92  1.92
class long
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assign (resid   8 and name  HB*) (resid  79 and name   HN)  3.85  2.15  2.15
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assign (resid  35 and name  HB*) (resid  71 and name   HB)  3.25  1.55  1.55
assign (resid  35 and name  HB*) (resid  71 and name HG2*)  3.85  2.15  2.15
assign (resid  84 and name   HA) (resid  60 and name  HE*)  3.85  2.15  2.15
assign (resid  84 and name  HB*) (resid  45 and name  HE*)  3.85  2.15  2.15
assign (resid  84 and name  HB*) (resid  60 and name  HE*)  3.85  2.15  2.15
assign (resid  84 and name  HB*) (resid  50 and name  HG*)  3.85  2.15  2.15
assign (resid  65 and name  HB*) (resid  38 and name HG2*)  3.70  2.00  2.00
assign (resid  73 and name   HA) (resid  24 and name   HZ)  2.94  1.24  1.24
assign (resid  73 and name   HA) (resid  36 and name   HN)  3.28  1.58  1.58
assign (resid  19 and name  HG*) (resid  48 and name HD2*)  3.85  2.15  2.15
assign (resid  20 and name  HB*) (resid  78 and name  HD*)  3.79  2.09  2.09
assign (resid  24 and name   HA) (resid  36 and name HD1*)  3.83  2.13  2.13
assign (resid  24 and name   HA) (resid  44 and name HG2*)  3.13  1.43  1.43
assign (resid  24 and name   HA) (resid  44 and name HG1*)  3.00  1.30  1.30
assign (resid  27 and name  HB2) (resid  36 and name HD1*)  3.73  2.03  2.03
assign (resid  27 and name  HB2) (resid  36 and name HG2*)  2.99  1.29  1.29
assign (resid  27 and name  HB1) (resid  36 and name HD1*)  3.85  2.15  2.15
assign (resid  27 and name  HB1) (resid  36 and name HG2*)  3.27  1.57  1.56
assign (resid  34 and name  HA*) (resid  28 and name  HG*)  2.72  1.02  1.02
assign (resid  42 and name  HA*) (resid  57 and name  HD*)  3.43  1.73  1.73
assign (resid  70 and name  HA*) (resid  38 and name HG2*)  3.50  1.80  1.79
assign (resid  26 and name HD1*) (resid  47 and name  HE*)  3.69  1.99  1.99
assign (resid  26 and name HG2*) (resid  47 and name  HE*)  3.85  2.15  2.15
assign (resid  36 and name HG2*) (resid  28 and name   HA)  2.69  0.99  0.98
assign (resid  36 and name HG2*) (resid  72 and name HG2*)  3.85  2.15  2.15
assign (resid  61 and name   HA) (resid  38 and name HG2*)  3.85  2.15  2.15
assign (resid  61 and name HD1*) (resid  41 and name  HB*)  3.57  1.87  1.87
assign (resid  61 and name HD1*) (resid  38 and name   HB)  2.98  1.28  1.27
assign (resid  61 and name HG2*) (resid  71 and name   HN)  3.48  1.78  1.78
assign (resid  17 and name   HA) (resid  78 and name  HD*)  3.85  2.15  2.15
assign (resid  17 and name  HE*) (resid   9 and name  HG*)  3.58  1.88  1.88
assign (resid  12 and name HD2*) (resid  85 and name  HE*)  3.55  1.85  1.85
assign (resid  41 and name HD1*) (resid  80 and name  HE*)  3.85  2.15  2.15
assign (resid  48 and name HD1*) (resid  23 and name  HB*)  3.85  2.15  2.15
assign (resid  48 and name HD1*) (resid  20 and name   HA)  3.85  2.15  2.15
assign (resid  48 and name HD2*) (resid  23 and name  HB*)  3.85  2.15  2.15
assign (resid  48 and name HD2*) (resid  19 and name  HB*)  3.85  2.15  2.15
assign (resid  48 and name HD2*) (resid  20 and name   HA)  3.75  2.05  2.05
assign (resid  57 and name  HD*) (resid  42 and name   HN)  3.71  2.01  2.01
assign (resid  57 and name  HD*) (resid  45 and name  HG*)  3.54  1.84  1.84
assign (resid  78 and name  HD*) (resid   9 and name  HG*)  3.85  2.15  2.15
assign (resid  78 and name  HD*) (resid  17 and name  HG*)  3.85  2.15  2.15
assign (resid  45 and name  HE*) (resid  84 and name   HN)  3.85  2.15  2.15
assign (resid  45 and name  HE*) (resid  81 and name   HA)  3.24  1.54  1.54
assign (resid  45 and name  HE*) (resid  81 and name   HN)  3.85  2.15  2.15
assign (resid  45 and name  HE*) (resid  52 and name  HD*)  3.66  1.96  1.96
assign (resid  60 and name  HE*) (resid  80 and name   HA)  3.85  2.15  2.15
assign (resid  80 and name  HE*) (resid  61 and name   HA)  3.50  1.80  1.80
assign (resid  50 and name  HG*) (resid  81 and name  HE*)  3.85  2.15  2.15
assign (resid  37 and name   HA) (resid  71 and name   HA)  2.69  0.99  1.00
assign (resid  37 and name  HB*) (resid  29 and name HD1*)  3.85  2.15  2.15
assign (resid  37 and name  HB*) (resid  71 and name HG2*)  3.85  2.15  2.15
assign (resid  37 and name  HB*) (resid  29 and name HD2*)  3.85  2.15  2.15
assign (resid  38 and name   HB) (resid  61 and name HG1*)  3.21  1.51  1.51
assign (resid  38 and name   HB) (resid  61 and name HG2*)  3.29  1.59  1.59
assign (resid  38 and name HG2*) (resid  71 and name   HA)  3.06  1.36  1.36
assign (resid  38 and name HG2*) (resid  71 and name   HN)  3.31  1.61  1.61
assign (resid  71 and name   HA) (resid  38 and name   HN)  2.81  1.11  1.10
assign (resid  71 and name HG2*) (resid  37 and name   HA)  3.82  2.12  2.12
assign (resid  28 and name   HA) (resid  36 and name   HA)  2.96  1.26  1.25
assign (resid  28 and name   HB) (resid  34 and name  HA*)  3.08  1.38  1.38
assign (resid  28 and name  HG*) (resid  35 and name   HN)  3.04  1.34  1.34
assign (resid  28 and name  HG*) (resid  34 and name   HN)  3.54  1.84  1.84
assign (resid  28 and name  HG*) (resid  36 and name HG2*)  3.10  1.40  1.40
assign (resid  64 and name  HG*) (resid  80 and name   HA)  3.82  2.12  2.12
assign (resid  64 and name  HG*) (resid  80 and name  HE*)  3.05  1.35  1.35
assign (resid  72 and name   HB) (resid  36 and name HG1*)  3.02  1.32  1.32
assign (resid  72 and name HG2*) (resid  36 and name HD1*)  3.85  2.15  2.15
assign (resid  72 and name HG2*) (resid  36 and name   HN)  3.73  2.04  2.03
assign (resid  72 and name HG2*) (resid  41 and name   HG)  3.39  1.69  1.69
assign (resid  72 and name HG2*) (resid  80 and name  HE*)  3.20  1.50  1.50
assign (resid  72 and name HG2*) (resid  38 and name   HA)  2.73  1.03  1.04
assign (resid  72 and name HG1*) (resid  80 and name  HE*)  3.00  1.30  1.30
assign (resid  79 and name HG1*) (resid   5 and name  HB*)  3.58  1.88  1.88
assign (resid  79 and name HG2*) (resid   5 and name   HA)  3.71  2.00  2.00
assign (resid  79 and name HG2*) (resid   5 and name  HB*)  3.82  2.12  2.12
assign (resid  82 and name   HB) (resid   8 and name  HB*)  3.85  2.15  2.15
assign (resid  82 and name  HG*) (resid   8 and name  HB*)  3.85  2.15  2.15
assign (resid  82 and name  HG*) (resid   9 and name   HA)  3.50  1.80  1.80
assign (resid  82 and name  HG*) (resid   5 and name   HA)  3.85  2.15  2.15
assign (resid  82 and name  HG*) (resid   5 and name  HB*)  3.85  2.15  2.15
assign (resid   9 and name  HG*) (resid  17 and name  HD*)  3.85  2.15  2.15
assign (resid   9 and name  HG*) (resid  79 and name   HA)  3.85  2.15  2.15
assign (resid  20 and name  HD*) (resid  78 and name  HD*)  3.85  2.15  2.15
assign (resid  24 and name  HB*) (resid  74 and name  HE*)  3.85  2.15  2.15
assign (resid  74 and name   HA) (resid  24 and name  HE*)  3.85  2.15  2.15
assign (resid  36 and name HD1*) (resid  24 and name  HD*)  3.85  2.15  2.15
assign (resid  36 and name HD1*) (resid  24 and name  HE*)  3.85  2.15  2.15
assign (resid  36 and name HD1*) (resid  77 and name  HD*)  3.85  2.15  2.15
assign (resid  21 and name   HA) (resid  74 and name  HD*)  3.85  2.15  2.15
assign (resid  21 and name   HA) (resid  74 and name  HE*)  3.43  1.73  1.73
assign (resid  12 and name HD2*) (resid  20 and name  HD*)  3.85  2.15  2.15
assign (resid  12 and name HD2*) (resid  20 and name  HE*)  3.85  2.15  2.15
assign (resid  12 and name HD1*) (resid  20 and name  HD*)  3.85  2.15  2.15
assign (resid  12 and name HD1*) (resid  20 and name  HE*)  3.85  2.15  2.15
assign (resid  41 and name HD2*) (resid  77 and name  HD*)  3.85  2.15  2.15
assign (resid  41 and name HD1*) (resid  77 and name  HD*)  3.85  2.15  2.15
assign (resid  48 and name HD1*) (resid  20 and name  HE*)  3.85  2.15  2.15
assign (resid  48 and name HD2*) (resid  20 and name  HD*)  3.85  2.15  2.15
assign (resid  48 and name HD2*) (resid  20 and name  HE*)  3.85  2.15  2.15
assign (resid  78 and name  HD*) (resid  20 and name  HE*)  3.85  2.15  2.15
assign (resid  45 and name  HE*) (resid  77 and name  HD*)  3.85  2.15  2.15
assign (resid  47 and name  HE*) (resid  27 and name  HD*)  3.85  2.15  2.15
assign (resid  47 and name  HE*) (resid  27 and name  HE*)  3.85  2.15  2.15
assign (resid  81 and name  HE*) (resid  20 and name  HD*)  3.85  2.15  2.15
assign (resid  81 and name  HE*) (resid  20 and name  HE*)  3.85  2.15  2.15
assign (resid  81 and name  HG*) (resid  20 and name  HD*)  3.85  2.15  2.15
assign (resid  83 and name   HA) (resid   5 and name  HE*)  3.85  2.15  2.15
assign (resid  44 and name   HA) (resid  27 and name  HD*)  3.83  2.13  2.13
assign (resid  44 and name   HA) (resid  27 and name  HE*)  3.85  2.15  2.15
assign (resid  79 and name HG1*) (resid   5 and name  HE*)  3.85  2.15  2.15
assign (resid   5 and name  HD*) (resid  79 and name HG2*)  3.85  2.15  2.15
assign (resid  20 and name   HN) (resid  48 and name HD2*)  3.85  2.15  2.15
assign (resid  20 and name   HN) (resid  74 and name   HZ)  3.47  1.77  1.77
assign (resid  21 and name   HN) (resid  74 and name  HE*)  3.06  1.36  1.36
assign (resid  21 and name   HN) (resid  74 and name   HZ)  2.71  1.01  1.01
assign (resid  27 and name   HN) (resid  36 and name HG2*)  3.52  1.82  1.82
assign (resid  28 and name   HN) (resid  36 and name HG2*)  3.45  1.75  1.75
assign (resid  29 and name   HN) (resid  36 and name   HA)  3.31  1.61  1.60
assign (resid  29 and name   HN) (resid  36 and name HG2*)  3.85  2.15  2.15
assign (resid  35 and name   HN) (resid  28 and name   HA)  3.29  1.59  1.59
assign (resid  35 and name   HN) (resid  24 and name  HE*)  3.69  1.99  1.99
assign (resid  35 and name   HN) (resid  28 and name   HB)  3.34  1.64  1.64
assign (resid  36 and name   HN) (resid  72 and name   HB)  3.25  1.55  1.54
assign (resid  36 and name   HN) (resid  72 and name   HN)  2.62  0.93  0.92
assign (resid  36 and name   HN) (resid  24 and name   HZ)  2.74  1.04  1.04
assign (resid  36 and name   HN) (resid  24 and name  HE*)  3.22  1.52  1.52
assign (resid  36 and name   HN) (resid  71 and name   HB)  2.96  1.26  1.26
assign (resid  37 and name   HN) (resid  71 and name   HA)  3.39  1.69  1.69
assign (resid  38 and name   HN) (resid  71 and name   HN)  3.51  1.81  1.81
assign (resid  38 and name   HN) (resid  71 and name   HB)  3.64  1.94  1.94
assign (resid  38 and name   HN) (resid  72 and name HG2*)  3.73  2.03  2.02
assign (resid  44 and name   HN) (resid  36 and name HD1*)  3.85  2.15  2.15
assign (resid  45 and name   HN) (resid  77 and name  HE*)  3.83  2.13  2.13
assign (resid  70 and name   HN) (resid  38 and name HG2*)  3.69  1.99  1.99
assign (resid  71 and name   HN) (resid  37 and name   HA)  3.60  1.91  1.90
assign (resid  71 and name   HN) (resid  65 and name  HB*)  3.45  1.75  1.75
assign (resid  72 and name   HN) (resid  36 and name HG2*)  3.85  2.15  2.15
assign (resid  72 and name   HN) (resid  36 and name HD1*)  3.85  2.15  2.15
assign (resid  72 and name   HN) (resid  35 and name  HB*)  3.07  1.37  1.37
assign (resid  72 and name   HN) (resid  37 and name   HA)  3.02  1.32  1.32
assign (resid  74 and name   HN) (resid  24 and name  HE*)  3.19  1.49  1.49
assign (resid  74 and name   HN) (resid  24 and name   HZ)  2.79  1.09  1.08


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1           HT1      MET   1  88.305   5.812   6.874
    2   2H    MET   1           HT3      MET   1  89.184   7.245   6.645
    3   3H    MET   1           HT2      MET   1  88.489   6.455   5.311
    4    HA   MET   1           HA       MET   1  90.672   5.772   5.116
    5   1HB   MET   1           HB2      MET   1  92.053   5.425   7.131
    6   2HB   MET   1           HB1      MET   1  91.261   7.000   7.193
    7   1HG   MET   1           HG2      MET   1  89.364   5.624   8.439
    8   2HG   MET   1           HG1      MET   1  90.705   4.535   8.797
    9   1HE   MET   1           HE2      MET   1  92.717   5.034   9.500
   10   2HE   MET   1           HE1      MET   1  93.395   6.635   9.786
   11   3HE   MET   1           HE3      MET   1  92.761   5.685  11.137
   12    H    ASP   2           HN       ASP   2  87.985   4.326   5.631
   13    HA   ASP   2           HA       ASP   2  89.113   1.605   5.538
   14   1HB   ASP   2           HB2      ASP   2  88.757   2.448   7.983
   15   2HB   ASP   2           HB1      ASP   2  87.041   2.224   7.639
   16    H    ASP   3           HN       ASP   3  86.207   3.661   5.677
   17    HA   ASP   3           HA       ASP   3  84.155   3.488   4.516
   18   1HB   ASP   3           HB2      ASP   3  86.302   3.040   2.810
   19   2HB   ASP   3           HB1      ASP   3  85.235   1.675   2.479
   20    H    ILE   4           HN       ILE   4  82.714   2.230   5.685
   21    HA   ILE   4           HA       ILE   4  83.103  -0.722   5.769
   22    HB   ILE   4           HB       ILE   4  81.630  -0.623   7.645
   23   1HG1  ILE   4          HG12      ILE   4  80.880   2.149   6.658
   24   2HG1  ILE   4          HG11      ILE   4  79.851   0.715   6.618
   25   1HG2  ILE   4          HG23      ILE   4  83.938   0.756   7.640
   26   2HG2  ILE   4          HG22      ILE   4  82.828   2.080   7.996
   27   3HG2  ILE   4          HG21      ILE   4  82.893   0.674   9.059
   28   1HD1  ILE   4          HD11      ILE   4  81.027   1.546   9.242
   29   2HD1  ILE   4          HD13      ILE   4  79.661   2.464   8.607
   30   3HD1  ILE   4          HD12      ILE   4  79.497   0.734   8.907
   31    H    TYR   5           HN       TYR   5  81.175   1.717   4.235
   32    HA   TYR   5           HA       TYR   5  78.852   0.078   3.644
   33   1HB   TYR   5           HB2      TYR   5  79.927   2.508   2.184
   34   2HB   TYR   5           HB1      TYR   5  78.250   1.970   2.265
   35    HD1  TYR   5           HD2      TYR   5  78.553   1.131   5.296
   36    HD2  TYR   5           HD1      TYR   5  79.373   4.728   3.096
   37    HE1  TYR   5           HE2      TYR   5  78.219   2.468   7.358
   38    HE2  TYR   5           HE1      TYR   5  79.040   6.065   5.157
   39    HH   TYR   5           HH       TYR   5  78.378   4.490   8.281
   40    H    LYS   6           HN       LYS   6  82.027   0.403   2.250
   41    HA   LYS   6           HA       LYS   6  81.460  -0.434  -0.435
   42   1HB   LYS   6           HB2      LYS   6  83.628   0.392   1.079
   43   2HB   LYS   6           HB1      LYS   6  84.018  -1.291   0.726
   44   1HG   LYS   6           HG2      LYS   6  83.263   0.819  -1.318
   45   2HG   LYS   6           HG1      LYS   6  84.882   0.175  -1.048
   46   1HD   LYS   6           HD2      LYS   6  84.426  -1.493  -2.485
   47   2HD   LYS   6           HD1      LYS   6  83.163  -2.057  -1.390
   48   1HE   LYS   6           HE2      LYS   6  81.578  -0.425  -2.451
   49   2HE   LYS   6           HE1      LYS   6  82.844  -0.028  -3.629
   50   1HZ   LYS   6           HZ1      LYS   6  83.006  -2.395  -4.169
   51   2HZ   LYS   6           HZ3      LYS   6  81.736  -2.735  -3.098
   52   3HZ   LYS   6           HZ2      LYS   6  81.449  -1.796  -4.485
   53    H    ALA   7           HN       ALA   7  82.285  -2.259   2.519
   54    HA   ALA   7           HA       ALA   7  82.311  -4.844   1.187
   55   1HB   ALA   7           HB2      ALA   7  82.194  -3.876   4.054
   56   2HB   ALA   7           HB1      ALA   7  82.260  -5.589   3.638
   57   3HB   ALA   7           HB3      ALA   7  83.589  -4.520   3.189
   58    H    ALA   8           HN       ALA   8  79.869  -2.857   2.762
   59    HA   ALA   8           HA       ALA   8  77.856  -4.669   3.419
   60   1HB   ALA   8           HB1      ALA   8  78.116  -1.876   2.585
   61   2HB   ALA   8           HB3      ALA   8  76.553  -2.561   2.144
   62   3HB   ALA   8           HB2      ALA   8  77.079  -2.576   3.827
   63    H    VAL   9           HN       VAL   9  78.465  -3.259   0.183
   64    HA   VAL   9           HA       VAL   9  76.464  -5.023  -1.059
   65    HB   VAL   9           HB       VAL   9  78.485  -3.025  -2.128
   66   1HG1  VAL   9          HG12      VAL   9  76.148  -4.392  -3.499
   67   2HG1  VAL   9          HG11      VAL   9  77.133  -3.109  -4.201
   68   3HG1  VAL   9          HG13      VAL   9  77.854  -4.677  -3.842
   69   1HG2  VAL   9          HG22      VAL   9  75.605  -2.890  -1.265
   70   2HG2  VAL   9          HG21      VAL   9  76.925  -1.778  -0.901
   71   3HG2  VAL   9          HG23      VAL   9  76.199  -1.790  -2.509
   72    H    GLU  10           HN       GLU  10  79.824  -5.142  -0.305
   73    HA   GLU  10           HA       GLU  10  80.592  -6.963  -2.473
   74   1HB   GLU  10           HB2      GLU  10  81.847  -5.250  -0.690
   75   2HB   GLU  10           HB1      GLU  10  82.253  -6.843  -0.051
   76   1HG   GLU  10           HG2      GLU  10  82.785  -7.409  -2.561
   77   2HG   GLU  10           HG1      GLU  10  82.912  -5.658  -2.731
   78    H    GLN  11           HN       GLN  11  79.105  -7.251   0.633
   79    HA   GLN  11           HA       GLN  11  79.943 -10.051   1.054
   80   1HB   GLN  11           HB2      GLN  11  78.485  -7.886   2.481
   81   2HB   GLN  11           HB1      GLN  11  78.027  -9.537   2.901
   82   1HG   GLN  11           HG2      GLN  11  80.414 -10.076   3.316
   83   2HG   GLN  11           HG1      GLN  11  80.837  -8.401   2.959
   84   1HE2  GLN  11          HE22      GLN  11  78.455  -8.883   6.277
   85   2HE2  GLN  11          HE21      GLN  11  78.073  -9.726   4.854
   86    H    LEU  12           HN       LEU  12  77.222  -8.267  -0.261
   87    HA   LEU  12           HA       LEU  12  75.342 -10.499  -0.176
   88   1HB   LEU  12           HB2      LEU  12  75.363  -7.942  -1.812
   89   2HB   LEU  12           HB1      LEU  12  73.954  -8.943  -1.457
   90    HG   LEU  12           HG       LEU  12  75.650  -7.705   0.718
   91   1HD1  LEU  12          HD13      LEU  12  74.707  -5.927  -0.737
   92   2HD1  LEU  12          HD12      LEU  12  73.100  -6.620  -0.518
   93   3HD1  LEU  12          HD11      LEU  12  73.958  -5.931   0.860
   94   1HD2  LEU  12          HD22      LEU  12  73.954  -9.706   0.998
   95   2HD2  LEU  12          HD21      LEU  12  73.943  -8.382   2.165
   96   3HD2  LEU  12          HD23      LEU  12  72.737  -8.433   0.878
   97    H    THR  13           HN       THR  13  75.252 -12.155  -1.640
   98    HA   THR  13           HA       THR  13  77.051 -12.127  -3.981
   99    HB   THR  13           HB       THR  13  76.570 -14.473  -4.020
  100    HG1  THR  13           HG1      THR  13  74.529 -14.241  -2.135
  101   1HG2  THR  13          HG22      THR  13  77.565 -13.274  -1.801
  102   2HG2  THR  13          HG21      THR  13  76.191 -14.130  -1.102
  103   3HG2  THR  13          HG23      THR  13  77.433 -15.023  -1.980
  104    H    GLU  14           HN       GLU  14  76.287 -12.349  -6.156
  105    HA   GLU  14           HA       GLU  14  74.164 -10.840  -7.072
  106   1HB   GLU  14           HB2      GLU  14  75.906 -12.935  -8.026
  107   2HB   GLU  14           HB1      GLU  14  74.301 -13.143  -8.725
  108   1HG   GLU  14           HG2      GLU  14  74.304 -10.919  -9.621
  109   2HG   GLU  14           HG1      GLU  14  75.743 -10.483  -8.699
  110    H    GLU  15           HN       GLU  15  74.024 -14.229  -5.985
  111    HA   GLU  15           HA       GLU  15  71.307 -14.753  -6.704
  112   1HB   GLU  15           HB2      GLU  15  73.453 -16.078  -5.568
  113   2HB   GLU  15           HB1      GLU  15  72.305 -15.995  -4.232
  114   1HG   GLU  15           HG2      GLU  15  71.833 -17.159  -6.988
  115   2HG   GLU  15           HG1      GLU  15  71.825 -18.018  -5.446
  116    H    GLN  16           HN       GLN  16  72.740 -13.008  -4.018
  117    HA   GLN  16           HA       GLN  16  70.265 -12.975  -2.428
  118   1HB   GLN  16           HB2      GLN  16  73.081 -12.370  -2.157
  119   2HB   GLN  16           HB1      GLN  16  72.116 -11.020  -1.560
  120   1HG   GLN  16           HG2      GLN  16  70.774 -13.228  -0.563
  121   2HG   GLN  16           HG1      GLN  16  72.468 -13.698  -0.426
  122   1HE2  GLN  16          HE22      GLN  16  72.427 -11.889   2.630
  123   2HE2  GLN  16          HE21      GLN  16  72.506 -13.425   1.912
  124    H    LYS  17           HN       LYS  17  72.253 -10.466  -4.057
  125    HA   LYS  17           HA       LYS  17  70.609  -8.241  -3.757
  126   1HB   LYS  17           HB2      LYS  17  72.814  -9.047  -5.289
  127   2HB   LYS  17           HB1      LYS  17  71.631  -8.495  -6.475
  128   1HG   LYS  17           HG2      LYS  17  72.213  -6.378  -5.978
  129   2HG   LYS  17           HG1      LYS  17  71.526  -6.623  -4.371
  130   1HD   LYS  17           HD2      LYS  17  73.878  -5.873  -4.232
  131   2HD   LYS  17           HD1      LYS  17  73.684  -7.496  -3.568
  132   1HE   LYS  17           HE2      LYS  17  74.714  -8.517  -5.427
  133   2HE   LYS  17           HE1      LYS  17  74.444  -7.103  -6.467
  134   1HZ   LYS  17           HZ2      LYS  17  75.805  -5.964  -4.522
  135   2HZ   LYS  17           HZ1      LYS  17  76.463  -7.526  -4.398
  136   3HZ   LYS  17           HZ3      LYS  17  76.576  -6.674  -5.859
  137    H    ASN  18           HN       ASN  18  70.327 -10.777  -6.264
  138    HA   ASN  18           HA       ASN  18  68.250  -9.786  -7.831
  139   1HB   ASN  18           HB2      ASN  18  69.373 -12.369  -7.043
  140   2HB   ASN  18           HB1      ASN  18  67.661 -12.488  -7.450
  141   1HD2  ASN  18          HD22      ASN  18  70.354 -11.472 -10.374
  142   2HD2  ASN  18          HD21      ASN  18  70.811 -11.375  -8.742
  143    H    GLU  19           HN       GLU  19  68.021 -11.272  -4.609
  144    HA   GLU  19           HA       GLU  19  65.228 -11.596  -4.393
  145   1HB   GLU  19           HB2      GLU  19  67.396 -11.944  -2.809
  146   2HB   GLU  19           HB1      GLU  19  66.723 -10.490  -2.069
  147   1HG   GLU  19           HG2      GLU  19  65.612 -12.193  -0.907
  148   2HG   GLU  19           HG1      GLU  19  64.458 -11.795  -2.180
  149    H    PHE  20           HN       PHE  20  67.186  -8.707  -3.576
  150    HA   PHE  20           HA       PHE  20  64.936  -7.044  -2.889
  151   1HB   PHE  20           HB2      PHE  20  67.846  -6.731  -3.531
  152   2HB   PHE  20           HB1      PHE  20  66.844  -5.281  -3.492
  153    HD1  PHE  20           HD2      PHE  20  64.892  -5.887  -1.392
  154    HD2  PHE  20           HD1      PHE  20  69.105  -6.710  -1.546
  155    HE1  PHE  20           HE2      PHE  20  64.982  -5.889   1.087
  156    HE2  PHE  20           HE1      PHE  20  69.194  -6.712   0.932
  157    HZ   PHE  20           HZ       PHE  20  67.133  -6.302   2.248
  158    H    LYS  21           HN       LYS  21  66.765  -7.561  -5.899
  159    HA   LYS  21           HA       LYS  21  65.784  -5.524  -7.535
  160   1HB   LYS  21           HB2      LYS  21  67.460  -7.246  -8.137
  161   2HB   LYS  21           HB1      LYS  21  66.184  -8.463  -8.186
  162   1HG   LYS  21           HG2      LYS  21  65.311  -6.298  -9.800
  163   2HG   LYS  21           HG1      LYS  21  66.985  -6.628 -10.249
  164   1HD   LYS  21           HD2      LYS  21  65.589  -9.119  -9.878
  165   2HD   LYS  21           HD1      LYS  21  64.682  -8.099 -10.996
  166   1HE   LYS  21           HE2      LYS  21  67.159  -7.681 -11.979
  167   2HE   LYS  21           HE1      LYS  21  67.383  -9.314 -11.321
  168   1HZ   LYS  21           HZ2      LYS  21  65.083  -8.496 -13.014
  169   2HZ   LYS  21           HZ1      LYS  21  66.458  -9.299 -13.608
  170   3HZ   LYS  21           HZ3      LYS  21  65.449 -10.068 -12.482
  171    H    ALA  22           HN       ALA  22  64.211  -8.649  -6.797
  172    HA   ALA  22           HA       ALA  22  61.907  -8.305  -8.445
  173   1HB   ALA  22           HB1      ALA  22  62.938 -10.057  -6.397
  174   2HB   ALA  22           HB3      ALA  22  61.229  -9.748  -6.098
  175   3HB   ALA  22           HB2      ALA  22  61.746 -10.412  -7.647
  176    H    ALA  23           HN       ALA  23  62.582  -7.294  -5.097
  177    HA   ALA  23           HA       ALA  23  59.870  -6.185  -4.763
  178   1HB   ALA  23           HB1      ALA  23  62.059  -7.068  -3.153
  179   2HB   ALA  23           HB3      ALA  23  61.733  -5.385  -2.738
  180   3HB   ALA  23           HB2      ALA  23  60.448  -6.587  -2.620
  181    H    PHE  24           HN       PHE  24  63.213  -4.947  -5.068
  182    HA   PHE  24           HA       PHE  24  62.838  -2.216  -4.697
  183   1HB   PHE  24           HB2      PHE  24  64.956  -3.433  -5.220
  184   2HB   PHE  24           HB1      PHE  24  64.427  -3.578  -6.897
  185    HD1  PHE  24           HD2      PHE  24  65.492  -1.224  -4.257
  186    HD2  PHE  24           HD1      PHE  24  64.422  -1.677  -8.389
  187    HE1  PHE  24           HE2      PHE  24  66.367   1.049  -4.731
  188    HE2  PHE  24           HE1      PHE  24  65.296   0.594  -8.867
  189    HZ   PHE  24           HZ       PHE  24  66.269   1.958  -7.037
  190    H    ASP  25           HN       ASP  25  62.432  -3.958  -7.806
  191    HA   ASP  25           HA       ASP  25  61.534  -1.804  -9.386
  192   1HB   ASP  25           HB2      ASP  25  60.912  -4.767  -9.354
  193   2HB   ASP  25           HB1      ASP  25  60.395  -3.702 -10.663
  194    H    ILE  26           HN       ILE  26  59.906  -3.385  -6.767
  195    HA   ILE  26           HA       ILE  26  57.176  -3.024  -7.521
  196    HB   ILE  26           HB       ILE  26  58.519  -2.893  -4.802
  197   1HG1  ILE  26          HG12      ILE  26  59.039  -4.934  -6.167
  198   2HG1  ILE  26          HG11      ILE  26  58.118  -5.296  -4.707
  199   1HG2  ILE  26          HG23      ILE  26  55.960  -2.225  -5.295
  200   2HG2  ILE  26          HG22      ILE  26  55.772  -3.974  -5.192
  201   3HG2  ILE  26          HG21      ILE  26  56.447  -3.079  -3.832
  202   1HD1  ILE  26          HD11      ILE  26  56.423  -4.670  -7.020
  203   2HD1  ILE  26          HD13      ILE  26  57.433  -6.096  -7.261
  204   3HD1  ILE  26          HD12      ILE  26  56.328  -6.020  -5.890
  205    H    PHE  27           HN       PHE  27  59.609  -0.727  -6.574
  206    HA   PHE  27           HA       PHE  27  57.578   1.445  -6.750
  207   1HB   PHE  27           HB2      PHE  27  59.413   0.780  -4.446
  208   2HB   PHE  27           HB1      PHE  27  58.765   2.407  -4.661
  209    HD1  PHE  27           HD1      PHE  27  56.175   2.573  -5.048
  210    HD2  PHE  27           HD2      PHE  27  58.145  -0.816  -3.292
  211    HE1  PHE  27           HE1      PHE  27  54.032   1.858  -4.023
  212    HE2  PHE  27           HE2      PHE  27  56.003  -1.530  -2.267
  213    HZ   PHE  27           HZ       PHE  27  53.946  -0.193  -2.632
  214    H    VAL  28           HN       VAL  28  59.141   1.170  -8.855
  215    HA   VAL  28           HA       VAL  28  61.406   3.104  -8.462
  216    HB   VAL  28           HB       VAL  28  61.218   0.901 -10.536
  217   1HG1  VAL  28          HG12      VAL  28  63.481   2.589  -9.431
  218   2HG1  VAL  28          HG11      VAL  28  63.714   1.216 -10.513
  219   3HG1  VAL  28          HG13      VAL  28  62.825   2.634 -11.069
  220   1HG2  VAL  28          HG21      VAL  28  62.485   0.842  -7.779
  221   2HG2  VAL  28          HG23      VAL  28  61.130  -0.144  -8.329
  222   3HG2  VAL  28          HG22      VAL  28  62.735  -0.384  -9.022
  223    H    LEU  29           HN       LEU  29  58.421   3.228  -9.378
  224    HA   LEU  29           HA       LEU  29  58.266   3.858 -12.141
  225   1HB   LEU  29           HB2      LEU  29  56.255   5.189 -11.323
  226   2HB   LEU  29           HB1      LEU  29  56.311   3.515 -10.772
  227    HG   LEU  29           HG       LEU  29  57.755   5.322  -8.985
  228   1HD1  LEU  29          HD12      LEU  29  55.742   6.690  -9.983
  229   2HD1  LEU  29          HD11      LEU  29  54.769   5.652  -8.940
  230   3HD1  LEU  29          HD13      LEU  29  56.012   6.688  -8.240
  231   1HD2  LEU  29          HD21      LEU  29  56.576   2.855  -8.852
  232   2HD2  LEU  29          HD23      LEU  29  56.997   3.826  -7.441
  233   3HD2  LEU  29          HD22      LEU  29  55.352   3.860  -8.075
  234    H    GLY  30           HN       GLY  30  59.895   5.230 -12.922
  235   1HA   GLY  30           HA2      GLY  30  60.500   7.478 -13.521
  236   2HA   GLY  30           HA1      GLY  30  59.715   8.054 -12.049
  237    H    ALA  31           HN       ALA  31  61.448   9.175 -11.149
  238    HA   ALA  31           HA       ALA  31  63.491   9.451  -9.993
  239   1HB   ALA  31           HB2      ALA  31  62.225   7.401  -8.932
  240   2HB   ALA  31           HB1      ALA  31  63.513   6.459  -9.683
  241   3HB   ALA  31           HB3      ALA  31  63.906   7.699  -8.492
  242    H    GLU  32           HN       GLU  32  64.256   9.806 -12.391
  243    HA   GLU  32           HA       GLU  32  66.086   9.566 -13.877
  244   1HB   GLU  32           HB2      GLU  32  66.883   8.632 -11.379
  245   2HB   GLU  32           HB1      GLU  32  67.300   7.306 -12.464
  246   1HG   GLU  32           HG2      GLU  32  68.137  10.206 -12.755
  247   2HG   GLU  32           HG1      GLU  32  69.184   8.845 -12.348
  248    H    ASP  33           HN       ASP  33  65.670   6.225 -12.654
  249    HA   ASP  33           HA       ASP  33  64.197   5.294 -14.960
  250   1HB   ASP  33           HB2      ASP  33  66.744   5.933 -15.575
  251   2HB   ASP  33           HB1      ASP  33  66.998   4.277 -15.024
  252    H    GLY  34           HN       GLY  34  66.625   4.388 -12.498
  253   1HA   GLY  34           HA2      GLY  34  64.898   2.041 -11.833
  254   2HA   GLY  34           HA1      GLY  34  66.648   1.855 -11.963
  255    H    CYS  35           HN       CYS  35  64.681   4.440 -10.476
  256    HA   CYS  35           HA       CYS  35  66.010   3.801  -7.863
  257   1HB   CYS  35           HB2      CYS  35  65.383   6.556  -8.965
  258   2HB   CYS  35           HB1      CYS  35  66.367   6.169  -7.554
  259    HG   CYS  35           HG       CYS  35  67.514   6.449 -10.223
  260    H    ILE  36           HN       ILE  36  64.711   4.391  -5.982
  261    HA   ILE  36           HA       ILE  36  61.787   4.581  -6.613
  262    HB   ILE  36           HB       ILE  36  61.480   3.355  -4.550
  263   1HG1  ILE  36          HG12      ILE  36  64.472   3.609  -4.128
  264   2HG1  ILE  36          HG11      ILE  36  63.276   4.613  -3.309
  265   1HG2  ILE  36          HG23      ILE  36  62.888   2.371  -6.744
  266   2HG2  ILE  36          HG22      ILE  36  63.838   1.833  -5.358
  267   3HG2  ILE  36          HG21      ILE  36  62.133   1.401  -5.479
  268   1HD1  ILE  36          HD11      ILE  36  62.185   2.373  -2.598
  269   2HD1  ILE  36          HD13      ILE  36  63.725   1.643  -3.051
  270   3HD1  ILE  36          HD12      ILE  36  63.667   2.861  -1.778
  271    H    SER  37           HN       SER  37  60.546   5.662  -4.708
  272    HA   SER  37           HA       SER  37  61.804   8.291  -4.199
  273   1HB   SER  37           HB2      SER  37  59.644   8.800  -4.663
  274   2HB   SER  37           HB1      SER  37  59.154   7.116  -4.494
  275    HG   SER  37           HG       SER  37  58.364   8.843  -2.929
  276    H    THR  38           HN       THR  38  62.545   8.919  -2.190
  277    HA   THR  38           HA       THR  38  63.204   7.160  -0.125
  278    HB   THR  38           HB       THR  38  63.267   9.275   1.253
  279    HG1  THR  38           HG1      THR  38  61.409  10.215   0.298
  280   1HG2  THR  38          HG23      THR  38  64.599   8.707  -1.253
  281   2HG2  THR  38          HG22      THR  38  64.478  10.447  -1.000
  282   3HG2  THR  38          HG21      THR  38  65.256   9.431   0.214
  283    H    LYS  39           HN       LYS  39  60.082   8.519  -0.875
  284    HA   LYS  39           HA       LYS  39  58.918   7.986   1.767
  285   1HB   LYS  39           HB2      LYS  39  58.375   9.644  -0.343
  286   2HB   LYS  39           HB1      LYS  39  57.190   8.363  -0.606
  287   1HG   LYS  39           HG2      LYS  39  56.405   8.608   1.721
  288   2HG   LYS  39           HG1      LYS  39  57.584   9.894   1.982
  289   1HD   LYS  39           HD2      LYS  39  55.734  10.166  -0.347
  290   2HD   LYS  39           HD1      LYS  39  55.067  10.435   1.264
  291   1HE   LYS  39           HE2      LYS  39  56.828  12.111   1.724
  292   2HE   LYS  39           HE1      LYS  39  57.495  11.848   0.099
  293   1HZ   LYS  39           HZ2      LYS  39  55.006  12.206  -0.575
  294   2HZ   LYS  39           HZ1      LYS  39  54.949  13.076   0.883
  295   3HZ   LYS  39           HZ3      LYS  39  56.035  13.536  -0.335
  296    H    GLU  40           HN       GLU  40  59.538   6.179  -1.102
  297    HA   GLU  40           HA       GLU  40  57.360   4.235  -0.657
  298   1HB   GLU  40           HB2      GLU  40  59.725   4.264  -2.562
  299   2HB   GLU  40           HB1      GLU  40  58.310   3.219  -2.685
  300   1HG   GLU  40           HG2      GLU  40  58.299   6.248  -2.847
  301   2HG   GLU  40           HG1      GLU  40  58.078   5.138  -4.200
  302    H    LEU  41           HN       LEU  41  60.863   4.488  -0.170
  303    HA   LEU  41           HA       LEU  41  61.712   1.913   0.302
  304   1HB   LEU  41           HB2      LEU  41  62.636   4.419   0.791
  305   2HB   LEU  41           HB1      LEU  41  62.338   3.877   2.443
  306    HG   LEU  41           HG       LEU  41  64.067   2.508   0.364
  307   1HD1  LEU  41          HD11      LEU  41  64.758   4.568   1.946
  308   2HD1  LEU  41          HD13      LEU  41  65.006   3.251   3.093
  309   3HD1  LEU  41          HD12      LEU  41  65.881   3.264   1.562
  310   1HD2  LEU  41          HD21      LEU  41  62.744   1.518   2.812
  311   2HD2  LEU  41          HD23      LEU  41  63.406   0.616   1.449
  312   3HD2  LEU  41          HD22      LEU  41  64.474   1.185   2.732
  313    H    GLY  42           HN       GLY  42  59.652   3.850   2.461
  314   1HA   GLY  42           HA2      GLY  42  59.637   2.263   4.758
  315   2HA   GLY  42           HA1      GLY  42  58.217   3.139   4.185
  316    H    LYS  43           HN       LYS  43  57.165   1.965   2.176
  317    HA   LYS  43           HA       LYS  43  56.113  -0.524   3.035
  318   1HB   LYS  43           HB2      LYS  43  55.840   1.339   0.913
  319   2HB   LYS  43           HB1      LYS  43  56.067  -0.244   0.166
  320   1HG   LYS  43           HG2      LYS  43  54.006  -0.918   0.783
  321   2HG   LYS  43           HG1      LYS  43  54.274  -0.406   2.449
  322   1HD   LYS  43           HD2      LYS  43  52.944   1.377   2.123
  323   2HD   LYS  43           HD1      LYS  43  54.007   1.938   0.831
  324   1HE   LYS  43           HE2      LYS  43  52.310   1.516  -0.615
  325   2HE   LYS  43           HE1      LYS  43  52.548  -0.212  -0.279
  326   1HZ   LYS  43           HZ1      LYS  43  51.035   1.527   1.573
  327   2HZ   LYS  43           HZ3      LYS  43  50.271   0.778   0.258
  328   3HZ   LYS  43           HZ2      LYS  43  51.015  -0.168   1.457
  329    H    VAL  44           HN       VAL  44  58.961   0.209   1.080
  330    HA   VAL  44           HA       VAL  44  59.360  -2.506   0.120
  331    HB   VAL  44           HB       VAL  44  60.959   0.050   0.271
  332   1HG1  VAL  44          HG11      VAL  44  62.546  -1.821   0.556
  333   2HG1  VAL  44          HG13      VAL  44  61.877  -2.606  -0.876
  334   3HG1  VAL  44          HG12      VAL  44  62.730  -1.070  -1.029
  335   1HG2  VAL  44          HG23      VAL  44  59.545  -1.564  -1.840
  336   2HG2  VAL  44          HG22      VAL  44  59.408   0.158  -1.484
  337   3HG2  VAL  44          HG21      VAL  44  60.844  -0.462  -2.297
  338    H    MET  45           HN       MET  45  60.398  -0.660   2.949
  339    HA   MET  45           HA       MET  45  62.450  -2.515   3.810
  340   1HB   MET  45           HB2      MET  45  61.022  -0.108   4.762
  341   2HB   MET  45           HB1      MET  45  61.621  -1.161   6.044
  342   1HG   MET  45           HG2      MET  45  63.380  -0.349   3.729
  343   2HG   MET  45           HG1      MET  45  63.227   0.661   5.167
  344   1HE   MET  45           HE3      MET  45  65.624   0.378   4.701
  345   2HE   MET  45           HE2      MET  45  66.595  -0.605   5.794
  346   3HE   MET  45           HE1      MET  45  66.218  -1.204   4.181
  347    H    ARG  46           HN       ARG  46  59.035  -2.015   4.757
  348    HA   ARG  46           HA       ARG  46  59.067  -4.294   6.599
  349   1HB   ARG  46           HB2      ARG  46  56.673  -3.683   6.817
  350   2HB   ARG  46           HB1      ARG  46  57.709  -2.261   6.946
  351   1HG   ARG  46           HG2      ARG  46  56.741  -1.318   5.148
  352   2HG   ARG  46           HG1      ARG  46  57.041  -2.760   4.177
  353   1HD   ARG  46           HD2      ARG  46  54.936  -3.373   6.024
  354   2HD   ARG  46           HD1      ARG  46  54.536  -1.851   5.200
  355    HE   ARG  46           HE       ARG  46  55.589  -3.990   3.465
  356   1HH1  ARG  46          HH11      ARG  46  54.265  -2.624   1.670
  357   2HH1  ARG  46          HH12      ARG  46  52.573  -2.980   1.782
  358   1HH2  ARG  46          HH21      ARG  46  52.802  -4.334   4.967
  359   2HH2  ARG  46          HH22      ARG  46  51.745  -3.948   3.650
  360    H    MET  47           HN       MET  47  59.029  -4.105   3.276
  361    HA   MET  47           HA       MET  47  56.959  -6.039   2.631
  362   1HB   MET  47           HB2      MET  47  59.152  -4.540   1.318
  363   2HB   MET  47           HB1      MET  47  58.706  -6.058   0.538
  364   1HG   MET  47           HG2      MET  47  56.527  -4.188   1.399
  365   2HG   MET  47           HG1      MET  47  57.430  -3.820  -0.071
  366   1HE   MET  47           HE3      MET  47  57.300  -4.484  -1.913
  367   2HE   MET  47           HE2      MET  47  57.340  -6.189  -2.353
  368   3HE   MET  47           HE1      MET  47  55.869  -5.256  -2.608
  369    H    LEU  48           HN       LEU  48  60.443  -6.216   3.303
  370    HA   LEU  48           HA       LEU  48  60.422  -9.154   2.830
  371   1HB   LEU  48           HB2      LEU  48  62.327  -6.931   2.789
  372   2HB   LEU  48           HB1      LEU  48  62.956  -8.336   3.651
  373    HG   LEU  48           HG       LEU  48  61.978  -9.651   1.573
  374   1HD1  LEU  48          HD12      LEU  48  62.109  -6.787   0.705
  375   2HD1  LEU  48          HD11      LEU  48  62.568  -8.036  -0.451
  376   3HD1  LEU  48          HD13      LEU  48  60.952  -8.040   0.255
  377   1HD2  LEU  48          HD23      LEU  48  64.543  -8.075   1.770
  378   2HD2  LEU  48          HD22      LEU  48  64.294  -9.804   2.007
  379   3HD2  LEU  48          HD21      LEU  48  64.227  -9.118   0.384
  380    H    GLY  49           HN       GLY  49  60.349  -6.823   5.405
  381   1HA   GLY  49           HA2      GLY  49  59.541  -8.256   7.512
  382   2HA   GLY  49           HA1      GLY  49  61.211  -8.815   7.421
  383    H    GLN  50           HN       GLN  50  62.735  -6.706   6.987
  384    HA   GLN  50           HA       GLN  50  63.057  -5.318   9.355
  385   1HB   GLN  50           HB2      GLN  50  63.549  -4.589   6.466
  386   2HB   GLN  50           HB1      GLN  50  64.066  -3.526   7.774
  387   1HG   GLN  50           HG2      GLN  50  64.766  -6.422   7.988
  388   2HG   GLN  50           HG1      GLN  50  65.664  -5.445   6.825
  389   1HE2  GLN  50          HE22      GLN  50  67.428  -3.624   9.304
  390   2HE2  GLN  50          HE21      GLN  50  67.066  -3.763   7.651
  391    H    ASN  51           HN       ASN  51  61.701  -3.969  10.463
  392    HA   ASN  51           HA       ASN  51  59.798  -2.261   8.886
  393   1HB   ASN  51           HB2      ASN  51  58.222  -2.625  10.726
  394   2HB   ASN  51           HB1      ASN  51  58.792  -4.186  10.133
  395   1HD2  ASN  51          HD22      ASN  51  59.453  -3.199  13.973
  396   2HD2  ASN  51          HD21      ASN  51  58.441  -2.295  12.953
  397    HA   PRO  52           HA       PRO  52  62.582   0.254  11.687
  398   1HB   PRO  52           HB2      PRO  52  63.719   1.791   9.730
  399   2HB   PRO  52           HB1      PRO  52  64.397   0.237  10.253
  400   1HG   PRO  52           HG2      PRO  52  62.778   0.882   7.846
  401   2HG   PRO  52           HG1      PRO  52  64.127  -0.249   8.032
  402   1HD   PRO  52           HD2      PRO  52  61.490  -1.000   7.952
  403   2HD   PRO  52           HD1      PRO  52  62.774  -1.944   8.739
  404    H    THR  53           HN       THR  53  62.418   2.669  11.968
  405    HA   THR  53           HA       THR  53  59.710   3.606  11.271
  406    HB   THR  53           HB       THR  53  60.714   3.806  13.539
  407    HG1  THR  53           HG1      THR  53  59.349   5.400  13.460
  408   1HG2  THR  53          HG23      THR  53  62.760   5.352  11.975
  409   2HG2  THR  53          HG22      THR  53  62.467   5.747  13.669
  410   3HG2  THR  53          HG21      THR  53  63.005   4.128  13.222
  411    HA   PRO  54           HA       PRO  54  60.985   6.161   7.925
  412   1HB   PRO  54           HB2      PRO  54  59.077   8.119   8.077
  413   2HB   PRO  54           HB1      PRO  54  58.737   6.480   7.482
  414   1HG   PRO  54           HG2      PRO  54  58.184   7.679  10.149
  415   2HG   PRO  54           HG1      PRO  54  57.205   6.559   9.189
  416   1HD   PRO  54           HD2      PRO  54  58.727   5.789  11.318
  417   2HD   PRO  54           HD1      PRO  54  58.321   4.718   9.960
  418    H    GLU  55           HN       GLU  55  60.625   7.492  11.151
  419    HA   GLU  55           HA       GLU  55  61.665  10.120  10.696
  420   1HB   GLU  55           HB2      GLU  55  61.257   8.222  12.955
  421   2HB   GLU  55           HB1      GLU  55  62.382   9.551  13.241
  422   1HG   GLU  55           HG2      GLU  55  60.739  11.138  13.157
  423   2HG   GLU  55           HG1      GLU  55  59.836  10.284  11.906
  424    H    GLU  56           HN       GLU  56  63.241   6.989  11.175
  425    HA   GLU  56           HA       GLU  56  65.920   8.231  11.365
  426   1HB   GLU  56           HB2      GLU  56  64.610   5.792  12.105
  427   2HB   GLU  56           HB1      GLU  56  65.974   5.390  11.062
  428   1HG   GLU  56           HG2      GLU  56  67.115   7.278  12.653
  429   2HG   GLU  56           HG1      GLU  56  65.960   6.566  13.780
  430    H    LEU  57           HN       LEU  57  63.944   6.434   9.040
  431    HA   LEU  57           HA       LEU  57  66.009   5.879   7.124
  432   1HB   LEU  57           HB2      LEU  57  63.002   6.211   7.016
  433   2HB   LEU  57           HB1      LEU  57  63.944   5.728   5.605
  434    HG   LEU  57           HG       LEU  57  64.289   4.266   8.211
  435   1HD1  LEU  57          HD13      LEU  57  61.836   4.447   6.763
  436   2HD1  LEU  57          HD12      LEU  57  62.511   2.843   6.475
  437   3HD1  LEU  57          HD11      LEU  57  62.218   3.393   8.125
  438   1HD2  LEU  57          HD22      LEU  57  65.010   3.952   5.363
  439   2HD2  LEU  57          HD21      LEU  57  65.817   3.330   6.803
  440   3HD2  LEU  57          HD23      LEU  57  64.424   2.479   6.135
  441    H    GLN  58           HN       GLN  58  63.702   8.596   7.428
  442    HA   GLN  58           HA       GLN  58  64.424   9.989   5.052
  443   1HB   GLN  58           HB2      GLN  58  62.623  10.263   7.071
  444   2HB   GLN  58           HB1      GLN  58  63.759  11.545   7.494
  445   1HG   GLN  58           HG2      GLN  58  62.335  12.675   6.037
  446   2HG   GLN  58           HG1      GLN  58  63.593  12.129   4.928
  447   1HE2  GLN  58          HE22      GLN  58  61.387  10.117   3.067
  448   2HE2  GLN  58          HE21      GLN  58  62.918  10.839   3.190
  449    H    GLU  59           HN       GLU  59  65.577  10.565   8.408
  450    HA   GLU  59           HA       GLU  59  67.474  12.555   7.934
  451   1HB   GLU  59           HB2      GLU  59  66.700  10.888   9.998
  452   2HB   GLU  59           HB1      GLU  59  68.375  10.405   9.730
  453   1HG   GLU  59           HG2      GLU  59  68.605  12.175  11.248
  454   2HG   GLU  59           HG1      GLU  59  68.847  12.976   9.695
  455    H    MET  60           HN       MET  60  68.112   9.023   7.877
  456    HA   MET  60           HA       MET  60  70.788   9.020   7.081
  457   1HB   MET  60           HB2      MET  60  68.408   7.278   6.810
  458   2HB   MET  60           HB1      MET  60  69.720   6.925   5.685
  459   1HG   MET  60           HG2      MET  60  71.284   6.977   7.703
  460   2HG   MET  60           HG1      MET  60  69.834   6.974   8.707
  461   1HE   MET  60           HE2      MET  60  68.410   5.431   9.153
  462   2HE   MET  60           HE1      MET  60  68.451   3.704   8.809
  463   3HE   MET  60           HE3      MET  60  69.673   4.429   9.864
  464    H    ILE  61           HN       ILE  61  67.950   8.993   4.884
  465    HA   ILE  61           HA       ILE  61  69.277   9.135   2.417
  466    HB   ILE  61           HB       ILE  61  66.688  10.242   3.503
  467   1HG1  ILE  61          HG12      ILE  61  66.670   8.318   1.292
  468   2HG1  ILE  61          HG11      ILE  61  67.530   7.717   2.710
  469   1HG2  ILE  61          HG23      ILE  61  67.494  11.707   1.630
  470   2HG2  ILE  61          HG22      ILE  61  67.544  10.281   0.594
  471   3HG2  ILE  61          HG21      ILE  61  66.006  10.842   1.250
  472   1HD1  ILE  61          HD12      ILE  61  65.169   9.030   3.625
  473   2HD1  ILE  61          HD11      ILE  61  64.704   7.939   2.320
  474   3HD1  ILE  61          HD13      ILE  61  65.566   7.316   3.726
  475    H    ASP  62           HN       ASP  62  68.277  11.872   4.507
  476    HA   ASP  62           HA       ASP  62  69.121  14.036   2.955
  477   1HB   ASP  62           HB2      ASP  62  68.340  13.494   5.598
  478   2HB   ASP  62           HB1      ASP  62  69.900  14.305   5.747
  479    H    GLU  63           HN       GLU  63  71.101  11.875   4.970
  480    HA   GLU  63           HA       GLU  63  73.572  13.367   4.388
  481   1HB   GLU  63           HB2      GLU  63  73.178  10.649   5.674
  482   2HB   GLU  63           HB1      GLU  63  74.548  11.739   5.883
  483   1HG   GLU  63           HG2      GLU  63  73.136  13.375   7.004
  484   2HG   GLU  63           HG1      GLU  63  71.702  12.397   6.695
  485    H    VAL  64           HN       VAL  64  71.806  10.638   3.108
  486    HA   VAL  64           HA       VAL  64  74.094   9.531   1.632
  487    HB   VAL  64           HB       VAL  64  71.111   9.017   1.742
  488   1HG1  VAL  64          HG13      VAL  64  72.021   8.524  -0.531
  489   2HG1  VAL  64          HG12      VAL  64  73.215   7.456   0.211
  490   3HG1  VAL  64          HG11      VAL  64  71.497   7.070   0.319
  491   1HG2  VAL  64          HG23      VAL  64  73.591   7.772   2.897
  492   2HG2  VAL  64          HG22      VAL  64  72.060   8.141   3.689
  493   3HG2  VAL  64          HG21      VAL  64  72.177   6.761   2.597
  494    H    ASP  65           HN       ASP  65  71.140  11.390   0.866
  495    HA   ASP  65           HA       ASP  65  72.073  11.712  -1.944
  496   1HB   ASP  65           HB2      ASP  65  69.526  11.880  -0.411
  497   2HB   ASP  65           HB1      ASP  65  69.672  12.951  -1.804
  498    H    GLU  66           HN       GLU  66  73.879  13.138  -0.898
  499    HA   GLU  66           HA       GLU  66  73.521  15.583   0.384
  500   1HB   GLU  66           HB2      GLU  66  75.672  14.541  -0.258
  501   2HB   GLU  66           HB1      GLU  66  75.347  14.919  -1.951
  502   1HG   GLU  66           HG2      GLU  66  75.318  17.102   0.122
  503   2HG   GLU  66           HG1      GLU  66  76.844  16.555  -0.575
  504    H    ASP  67           HN       ASP  67  72.766  14.765  -2.961
  505    HA   ASP  67           HA       ASP  67  72.264  17.574  -3.710
  506   1HB   ASP  67           HB2      ASP  67  71.626  16.450  -5.871
  507   2HB   ASP  67           HB1      ASP  67  73.241  16.018  -5.308
  508    H    GLY  68           HN       GLY  68  70.609  15.567  -1.768
  509   1HA   GLY  68           HA2      GLY  68  68.350  15.323  -1.180
  510   2HA   GLY  68           HA1      GLY  68  68.152  16.937  -1.864
  511    H    SER  69           HN       SER  69  69.175  14.036  -3.629
  512    HA   SER  69           HA       SER  69  67.456  14.472  -5.846
  513   1HB   SER  69           HB2      SER  69  67.903  11.770  -5.813
  514   2HB   SER  69           HB1      SER  69  69.079  12.955  -6.371
  515    HG   SER  69           HG       SER  69  69.605  11.324  -4.585
  516    H    GLY  70           HN       GLY  70  66.837  13.011  -2.729
  517   1HA   GLY  70           HA2      GLY  70  64.850  12.199  -1.784
  518   2HA   GLY  70           HA1      GLY  70  64.000  13.037  -3.083
  519    H    THR  71           HN       THR  71  66.430  10.696  -3.913
  520    HA   THR  71           HA       THR  71  64.453   8.519  -4.255
  521    HB   THR  71           HB       THR  71  65.144   8.488  -6.751
  522    HG1  THR  71           HG1      THR  71  66.840  10.011  -6.464
  523   1HG2  THR  71          HG21      THR  71  62.908   9.172  -5.904
  524   2HG2  THR  71          HG23      THR  71  63.505  10.822  -5.725
  525   3HG2  THR  71          HG22      THR  71  63.393  10.093  -7.328
  526    H    VAL  72           HN       VAL  72  65.517   6.620  -3.862
  527    HA   VAL  72           HA       VAL  72  68.504   6.612  -4.060
  528    HB   VAL  72           HB       VAL  72  68.074   4.502  -2.557
  529   1HG1  VAL  72          HG12      VAL  72  67.743   7.390  -1.767
  530   2HG1  VAL  72          HG11      VAL  72  67.773   6.103  -0.560
  531   3HG1  VAL  72          HG13      VAL  72  69.168   6.360  -1.608
  532   1HG2  VAL  72          HG22      VAL  72  65.532   4.742  -3.086
  533   2HG2  VAL  72          HG21      VAL  72  66.013   4.382  -1.428
  534   3HG2  VAL  72          HG23      VAL  72  65.563   6.027  -1.878
  535    H    ASP  73           HN       ASP  73  69.530   4.736  -4.964
  536    HA   ASP  73           HA       ASP  73  67.766   3.134  -6.786
  537   1HB   ASP  73           HB2      ASP  73  69.814   3.069  -8.233
  538   2HB   ASP  73           HB1      ASP  73  69.232   4.711  -7.954
  539    H    PHE  74           HN       PHE  74  69.223   1.041  -7.441
  540    HA   PHE  74           HA       PHE  74  69.368  -0.624  -5.150
  541   1HB   PHE  74           HB2      PHE  74  69.516  -0.867  -7.890
  542   2HB   PHE  74           HB1      PHE  74  71.158  -1.289  -7.399
  543    HD1  PHE  74           HD2      PHE  74  70.518  -2.425  -4.668
  544    HD2  PHE  74           HD1      PHE  74  68.679  -3.022  -8.502
  545    HE1  PHE  74           HE2      PHE  74  69.730  -4.662  -3.942
  546    HE2  PHE  74           HE1      PHE  74  67.891  -5.258  -7.777
  547    HZ   PHE  74           HZ       PHE  74  68.416  -6.078  -5.497
  548    H    ASP  75           HN       ASP  75  71.615   1.724  -6.326
  549    HA   ASP  75           HA       ASP  75  73.964   0.529  -5.011
  550   1HB   ASP  75           HB2      ASP  75  73.909   1.908  -7.158
  551   2HB   ASP  75           HB1      ASP  75  73.582   3.314  -6.143
  552    H    GLU  76           HN       GLU  76  71.638   3.147  -4.419
  553    HA   GLU  76           HA       GLU  76  73.019   3.977  -1.945
  554   1HB   GLU  76           HB2      GLU  76  70.366   4.810  -3.164
  555   2HB   GLU  76           HB1      GLU  76  71.279   5.692  -1.938
  556   1HG   GLU  76           HG2      GLU  76  72.766   5.019  -4.414
  557   2HG   GLU  76           HG1      GLU  76  71.479   6.211  -4.593
  558    H    PHE  77           HN       PHE  77  69.771   2.695  -2.794
  559    HA   PHE  77           HA       PHE  77  68.682   2.346  -0.256
  560   1HB   PHE  77           HB2      PHE  77  67.471   1.876  -2.291
  561   2HB   PHE  77           HB1      PHE  77  68.601   0.594  -2.728
  562    HD1  PHE  77           HD2      PHE  77  66.817   1.470   0.457
  563    HD2  PHE  77           HD1      PHE  77  67.565  -1.489  -2.567
  564    HE1  PHE  77           HE2      PHE  77  65.453  -0.170   1.723
  565    HE2  PHE  77           HE1      PHE  77  66.200  -3.128  -1.300
  566    HZ   PHE  77           HZ       PHE  77  65.145  -2.468   0.845
  567    H    LEU  78           HN       LEU  78  70.853   0.058  -1.959
  568    HA   LEU  78           HA       LEU  78  70.926  -2.038  -0.111
  569   1HB   LEU  78           HB2      LEU  78  72.584  -0.904  -2.229
  570   2HB   LEU  78           HB1      LEU  78  73.557  -1.702  -0.991
  571    HG   LEU  78           HG       LEU  78  71.245  -2.906  -2.539
  572   1HD1  LEU  78          HD12      LEU  78  74.102  -2.820  -2.920
  573   2HD1  LEU  78          HD11      LEU  78  73.599  -4.482  -2.607
  574   3HD1  LEU  78          HD13      LEU  78  72.876  -3.577  -3.937
  575   1HD2  LEU  78          HD23      LEU  78  72.221  -3.503   0.094
  576   2HD2  LEU  78          HD22      LEU  78  70.970  -4.340  -0.824
  577   3HD2  LEU  78          HD21      LEU  78  72.657  -4.831  -0.982
  578    H    VAL  79           HN       VAL  79  72.978   0.904  -0.078
  579    HA   VAL  79           HA       VAL  79  74.485   0.332   2.246
  580    HB   VAL  79           HB       VAL  79  73.403   2.962   1.183
  581   1HG1  VAL  79          HG11      VAL  79  74.393   2.921   3.551
  582   2HG1  VAL  79          HG13      VAL  79  75.928   2.512   2.785
  583   3HG1  VAL  79          HG12      VAL  79  75.134   4.043   2.411
  584   1HG2  VAL  79          HG23      VAL  79  74.785   1.330  -0.318
  585   2HG2  VAL  79          HG22      VAL  79  75.270   3.024  -0.245
  586   3HG2  VAL  79          HG21      VAL  79  76.145   1.816   0.694
  587    H    MET  80           HN       MET  80  71.256   1.785   1.919
  588    HA   MET  80           HA       MET  80  70.903   2.488   4.681
  589   1HB   MET  80           HB2      MET  80  69.352   2.256   2.193
  590   2HB   MET  80           HB1      MET  80  68.392   1.973   3.645
  591   1HG   MET  80           HG2      MET  80  69.381   4.106   4.592
  592   2HG   MET  80           HG1      MET  80  70.062   4.413   2.995
  593   1HE   MET  80           HE1      MET  80  69.068   6.371   2.151
  594   2HE   MET  80           HE3      MET  80  68.782   5.127   0.926
  595   3HE   MET  80           HE2      MET  80  67.527   6.305   1.299
  596    H    MET  81           HN       MET  81  70.175  -0.475   2.843
  597    HA   MET  81           HA       MET  81  68.762  -1.827   4.962
  598   1HB   MET  81           HB2      MET  81  69.889  -2.355   2.295
  599   2HB   MET  81           HB1      MET  81  69.887  -3.768   3.351
  600   1HG   MET  81           HG2      MET  81  67.468  -2.006   2.869
  601   2HG   MET  81           HG1      MET  81  67.773  -3.522   2.020
  602   1HE   MET  81           HE1      MET  81  68.762  -5.396   3.270
  603   2HE   MET  81           HE3      MET  81  69.136  -5.167   4.984
  604   3HE   MET  81           HE2      MET  81  67.804  -6.213   4.502
  605    H    VAL  82           HN       VAL  82  72.164  -1.995   3.852
  606    HA   VAL  82           HA       VAL  82  72.996  -3.885   5.875
  607    HB   VAL  82           HB       VAL  82  75.197  -3.381   5.007
  608   1HG1  VAL  82          HG11      VAL  82  73.091  -4.167   3.429
  609   2HG1  VAL  82          HG13      VAL  82  73.734  -2.806   2.513
  610   3HG1  VAL  82          HG12      VAL  82  74.778  -4.169   2.916
  611   1HG2  VAL  82          HG22      VAL  82  74.987  -0.907   5.201
  612   2HG2  VAL  82          HG21      VAL  82  75.620  -1.395   3.628
  613   3HG2  VAL  82          HG23      VAL  82  73.933  -0.906   3.786
  614    H    ARG  83           HN       ARG  83  72.359  -0.493   5.937
  615    HA   ARG  83           HA       ARG  83  74.105  -0.001   8.283
  616   1HB   ARG  83           HB2      ARG  83  73.799   1.573   6.324
  617   2HB   ARG  83           HB1      ARG  83  72.137   1.816   6.864
  618   1HG   ARG  83           HG2      ARG  83  73.245   3.585   7.917
  619   2HG   ARG  83           HG1      ARG  83  73.252   2.351   9.178
  620   1HD   ARG  83           HD2      ARG  83  75.537   1.657   8.464
  621   2HD   ARG  83           HD1      ARG  83  75.534   2.966   7.265
  622    HE   ARG  83           HE       ARG  83  75.188   4.546   9.211
  623   1HH1  ARG  83          HH21      ARG  83  74.855   3.769  11.660
  624   2HH1  ARG  83          HH22      ARG  83  76.322   3.098  12.291
  625   1HH2  ARG  83          HH11      ARG  83  77.769   2.641   9.174
  626   2HH2  ARG  83          HH12      ARG  83  77.970   2.459  10.884
  627    H    CYS  84           HN       CYS  84  70.918  -1.052   7.652
  628    HA   CYS  84           HA       CYS  84  69.787   0.088  10.146
  629   1HB   CYS  84           HB2      CYS  84  68.663  -0.175   7.817
  630   2HB   CYS  84           HB1      CYS  84  68.493  -1.875   8.254
  631    HG   CYS  84           HG       CYS  84  67.310   0.359  10.096
  632    H    MET  85           HN       MET  85  70.541  -3.107   8.730
  633    HA   MET  85           HA       MET  85  69.767  -4.572  11.129
  634   1HB   MET  85           HB2      MET  85  70.820  -6.451   9.842
  635   2HB   MET  85           HB1      MET  85  69.645  -5.541   8.891
  636   1HG   MET  85           HG2      MET  85  71.263  -4.577   7.555
  637   2HG   MET  85           HG1      MET  85  72.492  -4.635   8.819
  638   1HE   MET  85           HE2      MET  85  70.795  -5.886   6.008
  639   2HE   MET  85           HE1      MET  85  71.626  -7.332   5.439
  640   3HE   MET  85           HE3      MET  85  70.305  -7.469   6.607
  641    H    LYS  86           HN       LYS  86  71.927  -6.349  11.429
  642    HA   LYS  86           HA       LYS  86  74.058  -4.545  12.532
  643   1HB   LYS  86           HB2      LYS  86  74.210  -6.117  14.365
  644   2HB   LYS  86           HB1      LYS  86  72.501  -5.747  14.132
  645   1HG   LYS  86           HG2      LYS  86  73.039  -7.901  12.401
  646   2HG   LYS  86           HG1      LYS  86  73.852  -8.298  13.915
  647   1HD   LYS  86           HD2      LYS  86  71.187  -7.154  14.326
  648   2HD   LYS  86           HD1      LYS  86  71.153  -8.658  13.406
  649   1HE   LYS  86           HE2      LYS  86  72.554  -9.736  15.176
  650   2HE   LYS  86           HE1      LYS  86  72.449  -8.239  16.123
  651   1HZ   LYS  86           HZ2      LYS  86  70.065  -9.640  15.056
  652   2HZ   LYS  86           HZ1      LYS  86  70.679  -9.940  16.611
  653   3HZ   LYS  86           HZ3      LYS  86  70.109  -8.394  16.209
  654    H    ASP  87           HN       ASP  87  75.726  -6.817  13.247
  655    HA   ASP  87           HA       ASP  87  77.356  -8.247  12.293
  656   1HB   ASP  87           HB2      ASP  87  74.894  -8.603  10.892
  657   2HB   ASP  87           HB1      ASP  87  76.192  -8.616   9.697
  658    H    ASP  88           HN       ASP  88  79.270  -7.446  11.524
  659    HA   ASP  88           HA       ASP  88  80.749  -5.957  10.413
  660   1HB   ASP  88           HB2      ASP  88  78.795  -6.932   8.310
  661   2HB   ASP  88           HB1      ASP  88  80.284  -6.074   7.913
  662    H    SER  89           HN       SER  89  78.822  -4.473  11.803
  663    HA   SER  89           HA       SER  89  77.753  -2.362  11.825
  664   1HB   SER  89           HB2      SER  89  80.217  -2.088  10.945
  665   2HB   SER  89           HB1      SER  89  79.434  -1.751   9.404
  666    HG   SER  89           HG       SER  89  79.444  -0.304  11.785
   
  No H/Q in entry =         666
  Start of MODEL    2
    1   1H    MET   1           HT2      MET   1  87.653   4.342  -0.959
    2   2H    MET   1           HT1      MET   1  88.530   3.450  -2.111
    3   3H    MET   1           HT3      MET   1  88.738   5.130  -2.003
    4    HA   MET   1           HA       MET   1  87.337   4.996  -3.816
    5   1HB   MET   1           HB2      MET   1  87.081   2.417  -2.754
    6   2HB   MET   1           HB1      MET   1  85.433   3.044  -2.784
    7   1HG   MET   1           HG2      MET   1  85.500   2.322  -4.954
    8   2HG   MET   1           HG1      MET   1  86.288   3.878  -5.215
    9   1HE   MET   1           HE2      MET   1  88.081   4.289  -6.141
   10   2HE   MET   1           HE1      MET   1  89.350   3.931  -4.974
   11   3HE   MET   1           HE3      MET   1  89.437   3.270  -6.613
   12    H    ASP   2           HN       ASP   2  85.217   3.959  -1.136
   13    HA   ASP   2           HA       ASP   2  84.112   6.741  -1.010
   14   1HB   ASP   2           HB2      ASP   2  82.741   4.092  -1.479
   15   2HB   ASP   2           HB1      ASP   2  81.854   5.465  -0.817
   16    H    ASP   3           HN       ASP   3  82.820   3.860   0.555
   17    HA   ASP   3           HA       ASP   3  84.145   4.503   3.124
   18   1HB   ASP   3           HB2      ASP   3  81.730   5.689   2.380
   19   2HB   ASP   3           HB1      ASP   3  81.241   4.352   3.424
   20    H    ILE   4           HN       ILE   4  82.982   2.947   4.866
   21    HA   ILE   4           HA       ILE   4  83.538   0.270   4.212
   22    HB   ILE   4           HB       ILE   4  82.393  -0.225   6.277
   23   1HG1  ILE   4          HG12      ILE   4  80.948   2.403   5.804
   24   2HG1  ILE   4          HG11      ILE   4  80.235   0.790   5.764
   25   1HG2  ILE   4          HG22      ILE   4  84.384   1.517   6.183
   26   2HG2  ILE   4          HG21      ILE   4  83.143   2.639   6.741
   27   3HG2  ILE   4          HG23      ILE   4  83.537   1.213   7.700
   28   1HD1  ILE   4          HD12      ILE   4  81.579   1.994   8.200
   29   2HD1  ILE   4          HD11      ILE   4  79.836   1.994   7.927
   30   3HD1  ILE   4          HD13      ILE   4  80.697   0.468   8.127
   31    H    TYR   5           HN       TYR   5  80.729   2.185   3.466
   32    HA   TYR   5           HA       TYR   5  78.727   0.229   3.091
   33   1HB   TYR   5           HB2      TYR   5  79.287   2.619   1.311
   34   2HB   TYR   5           HB1      TYR   5  77.718   1.902   1.674
   35    HD1  TYR   5           HD1      TYR   5  78.674   1.417   4.702
   36    HD2  TYR   5           HD2      TYR   5  78.426   4.828   2.101
   37    HE1  TYR   5           HE1      TYR   5  78.452   2.905   6.674
   38    HE2  TYR   5           HE2      TYR   5  78.205   6.315   4.073
   39    HH   TYR   5           HH       TYR   5  77.638   6.278   6.348
   40    H    LYS   6           HN       LYS   6  81.356   1.228   0.898
   41    HA   LYS   6           HA       LYS   6  80.653  -0.127  -1.449
   42   1HB   LYS   6           HB2      LYS   6  82.612   1.364  -1.080
   43   2HB   LYS   6           HB1      LYS   6  83.381   0.089  -0.133
   44   1HG   LYS   6           HG2      LYS   6  82.430  -0.775  -2.788
   45   2HG   LYS   6           HG1      LYS   6  83.722   0.423  -2.831
   46   1HD   LYS   6           HD2      LYS   6  84.448  -1.407  -0.813
   47   2HD   LYS   6           HD1      LYS   6  83.877  -2.386  -2.165
   48   1HE   LYS   6           HE2      LYS   6  85.669  -1.832  -3.464
   49   2HE   LYS   6           HE1      LYS   6  85.614  -0.129  -2.962
   50   1HZ   LYS   6           HZ2      LYS   6  86.326  -1.085  -0.688
   51   2HZ   LYS   6           HZ1      LYS   6  86.856  -2.423  -1.590
   52   3HZ   LYS   6           HZ3      LYS   6  87.504  -0.885  -1.897
   53    H    ALA   7           HN       ALA   7  82.332  -1.451   1.416
   54    HA   ALA   7           HA       ALA   7  82.697  -4.104   0.393
   55   1HB   ALA   7           HB2      ALA   7  83.286  -2.604   2.680
   56   2HB   ALA   7           HB1      ALA   7  82.248  -3.903   3.271
   57   3HB   ALA   7           HB3      ALA   7  83.733  -4.288   2.401
   58    H    ALA   8           HN       ALA   8  79.983  -2.502   1.990
   59    HA   ALA   8           HA       ALA   8  78.426  -4.730   2.764
   60   1HB   ALA   8           HB1      ALA   8  78.192  -1.915   2.453
   61   2HB   ALA   8           HB3      ALA   8  76.807  -2.632   1.629
   62   3HB   ALA   8           HB2      ALA   8  77.102  -2.990   3.331
   63    H    VAL   9           HN       VAL   9  78.531  -3.045  -0.396
   64    HA   VAL   9           HA       VAL   9  76.557  -4.659  -1.700
   65    HB   VAL   9           HB       VAL   9  78.990  -3.211  -2.799
   66   1HG1  VAL   9          HG11      VAL   9  77.041  -4.830  -4.074
   67   2HG1  VAL   9          HG13      VAL   9  76.642  -3.158  -4.467
   68   3HG1  VAL   9          HG12      VAL   9  78.243  -3.792  -4.841
   69   1HG2  VAL   9          HG23      VAL   9  76.212  -2.310  -2.024
   70   2HG2  VAL   9          HG22      VAL   9  77.760  -1.611  -1.552
   71   3HG2  VAL   9          HG21      VAL   9  77.173  -1.416  -3.204
   72    H    GLU  10           HN       GLU  10  80.026  -5.094  -1.165
   73    HA   GLU  10           HA       GLU  10  80.277  -7.366  -2.981
   74   1HB   GLU  10           HB2      GLU  10  81.904  -5.659  -1.295
   75   2HB   GLU  10           HB1      GLU  10  82.351  -7.350  -1.069
   76   1HG   GLU  10           HG2      GLU  10  81.911  -6.424  -3.868
   77   2HG   GLU  10           HG1      GLU  10  83.375  -5.868  -3.056
   78    H    GLN  11           HN       GLN  11  79.561  -6.905   0.444
   79    HA   GLN  11           HA       GLN  11  80.006  -9.631   1.284
   80   1HB   GLN  11           HB2      GLN  11  78.661  -7.155   2.280
   81   2HB   GLN  11           HB1      GLN  11  78.247  -8.677   3.071
   82   1HG   GLN  11           HG2      GLN  11  81.002  -8.827   2.855
   83   2HG   GLN  11           HG1      GLN  11  80.727  -7.120   3.210
   84   1HE2  GLN  11          HE22      GLN  11  78.873  -8.090   6.302
   85   2HE2  GLN  11          HE21      GLN  11  78.493  -7.222   4.893
   86    H    LEU  12           HN       LEU  12  77.362  -7.994  -0.329
   87    HA   LEU  12           HA       LEU  12  75.260  -9.859   0.297
   88   1HB   LEU  12           HB2      LEU  12  75.780  -7.939  -1.993
   89   2HB   LEU  12           HB1      LEU  12  74.246  -8.779  -1.762
   90    HG   LEU  12           HG       LEU  12  75.563  -6.843   0.164
   91   1HD1  LEU  12          HD13      LEU  12  73.510  -6.646  -1.915
   92   2HD1  LEU  12          HD12      LEU  12  72.947  -6.069  -0.347
   93   3HD1  LEU  12          HD11      LEU  12  74.387  -5.363  -1.080
   94   1HD2  LEU  12          HD21      LEU  12  73.511  -8.938   0.531
   95   2HD2  LEU  12          HD23      LEU  12  74.520  -8.130   1.730
   96   3HD2  LEU  12          HD22      LEU  12  73.053  -7.348   1.141
   97    H    THR  13           HN       THR  13  74.238 -11.224  -1.541
   98    HA   THR  13           HA       THR  13  76.376 -12.534  -3.189
   99    HB   THR  13           HB       THR  13  75.183 -14.680  -2.605
  100    HG1  THR  13           HG1      THR  13  73.990 -13.352  -0.471
  101   1HG2  THR  13          HG21      THR  13  77.039 -13.232  -1.142
  102   2HG2  THR  13          HG23      THR  13  75.822 -13.655   0.062
  103   3HG2  THR  13          HG22      THR  13  76.615 -14.922  -0.874
  104    H    GLU  14           HN       GLU  14  75.369 -13.841  -5.017
  105    HA   GLU  14           HA       GLU  14  73.621 -12.263  -6.612
  106   1HB   GLU  14           HB2      GLU  14  75.074 -13.853  -7.632
  107   2HB   GLU  14           HB1      GLU  14  74.481 -15.162  -6.608
  108   1HG   GLU  14           HG2      GLU  14  72.331 -15.146  -7.715
  109   2HG   GLU  14           HG1      GLU  14  72.759 -13.695  -8.622
  110    H    GLU  15           HN       GLU  15  72.958 -14.849  -4.297
  111    HA   GLU  15           HA       GLU  15  70.214 -15.323  -5.041
  112   1HB   GLU  15           HB2      GLU  15  71.948 -16.621  -3.552
  113   2HB   GLU  15           HB1      GLU  15  71.321 -15.603  -2.255
  114   1HG   GLU  15           HG2      GLU  15  68.980 -16.352  -3.066
  115   2HG   GLU  15           HG1      GLU  15  69.840 -17.627  -3.929
  116    H    GLN  16           HN       GLN  16  71.792 -12.972  -2.922
  117    HA   GLN  16           HA       GLN  16  69.258 -12.030  -1.770
  118   1HB   GLN  16           HB2      GLN  16  72.183 -11.463  -1.565
  119   2HB   GLN  16           HB1      GLN  16  71.075 -10.189  -1.057
  120   1HG   GLN  16           HG2      GLN  16  69.938 -11.764   0.457
  121   2HG   GLN  16           HG1      GLN  16  71.030 -13.051  -0.055
  122   1HE2  GLN  16          HE22      GLN  16  72.305 -11.313   3.088
  123   2HE2  GLN  16          HE21      GLN  16  70.777 -11.937   2.689
  124    H    LYS  17           HN       LYS  17  71.722 -10.691  -4.009
  125    HA   LYS  17           HA       LYS  17  70.542  -8.217  -4.601
  126   1HB   LYS  17           HB2      LYS  17  72.448 -10.088  -5.744
  127   2HB   LYS  17           HB1      LYS  17  71.542  -9.268  -7.016
  128   1HG   LYS  17           HG2      LYS  17  72.900  -7.495  -6.722
  129   2HG   LYS  17           HG1      LYS  17  72.136  -7.262  -5.149
  130   1HD   LYS  17           HD2      LYS  17  74.049  -7.826  -4.111
  131   2HD   LYS  17           HD1      LYS  17  74.045  -9.390  -4.928
  132   1HE   LYS  17           HE2      LYS  17  76.114  -8.173  -5.481
  133   2HE   LYS  17           HE1      LYS  17  75.095  -8.289  -6.931
  134   1HZ   LYS  17           HZ1      LYS  17  74.110  -6.095  -5.758
  135   2HZ   LYS  17           HZ3      LYS  17  75.741  -5.969  -5.313
  136   3HZ   LYS  17           HZ2      LYS  17  75.315  -6.062  -6.955
  137    H    ASN  18           HN       ASN  18  69.859 -11.393  -6.081
  138    HA   ASN  18           HA       ASN  18  67.906 -10.481  -7.972
  139   1HB   ASN  18           HB2      ASN  18  68.828 -12.609  -8.327
  140   2HB   ASN  18           HB1      ASN  18  68.669 -13.065  -6.631
  141   1HD2  ASN  18          HD22      ASN  18  65.709 -14.801  -7.374
  142   2HD2  ASN  18          HD21      ASN  18  67.203 -14.776  -6.571
  143    H    GLU  19           HN       GLU  19  67.703 -11.371  -4.554
  144    HA   GLU  19           HA       GLU  19  64.829 -11.568  -4.404
  145   1HB   GLU  19           HB2      GLU  19  66.561 -12.445  -2.788
  146   2HB   GLU  19           HB1      GLU  19  66.833 -10.783  -2.266
  147   1HG   GLU  19           HG2      GLU  19  64.501 -10.578  -1.570
  148   2HG   GLU  19           HG1      GLU  19  64.151 -12.195  -2.181
  149    H    PHE  20           HN       PHE  20  67.125  -8.894  -3.823
  150    HA   PHE  20           HA       PHE  20  65.024  -6.998  -3.104
  151   1HB   PHE  20           HB2      PHE  20  67.974  -6.847  -3.762
  152   2HB   PHE  20           HB1      PHE  20  67.029  -5.413  -3.356
  153    HD1  PHE  20           HD2      PHE  20  65.271  -6.120  -1.254
  154    HD2  PHE  20           HD1      PHE  20  69.259  -7.554  -1.953
  155    HE1  PHE  20           HE2      PHE  20  65.505  -6.648   1.158
  156    HE2  PHE  20           HE1      PHE  20  69.492  -8.083   0.459
  157    HZ   PHE  20           HZ       PHE  20  67.615  -7.628   2.015
  158    H    LYS  21           HN       LYS  21  66.839  -7.823  -6.037
  159    HA   LYS  21           HA       LYS  21  66.286  -5.655  -7.712
  160   1HB   LYS  21           HB2      LYS  21  67.643  -7.636  -8.281
  161   2HB   LYS  21           HB1      LYS  21  66.186  -8.630  -8.316
  162   1HG   LYS  21           HG2      LYS  21  65.290  -7.047 -10.096
  163   2HG   LYS  21           HG1      LYS  21  66.912  -6.356 -10.175
  164   1HD   LYS  21           HD2      LYS  21  67.786  -8.694 -10.594
  165   2HD   LYS  21           HD1      LYS  21  66.109  -9.217 -10.756
  166   1HE   LYS  21           HE2      LYS  21  65.779  -7.990 -12.731
  167   2HE   LYS  21           HE1      LYS  21  67.122  -6.884 -12.379
  168   1HZ   LYS  21           HZ1      LYS  21  68.629  -8.824 -12.528
  169   2HZ   LYS  21           HZ3      LYS  21  67.322  -9.770 -13.054
  170   3HZ   LYS  21           HZ2      LYS  21  67.859  -8.466 -14.000
  171    H    ALA  22           HN       ALA  22  64.178  -8.477  -7.073
  172    HA   ALA  22           HA       ALA  22  61.991  -7.499  -8.707
  173   1HB   ALA  22           HB1      ALA  22  62.668  -9.741  -6.938
  174   2HB   ALA  22           HB3      ALA  22  60.965  -9.291  -6.852
  175   3HB   ALA  22           HB2      ALA  22  61.684  -9.731  -8.402
  176    H    ALA  23           HN       ALA  23  62.668  -7.474  -5.197
  177    HA   ALA  23           HA       ALA  23  60.188  -6.126  -4.504
  178   1HB   ALA  23           HB1      ALA  23  62.828  -6.620  -3.098
  179   2HB   ALA  23           HB3      ALA  23  61.432  -5.890  -2.304
  180   3HB   ALA  23           HB2      ALA  23  61.335  -7.540  -2.917
  181    H    PHE  24           HN       PHE  24  62.955  -5.035  -6.071
  182    HA   PHE  24           HA       PHE  24  62.845  -2.303  -4.885
  183   1HB   PHE  24           HB2      PHE  24  65.037  -3.275  -5.135
  184   2HB   PHE  24           HB1      PHE  24  64.696  -3.750  -6.800
  185    HD1  PHE  24           HD2      PHE  24  64.203  -1.889  -8.507
  186    HD2  PHE  24           HD1      PHE  24  65.961  -1.156  -4.658
  187    HE1  PHE  24           HE2      PHE  24  65.039   0.304  -9.307
  188    HE2  PHE  24           HE1      PHE  24  66.797   1.038  -5.457
  189    HZ   PHE  24           HZ       PHE  24  66.337   1.768  -7.782
  190    H    ASP  25           HN       ASP  25  62.521  -3.978  -8.023
  191    HA   ASP  25           HA       ASP  25  61.960  -1.662  -9.605
  192   1HB   ASP  25           HB2      ASP  25  61.665  -4.618  -9.758
  193   2HB   ASP  25           HB1      ASP  25  60.687  -3.678 -10.887
  194    H    ILE  26           HN       ILE  26  60.095  -3.145  -7.157
  195    HA   ILE  26           HA       ILE  26  57.448  -2.652  -8.245
  196    HB   ILE  26           HB       ILE  26  58.581  -3.145  -5.481
  197   1HG1  ILE  26          HG12      ILE  26  57.215  -4.832  -7.591
  198   2HG1  ILE  26          HG11      ILE  26  58.814  -5.066  -6.888
  199   1HG2  ILE  26          HG23      ILE  26  56.453  -1.895  -5.319
  200   2HG2  ILE  26          HG22      ILE  26  55.681  -3.073  -6.377
  201   3HG2  ILE  26          HG21      ILE  26  56.250  -3.561  -4.781
  202   1HD1  ILE  26          HD13      ILE  26  57.743  -5.479  -4.677
  203   2HD1  ILE  26          HD12      ILE  26  56.164  -5.350  -5.451
  204   3HD1  ILE  26          HD11      ILE  26  57.258  -6.660  -5.895
  205    H    PHE  27           HN       PHE  27  59.856  -0.537  -7.223
  206    HA   PHE  27           HA       PHE  27  57.848   1.634  -6.832
  207   1HB   PHE  27           HB2      PHE  27  60.122   0.869  -4.977
  208   2HB   PHE  27           HB1      PHE  27  59.230   2.385  -4.851
  209    HD1  PHE  27           HD2      PHE  27  56.745   2.333  -4.426
  210    HD2  PHE  27           HD1      PHE  27  59.207  -1.177  -4.164
  211    HE1  PHE  27           HE2      PHE  27  54.968   1.183  -3.133
  212    HE2  PHE  27           HE1      PHE  27  57.431  -2.326  -2.872
  213    HZ   PHE  27           HZ       PHE  27  55.312  -1.147  -2.355
  214    H    VAL  28           HN       VAL  28  59.612   1.023  -9.088
  215    HA   VAL  28           HA       VAL  28  61.644   3.214  -8.879
  216    HB   VAL  28           HB       VAL  28  61.373   0.966 -10.895
  217   1HG1  VAL  28          HG13      VAL  28  62.942   3.298 -10.857
  218   2HG1  VAL  28          HG12      VAL  28  64.030   1.996 -10.376
  219   3HG1  VAL  28          HG11      VAL  28  63.156   1.896 -11.905
  220   1HG2  VAL  28          HG22      VAL  28  62.971   1.152  -8.322
  221   2HG2  VAL  28          HG21      VAL  28  61.690  -0.002  -8.688
  222   3HG2  VAL  28          HG23      VAL  28  63.224  -0.085  -9.553
  223    H    LEU  29           HN       LEU  29  58.654   3.456  -9.511
  224    HA   LEU  29           HA       LEU  29  58.145   3.923 -12.224
  225   1HB   LEU  29           HB2      LEU  29  56.302   5.218 -11.427
  226   2HB   LEU  29           HB1      LEU  29  56.604   4.012 -10.182
  227    HG   LEU  29           HG       LEU  29  57.386   6.939 -10.145
  228   1HD1  LEU  29          HD13      LEU  29  55.588   5.174  -8.474
  229   2HD1  LEU  29          HD12      LEU  29  56.091   6.785  -7.965
  230   3HD1  LEU  29          HD11      LEU  29  55.130   6.583  -9.430
  231   1HD2  LEU  29          HD21      LEU  29  58.161   4.717  -8.224
  232   2HD2  LEU  29          HD23      LEU  29  59.267   5.617  -9.261
  233   3HD2  LEU  29          HD22      LEU  29  58.433   6.435  -7.942
  234    H    GLY  30           HN       GLY  30  59.661   4.960 -13.473
  235   1HA   GLY  30           HA2      GLY  30  60.980   6.713 -14.311
  236   2HA   GLY  30           HA1      GLY  30  59.893   7.790 -13.432
  237    H    ALA  31           HN       ALA  31  60.754   8.888 -11.735
  238    HA   ALA  31           HA       ALA  31  62.366   9.597 -10.157
  239   1HB   ALA  31           HB3      ALA  31  61.418   7.175  -9.507
  240   2HB   ALA  31           HB2      ALA  31  63.108   6.733  -9.750
  241   3HB   ALA  31           HB1      ALA  31  62.679   7.959  -8.556
  242    H    GLU  32           HN       GLU  32  63.733  10.420 -11.977
  243    HA   GLU  32           HA       GLU  32  65.864  10.666 -12.964
  244   1HB   GLU  32           HB2      GLU  32  66.133   9.098 -10.515
  245   2HB   GLU  32           HB1      GLU  32  67.393   8.706 -11.687
  246   1HG   GLU  32           HG2      GLU  32  67.271  11.456 -11.856
  247   2HG   GLU  32           HG1      GLU  32  66.981  11.169 -10.139
  248    H    ASP  33           HN       ASP  33  65.925   7.181 -12.211
  249    HA   ASP  33           HA       ASP  33  65.135   6.135 -14.711
  250   1HB   ASP  33           HB2      ASP  33  67.585   7.629 -14.769
  251   2HB   ASP  33           HB1      ASP  33  67.956   5.935 -15.093
  252    H    GLY  34           HN       GLY  34  64.541   4.618 -12.906
  253   1HA   GLY  34           HA2      GLY  34  64.943   2.320 -12.294
  254   2HA   GLY  34           HA1      GLY  34  66.665   2.575 -12.572
  255    H    CYS  35           HN       CYS  35  64.539   4.656 -10.650
  256    HA   CYS  35           HA       CYS  35  65.921   3.719  -8.167
  257   1HB   CYS  35           HB2      CYS  35  65.519   6.609  -8.997
  258   2HB   CYS  35           HB1      CYS  35  66.423   6.028  -7.600
  259    HG   CYS  35           HG       CYS  35  67.592   6.352 -10.313
  260    H    ILE  36           HN       ILE  36  64.738   4.495  -6.181
  261    HA   ILE  36           HA       ILE  36  61.816   4.886  -6.754
  262    HB   ILE  36           HB       ILE  36  61.391   3.440  -4.884
  263   1HG1  ILE  36          HG12      ILE  36  64.375   3.401  -4.351
  264   2HG1  ILE  36          HG11      ILE  36  63.248   4.439  -3.477
  265   1HG2  ILE  36          HG23      ILE  36  62.448   2.513  -7.125
  266   2HG2  ILE  36          HG22      ILE  36  63.791   2.089  -6.064
  267   3HG2  ILE  36          HG21      ILE  36  62.182   1.438  -5.753
  268   1HD1  ILE  36          HD11      ILE  36  62.222   1.747  -3.539
  269   2HD1  ILE  36          HD13      ILE  36  63.874   1.736  -2.918
  270   3HD1  ILE  36          HD12      ILE  36  62.646   2.734  -2.140
  271    H    SER  37           HN       SER  37  60.683   5.864  -4.753
  272    HA   SER  37           HA       SER  37  62.204   8.267  -3.923
  273   1HB   SER  37           HB2      SER  37  59.503   7.536  -4.534
  274   2HB   SER  37           HB1      SER  37  59.544   8.148  -2.883
  275    HG   SER  37           HG       SER  37  59.817  10.061  -3.686
  276    H    THR  38           HN       THR  38  62.761   8.691  -1.773
  277    HA   THR  38           HA       THR  38  63.336   6.685   0.062
  278    HB   THR  38           HB       THR  38  62.962   8.692   1.733
  279    HG1  THR  38           HG1      THR  38  63.098  10.625   0.194
  280   1HG2  THR  38          HG21      THR  38  64.895   8.401  -0.528
  281   2HG2  THR  38          HG23      THR  38  64.948   9.882   0.428
  282   3HG2  THR  38          HG22      THR  38  65.182   8.319   1.210
  283    H    LYS  39           HN       LYS  39  60.297   8.549  -0.179
  284    HA   LYS  39           HA       LYS  39  58.957   7.490   2.081
  285   1HB   LYS  39           HB2      LYS  39  58.378   8.929  -0.389
  286   2HB   LYS  39           HB1      LYS  39  57.051   7.858   0.061
  287   1HG   LYS  39           HG2      LYS  39  58.094   9.224   2.394
  288   2HG   LYS  39           HG1      LYS  39  57.616  10.384   1.155
  289   1HD   LYS  39           HD2      LYS  39  55.645   9.976   2.440
  290   2HD   LYS  39           HD1      LYS  39  55.440   9.053   0.951
  291   1HE   LYS  39           HE2      LYS  39  55.879   6.994   2.016
  292   2HE   LYS  39           HE1      LYS  39  56.677   7.777   3.395
  293   1HZ   LYS  39           HZ1      LYS  39  54.437   8.955   3.695
  294   2HZ   LYS  39           HZ3      LYS  39  53.802   7.723   2.717
  295   3HZ   LYS  39           HZ2      LYS  39  54.552   7.333   4.191
  296    H    GLU  40           HN       GLU  40  59.457   6.130  -1.141
  297    HA   GLU  40           HA       GLU  40  57.595   3.903  -0.720
  298   1HB   GLU  40           HB2      GLU  40  59.737   4.488  -2.792
  299   2HB   GLU  40           HB1      GLU  40  58.530   3.207  -2.923
  300   1HG   GLU  40           HG2      GLU  40  56.734   4.932  -2.758
  301   2HG   GLU  40           HG1      GLU  40  57.977   6.184  -2.754
  302    H    LEU  41           HN       LEU  41  61.142   4.349  -0.728
  303    HA   LEU  41           HA       LEU  41  62.036   1.718  -0.465
  304   1HB   LEU  41           HB2      LEU  41  63.592   3.518  -0.594
  305   2HB   LEU  41           HB1      LEU  41  62.887   4.329   0.805
  306    HG   LEU  41           HG       LEU  41  63.839   1.585   1.331
  307   1HD1  LEU  41          HD12      LEU  41  65.530   3.458  -0.081
  308   2HD1  LEU  41          HD11      LEU  41  66.170   3.163   1.535
  309   3HD1  LEU  41          HD13      LEU  41  65.893   1.812   0.435
  310   1HD2  LEU  41          HD23      LEU  41  63.323   4.050   2.703
  311   2HD2  LEU  41          HD22      LEU  41  63.703   2.473   3.397
  312   3HD2  LEU  41          HD21      LEU  41  65.002   3.594   2.990
  313    H    GLY  42           HN       GLY  42  60.582   3.792   2.033
  314   1HA   GLY  42           HA2      GLY  42  61.071   2.168   4.297
  315   2HA   GLY  42           HA1      GLY  42  59.671   3.230   4.123
  316    H    LYS  43           HN       LYS  43  58.078   2.223   2.316
  317    HA   LYS  43           HA       LYS  43  56.858  -0.069   3.439
  318   1HB   LYS  43           HB2      LYS  43  56.821   1.037   0.609
  319   2HB   LYS  43           HB1      LYS  43  55.628  -0.086   1.266
  320   1HG   LYS  43           HG2      LYS  43  56.234   2.590   2.543
  321   2HG   LYS  43           HG1      LYS  43  54.963   2.370   1.339
  322   1HD   LYS  43           HD2      LYS  43  54.878   0.359   3.471
  323   2HD   LYS  43           HD1      LYS  43  54.657   2.006   4.065
  324   1HE   LYS  43           HE2      LYS  43  53.150   1.594   1.612
  325   2HE   LYS  43           HE1      LYS  43  52.688   0.414   2.854
  326   1HZ   LYS  43           HZ1      LYS  43  52.826   2.450   4.414
  327   2HZ   LYS  43           HZ3      LYS  43  52.647   3.357   2.993
  328   3HZ   LYS  43           HZ2      LYS  43  51.443   2.249   3.449
  329    H    VAL  44           HN       VAL  44  59.432   0.221   1.054
  330    HA   VAL  44           HA       VAL  44  59.351  -2.486   0.062
  331    HB   VAL  44           HB       VAL  44  61.251  -0.162   0.114
  332   1HG1  VAL  44          HG12      VAL  44  61.955  -2.994  -0.696
  333   2HG1  VAL  44          HG11      VAL  44  62.836  -1.583  -1.282
  334   3HG1  VAL  44          HG13      VAL  44  62.812  -1.954   0.442
  335   1HG2  VAL  44          HG22      VAL  44  59.280  -0.693  -1.544
  336   2HG2  VAL  44          HG21      VAL  44  60.808  -0.086  -2.178
  337   3HG2  VAL  44          HG23      VAL  44  60.440  -1.807  -2.266
  338    H    MET  45           HN       MET  45  61.307  -0.899   2.609
  339    HA   MET  45           HA       MET  45  62.756  -3.267   3.373
  340   1HB   MET  45           HB2      MET  45  62.057  -0.680   4.797
  341   2HB   MET  45           HB1      MET  45  63.238  -1.845   5.396
  342   1HG   MET  45           HG2      MET  45  63.560  -0.988   2.570
  343   2HG   MET  45           HG1      MET  45  63.911   0.228   3.798
  344   1HE   MET  45           HE3      MET  45  65.606   0.648   4.679
  345   2HE   MET  45           HE2      MET  45  66.150  -0.486   5.913
  346   3HE   MET  45           HE1      MET  45  67.194  -0.119   4.543
  347    H    ARG  46           HN       ARG  46  59.596  -1.991   4.234
  348    HA   ARG  46           HA       ARG  46  59.244  -3.615   6.622
  349   1HB   ARG  46           HB2      ARG  46  57.280  -2.213   4.778
  350   2HB   ARG  46           HB1      ARG  46  56.916  -2.796   6.402
  351   1HG   ARG  46           HG2      ARG  46  59.302  -1.174   6.463
  352   2HG   ARG  46           HG1      ARG  46  57.992  -0.281   5.689
  353   1HD   ARG  46           HD2      ARG  46  57.494  -1.785   8.259
  354   2HD   ARG  46           HD1      ARG  46  58.167  -0.143   8.282
  355    HE   ARG  46           HE       ARG  46  55.770  -0.561   6.596
  356   1HH1  ARG  46          HH21      ARG  46  57.327   1.713   8.372
  357   2HH1  ARG  46          HH22      ARG  46  55.958   2.240   9.294
  358   1HH2  ARG  46          HH11      ARG  46  53.930  -0.384   8.277
  359   2HH2  ARG  46          HH12      ARG  46  54.033   1.053   9.239
  360    H    MET  47           HN       MET  47  58.809  -4.119   3.190
  361    HA   MET  47           HA       MET  47  56.992  -6.393   3.453
  362   1HB   MET  47           HB2      MET  47  58.326  -4.791   1.385
  363   2HB   MET  47           HB1      MET  47  58.202  -6.498   0.961
  364   1HG   MET  47           HG2      MET  47  55.902  -6.458   0.890
  365   2HG   MET  47           HG1      MET  47  55.782  -5.214   2.133
  366   1HE   MET  47           HE1      MET  47  57.629  -5.941  -0.862
  367   2HE   MET  47           HE3      MET  47  56.631  -5.265  -2.155
  368   3HE   MET  47           HE2      MET  47  58.005  -4.356  -1.533
  369    H    LEU  48           HN       LEU  48  60.448  -5.902   3.510
  370    HA   LEU  48           HA       LEU  48  61.061  -8.747   2.997
  371   1HB   LEU  48           HB2      LEU  48  62.707  -6.304   3.732
  372   2HB   LEU  48           HB1      LEU  48  63.397  -7.885   3.360
  373    HG   LEU  48           HG       LEU  48  61.457  -6.873   1.372
  374   1HD1  LEU  48          HD13      LEU  48  64.142  -5.543   1.831
  375   2HD1  LEU  48          HD12      LEU  48  63.205  -5.384   0.346
  376   3HD1  LEU  48          HD11      LEU  48  62.558  -4.769   1.866
  377   1HD2  LEU  48          HD21      LEU  48  63.914  -8.508   1.550
  378   2HD2  LEU  48          HD23      LEU  48  62.512  -8.697   0.497
  379   3HD2  LEU  48          HD22      LEU  48  63.776  -7.539   0.083
  380    H    GLY  49           HN       GLY  49  60.870  -6.496   5.723
  381   1HA   GLY  49           HA2      GLY  49  60.218  -8.140   7.765
  382   2HA   GLY  49           HA1      GLY  49  61.934  -8.511   7.593
  383    H    GLN  50           HN       GLN  50  63.002  -6.022   7.015
  384    HA   GLN  50           HA       GLN  50  63.316  -4.809   9.546
  385   1HB   GLN  50           HB2      GLN  50  63.793  -4.084   6.683
  386   2HB   GLN  50           HB1      GLN  50  63.968  -2.812   7.893
  387   1HG   GLN  50           HG2      GLN  50  65.262  -5.459   8.425
  388   2HG   GLN  50           HG1      GLN  50  66.021  -4.378   7.256
  389   1HE2  GLN  50          HE22      GLN  50  66.541  -3.638  11.146
  390   2HE2  GLN  50          HE21      GLN  50  65.958  -5.112  10.537
  391    H    ASN  51           HN       ASN  51  62.068  -3.351  10.678
  392    HA   ASN  51           HA       ASN  51  59.795  -2.039   9.220
  393   1HB   ASN  51           HB2      ASN  51  59.982  -3.330  11.956
  394   2HB   ASN  51           HB1      ASN  51  58.627  -2.306  11.474
  395   1HD2  ASN  51          HD22      ASN  51  58.568  -6.132  10.373
  396   2HD2  ASN  51          HD21      ASN  51  59.547  -5.512  11.612
  397    HA   PRO  52           HA       PRO  52  62.515   1.035  11.463
  398   1HB   PRO  52           HB2      PRO  52  63.203   2.522   9.272
  399   2HB   PRO  52           HB1      PRO  52  64.138   1.115   9.815
  400   1HG   PRO  52           HG2      PRO  52  62.178   1.339   7.593
  401   2HG   PRO  52           HG1      PRO  52  63.681   0.410   7.685
  402   1HD   PRO  52           HD2      PRO  52  61.182  -0.675   7.995
  403   2HD   PRO  52           HD1      PRO  52  62.665  -1.373   8.683
  404    H    THR  53           HN       THR  53  61.877   3.257  11.870
  405    HA   THR  53           HA       THR  53  59.074   3.826  11.204
  406    HB   THR  53           HB       THR  53  60.522   5.954  12.537
  407    HG1  THR  53           HG1      THR  53  61.877   4.833  13.651
  408   1HG2  THR  53          HG21      THR  53  58.082   4.589  12.705
  409   2HG2  THR  53          HG23      THR  53  58.898   4.250  14.232
  410   3HG2  THR  53          HG22      THR  53  58.618   5.918  13.734
  411    HA   PRO  54           HA       PRO  54  59.795   6.632   7.909
  412   1HB   PRO  54           HB2      PRO  54  57.899   8.550   8.368
  413   2HB   PRO  54           HB1      PRO  54  57.503   6.920   7.787
  414   1HG   PRO  54           HG2      PRO  54  57.291   8.055  10.527
  415   2HG   PRO  54           HG1      PRO  54  56.220   6.925   9.687
  416   1HD   PRO  54           HD2      PRO  54  58.048   6.175  11.580
  417   2HD   PRO  54           HD1      PRO  54  57.456   5.103  10.293
  418    H    GLU  55           HN       GLU  55  59.138   8.498  10.906
  419    HA   GLU  55           HA       GLU  55  60.671  10.797  10.202
  420   1HB   GLU  55           HB2      GLU  55  58.949  10.472  12.042
  421   2HB   GLU  55           HB1      GLU  55  60.203   9.644  12.965
  422   1HG   GLU  55           HG2      GLU  55  61.639  11.681  12.752
  423   2HG   GLU  55           HG1      GLU  55  60.292  12.505  11.966
  424    H    GLU  56           HN       GLU  56  61.665   7.635  11.209
  425    HA   GLU  56           HA       GLU  56  64.321   8.532  12.152
  426   1HB   GLU  56           HB2      GLU  56  62.717   6.007  12.017
  427   2HB   GLU  56           HB1      GLU  56  64.470   5.869  12.159
  428   1HG   GLU  56           HG2      GLU  56  63.695   7.875  13.991
  429   2HG   GLU  56           HG1      GLU  56  62.543   6.555  14.196
  430    H    LEU  57           HN       LEU  57  62.918   6.708   9.421
  431    HA   LEU  57           HA       LEU  57  65.312   5.977   8.096
  432   1HB   LEU  57           HB2      LEU  57  62.456   6.503   7.383
  433   2HB   LEU  57           HB1      LEU  57  63.607   6.339   6.057
  434    HG   LEU  57           HG       LEU  57  63.736   4.316   8.247
  435   1HD1  LEU  57          HD13      LEU  57  61.265   4.866   7.232
  436   2HD1  LEU  57          HD12      LEU  57  61.849   3.693   6.052
  437   3HD1  LEU  57          HD11      LEU  57  61.771   3.260   7.759
  438   1HD2  LEU  57          HD23      LEU  57  65.295   4.372   6.282
  439   2HD2  LEU  57          HD22      LEU  57  64.375   2.872   6.391
  440   3HD2  LEU  57          HD21      LEU  57  63.909   4.109   5.224
  441    H    GLN  58           HN       GLN  58  63.213   8.742   7.196
  442    HA   GLN  58           HA       GLN  58  64.860  10.057   5.400
  443   1HB   GLN  58           HB2      GLN  58  62.531  10.554   6.803
  444   2HB   GLN  58           HB1      GLN  58  63.600  11.836   7.375
  445   1HG   GLN  58           HG2      GLN  58  62.732  12.838   5.470
  446   2HG   GLN  58           HG1      GLN  58  64.168  12.065   4.798
  447   1HE2  GLN  58          HE22      GLN  58  61.202  11.122   2.696
  448   2HE2  GLN  58          HE21      GLN  58  61.913  12.599   3.139
  449    H    GLU  59           HN       GLU  59  65.266   9.840   8.886
  450    HA   GLU  59           HA       GLU  59  67.015  11.996   9.393
  451   1HB   GLU  59           HB2      GLU  59  65.931  10.153  10.897
  452   2HB   GLU  59           HB1      GLU  59  67.399   9.239  10.550
  453   1HG   GLU  59           HG2      GLU  59  68.359  10.372  12.251
  454   2HG   GLU  59           HG1      GLU  59  68.336  11.784  11.193
  455    H    MET  60           HN       MET  60  67.623   8.919   7.782
  456    HA   MET  60           HA       MET  60  70.549   9.418   7.711
  457   1HB   MET  60           HB2      MET  60  68.762   7.174   6.719
  458   2HB   MET  60           HB1      MET  60  70.524   7.147   6.660
  459   1HG   MET  60           HG2      MET  60  70.300   7.712   9.236
  460   2HG   MET  60           HG1      MET  60  68.706   6.984   9.036
  461   1HE   MET  60           HE1      MET  60  68.145   4.745   8.734
  462   2HE   MET  60           HE3      MET  60  68.814   4.670   7.097
  463   3HE   MET  60           HE2      MET  60  69.179   3.400   8.262
  464    H    ILE  61           HN       ILE  61  67.981   8.660   5.315
  465    HA   ILE  61           HA       ILE  61  69.298   9.106   2.930
  466    HB   ILE  61           HB       ILE  61  66.543  10.008   3.827
  467   1HG1  ILE  61          HG12      ILE  61  66.779   7.700   2.050
  468   2HG1  ILE  61          HG11      ILE  61  67.655   7.463   3.562
  469   1HG2  ILE  61          HG21      ILE  61  67.809  10.786   1.504
  470   2HG2  ILE  61          HG23      ILE  61  66.955   9.329   0.995
  471   3HG2  ILE  61          HG22      ILE  61  66.061  10.670   1.711
  472   1HD1  ILE  61          HD12      ILE  61  64.815   8.497   3.493
  473   2HD1  ILE  61          HD11      ILE  61  65.187   6.775   3.567
  474   3HD1  ILE  61          HD13      ILE  61  65.700   7.844   4.872
  475    H    ASP  62           HN       ASP  62  67.721  11.685   4.866
  476    HA   ASP  62           HA       ASP  62  68.283  13.952   3.398
  477   1HB   ASP  62           HB2      ASP  62  67.127  13.982   5.529
  478   2HB   ASP  62           HB1      ASP  62  68.576  13.434   6.373
  479    H    GLU  63           HN       GLU  63  70.598  11.925   5.102
  480    HA   GLU  63           HA       GLU  63  72.798  13.854   4.509
  481   1HB   GLU  63           HB2      GLU  63  72.765  11.289   6.131
  482   2HB   GLU  63           HB1      GLU  63  74.030  12.519   6.137
  483   1HG   GLU  63           HG2      GLU  63  71.314  13.533   6.712
  484   2HG   GLU  63           HG1      GLU  63  71.971  12.442   7.932
  485    H    VAL  64           HN       VAL  64  71.495  10.743   3.583
  486    HA   VAL  64           HA       VAL  64  73.941   9.891   2.179
  487    HB   VAL  64           HB       VAL  64  71.102   8.824   2.325
  488   1HG1  VAL  64          HG11      VAL  64  73.037   8.219   0.430
  489   2HG1  VAL  64          HG13      VAL  64  73.256   6.960   1.644
  490   3HG1  VAL  64          HG12      VAL  64  71.684   7.182   0.879
  491   1HG2  VAL  64          HG23      VAL  64  73.107   8.895   4.261
  492   2HG2  VAL  64          HG22      VAL  64  71.720   7.805   4.249
  493   3HG2  VAL  64          HG21      VAL  64  73.258   7.283   3.561
  494    H    ASP  65           HN       ASP  65  70.630  10.917   1.280
  495    HA   ASP  65           HA       ASP  65  71.486  11.152  -1.562
  496   1HB   ASP  65           HB2      ASP  65  69.092  10.519  -0.085
  497   2HB   ASP  65           HB1      ASP  65  68.772  11.886  -1.152
  498    H    GLU  66           HN       GLU  66  72.650  13.058   0.201
  499    HA   GLU  66           HA       GLU  66  71.098  15.535   0.176
  500   1HB   GLU  66           HB2      GLU  66  73.294  14.462   1.514
  501   2HB   GLU  66           HB1      GLU  66  73.997  15.737   0.519
  502   1HG   GLU  66           HG2      GLU  66  71.648  16.864   1.542
  503   2HG   GLU  66           HG1      GLU  66  72.338  15.971   2.897
  504    H    ASP  67           HN       ASP  67  72.651  13.854  -2.255
  505    HA   ASP  67           HA       ASP  67  73.176  16.384  -3.782
  506   1HB   ASP  67           HB2      ASP  67  74.882  14.134  -3.078
  507   2HB   ASP  67           HB1      ASP  67  74.797  14.346  -4.827
  508    H    GLY  68           HN       GLY  68  71.021  14.016  -3.550
  509   1HA   GLY  68           HA2      GLY  68  70.811  13.629  -6.511
  510   2HA   GLY  68           HA1      GLY  68  70.275  12.417  -5.346
  511    H    SER  69           HN       SER  69  68.332  12.798  -4.164
  512    HA   SER  69           HA       SER  69  66.789  15.160  -4.114
  513   1HB   SER  69           HB2      SER  69  66.972  13.880  -6.695
  514   2HB   SER  69           HB1      SER  69  65.302  13.838  -6.137
  515    HG   SER  69           HG       SER  69  65.845  16.175  -5.555
  516    H    GLY  70           HN       GLY  70  67.215  12.892  -2.439
  517   1HA   GLY  70           HA2      GLY  70  65.962  11.518  -1.003
  518   2HA   GLY  70           HA1      GLY  70  64.514  12.281  -1.664
  519    H    THR  71           HN       THR  71  66.830  10.696  -3.753
  520    HA   THR  71           HA       THR  71  64.851   8.477  -4.171
  521    HB   THR  71           HB       THR  71  65.520   8.617  -6.550
  522    HG1  THR  71           HG1      THR  71  67.242   9.676  -7.066
  523   1HG2  THR  71          HG21      THR  71  64.725  11.262  -5.304
  524   2HG2  THR  71          HG23      THR  71  64.576  10.875  -7.018
  525   3HG2  THR  71          HG22      THR  71  63.633   9.980  -5.826
  526    H    VAL  72           HN       VAL  72  65.712   6.436  -3.981
  527    HA   VAL  72           HA       VAL  72  68.689   6.206  -3.762
  528    HB   VAL  72           HB       VAL  72  67.914   3.984  -2.609
  529   1HG1  VAL  72          HG12      VAL  72  67.716   6.786  -1.550
  530   2HG1  VAL  72          HG11      VAL  72  67.374   5.412  -0.498
  531   3HG1  VAL  72          HG13      VAL  72  68.963   5.570  -1.252
  532   1HG2  VAL  72          HG23      VAL  72  65.471   4.636  -3.459
  533   2HG2  VAL  72          HG22      VAL  72  65.712   3.805  -1.923
  534   3HG2  VAL  72          HG21      VAL  72  65.452   5.549  -1.950
  535    H    ASP  73           HN       ASP  73  69.767   4.720  -5.023
  536    HA   ASP  73           HA       ASP  73  68.150   3.285  -7.099
  537   1HB   ASP  73           HB2      ASP  73  70.040   5.120  -7.493
  538   2HB   ASP  73           HB1      ASP  73  71.115   3.744  -7.245
  539    H    PHE  74           HN       PHE  74  69.936   1.350  -7.869
  540    HA   PHE  74           HA       PHE  74  69.747  -0.615  -5.788
  541   1HB   PHE  74           HB2      PHE  74  70.084  -0.656  -8.447
  542   2HB   PHE  74           HB1      PHE  74  71.776  -0.826  -7.978
  543    HD1  PHE  74           HD1      PHE  74  68.416  -2.353  -7.783
  544    HD2  PHE  74           HD2      PHE  74  72.585  -2.813  -6.857
  545    HE1  PHE  74           HE1      PHE  74  68.039  -4.751  -7.278
  546    HE2  PHE  74           HE2      PHE  74  72.208  -5.212  -6.353
  547    HZ   PHE  74           HZ       PHE  74  69.934  -6.181  -6.563
  548    H    ASP  75           HN       ASP  75  72.054   1.875  -6.409
  549    HA   ASP  75           HA       ASP  75  74.249   0.568  -4.936
  550   1HB   ASP  75           HB2      ASP  75  73.954   2.548  -6.888
  551   2HB   ASP  75           HB1      ASP  75  74.457   3.434  -5.447
  552    H    GLU  76           HN       GLU  76  71.892   3.194  -4.427
  553    HA   GLU  76           HA       GLU  76  72.941   3.923  -1.808
  554   1HB   GLU  76           HB2      GLU  76  70.242   4.458  -3.092
  555   2HB   GLU  76           HB1      GLU  76  70.992   5.389  -1.796
  556   1HG   GLU  76           HG2      GLU  76  72.970   5.643  -3.516
  557   2HG   GLU  76           HG1      GLU  76  71.722   5.269  -4.705
  558    H    PHE  77           HN       PHE  77  69.948   2.248  -2.887
  559    HA   PHE  77           HA       PHE  77  68.819   1.595  -0.424
  560   1HB   PHE  77           HB2      PHE  77  67.846   1.111  -2.626
  561   2HB   PHE  77           HB1      PHE  77  69.099  -0.092  -2.932
  562    HD1  PHE  77           HD2      PHE  77  67.325   0.548   0.280
  563    HD2  PHE  77           HD1      PHE  77  67.833  -2.102  -3.063
  564    HE1  PHE  77           HE2      PHE  77  65.961  -1.171   1.435
  565    HE2  PHE  77           HE1      PHE  77  66.469  -3.819  -1.908
  566    HZ   PHE  77           HZ       PHE  77  65.532  -3.355   0.340
  567    H    LEU  78           HN       LEU  78  70.986  -0.627  -2.227
  568    HA   LEU  78           HA       LEU  78  71.405  -2.572  -0.288
  569   1HB   LEU  78           HB2      LEU  78  73.357  -1.293  -2.230
  570   2HB   LEU  78           HB1      LEU  78  73.631  -2.839  -1.425
  571    HG   LEU  78           HG       LEU  78  71.373  -2.162  -3.329
  572   1HD1  LEU  78          HD13      LEU  78  74.004  -3.279  -3.655
  573   2HD1  LEU  78          HD12      LEU  78  72.802  -4.515  -4.025
  574   3HD1  LEU  78          HD11      LEU  78  72.778  -2.976  -4.886
  575   1HD2  LEU  78          HD22      LEU  78  71.906  -4.623  -1.640
  576   2HD2  LEU  78          HD21      LEU  78  70.485  -3.579  -1.580
  577   3HD2  LEU  78          HD23      LEU  78  70.774  -4.595  -2.993
  578    H    VAL  79           HN       VAL  79  73.303   0.449  -0.653
  579    HA   VAL  79           HA       VAL  79  75.054   0.091   1.545
  580    HB   VAL  79           HB       VAL  79  73.775   2.616   0.441
  581   1HG1  VAL  79          HG11      VAL  79  75.892   2.086   2.432
  582   2HG1  VAL  79          HG13      VAL  79  76.329   3.253   1.185
  583   3HG1  VAL  79          HG12      VAL  79  74.909   3.530   2.192
  584   1HG2  VAL  79          HG21      VAL  79  75.068   0.882  -1.079
  585   2HG2  VAL  79          HG23      VAL  79  75.392   2.608  -1.237
  586   3HG2  VAL  79          HG22      VAL  79  76.492   1.585  -0.313
  587    H    MET  80           HN       MET  80  71.733   1.331   1.421
  588    HA   MET  80           HA       MET  80  71.651   2.160   4.207
  589   1HB   MET  80           HB2      MET  80  69.425   1.476   2.260
  590   2HB   MET  80           HB1      MET  80  69.282   2.485   3.698
  591   1HG   MET  80           HG2      MET  80  71.443   3.456   2.060
  592   2HG   MET  80           HG1      MET  80  69.982   3.313   1.083
  593   1HE   MET  80           HE3      MET  80  68.334   4.614   0.916
  594   2HE   MET  80           HE2      MET  80  67.912   6.081   1.797
  595   3HE   MET  80           HE1      MET  80  69.359   6.050   0.791
  596    H    MET  81           HN       MET  81  70.843  -0.791   2.426
  597    HA   MET  81           HA       MET  81  69.384  -2.119   4.513
  598   1HB   MET  81           HB2      MET  81  70.372  -2.590   1.870
  599   2HB   MET  81           HB1      MET  81  70.855  -3.954   2.878
  600   1HG   MET  81           HG2      MET  81  68.136  -3.167   3.484
  601   2HG   MET  81           HG1      MET  81  68.312  -3.499   1.761
  602   1HE   MET  81           HE2      MET  81  66.528  -4.749   3.639
  603   2HE   MET  81           HE1      MET  81  66.731  -6.486   3.849
  604   3HE   MET  81           HE3      MET  81  67.385  -5.364   5.050
  605    H    VAL  82           HN       VAL  82  72.751  -2.738   3.425
  606    HA   VAL  82           HA       VAL  82  73.587  -4.409   5.502
  607    HB   VAL  82           HB       VAL  82  75.851  -3.511   4.937
  608   1HG1  VAL  82          HG13      VAL  82  73.876  -4.584   3.122
  609   2HG1  VAL  82          HG12      VAL  82  74.993  -3.541   2.243
  610   3HG1  VAL  82          HG11      VAL  82  75.610  -4.901   3.181
  611   1HG2  VAL  82          HG22      VAL  82  74.212  -1.230   4.167
  612   2HG2  VAL  82          HG21      VAL  82  75.956  -1.315   4.417
  613   3HG2  VAL  82          HG23      VAL  82  75.269  -1.735   2.848
  614    H    ARG  83           HN       ARG  83  72.930  -0.980   5.613
  615    HA   ARG  83           HA       ARG  83  74.431  -0.415   8.039
  616   1HB   ARG  83           HB2      ARG  83  73.776   1.240   6.295
  617   2HB   ARG  83           HB1      ARG  83  72.083   1.001   6.733
  618   1HG   ARG  83           HG2      ARG  83  72.274   2.432   8.458
  619   2HG   ARG  83           HG1      ARG  83  73.643   1.526   9.104
  620   1HD   ARG  83           HD2      ARG  83  75.115   2.706   7.409
  621   2HD   ARG  83           HD1      ARG  83  73.725   3.747   7.039
  622    HE   ARG  83           HE       ARG  83  73.982   4.771   9.163
  623   1HH1  ARG  83          HH21      ARG  83  73.958   2.332  10.849
  624   2HH1  ARG  83          HH22      ARG  83  75.558   2.311  11.512
  625   1HH2  ARG  83          HH11      ARG  83  76.837   4.541   9.183
  626   2HH2  ARG  83          HH12      ARG  83  77.189   3.561  10.569
  627    H    CYS  84           HN       CYS  84  70.892  -0.563   7.441
  628    HA   CYS  84           HA       CYS  84  70.517  -1.228  10.332
  629   1HB   CYS  84           HB2      CYS  84  68.984   0.167   8.180
  630   2HB   CYS  84           HB1      CYS  84  68.055  -0.654   9.435
  631    HG   CYS  84           HG       CYS  84  69.813   0.824  11.083
  632    H    MET  85           HN       MET  85  70.755  -3.496  10.350
  633    HA   MET  85           HA       MET  85  68.567  -5.025   9.072
  634   1HB   MET  85           HB2      MET  85  70.373  -6.599   8.127
  635   2HB   MET  85           HB1      MET  85  70.180  -5.046   7.311
  636   1HG   MET  85           HG2      MET  85  72.249  -4.352   7.912
  637   2HG   MET  85           HG1      MET  85  72.049  -4.928   9.567
  638   1HE   MET  85           HE3      MET  85  71.441  -6.498   6.322
  639   2HE   MET  85           HE2      MET  85  73.103  -6.268   5.784
  640   3HE   MET  85           HE1      MET  85  72.525  -7.888   6.169
  641    H    LYS  86           HN       LYS  86  68.603  -4.760  11.711
  642    HA   LYS  86           HA       LYS  86  70.306  -6.300  13.340
  643   1HB   LYS  86           HB2      LYS  86  68.333  -4.698  13.858
  644   2HB   LYS  86           HB1      LYS  86  67.313  -6.129  13.706
  645   1HG   LYS  86           HG2      LYS  86  68.678  -7.273  15.428
  646   2HG   LYS  86           HG1      LYS  86  69.661  -5.818  15.601
  647   1HD   LYS  86           HD2      LYS  86  66.660  -5.777  15.961
  648   2HD   LYS  86           HD1      LYS  86  67.761  -6.114  17.298
  649   1HE   LYS  86           HE2      LYS  86  68.092  -3.890  17.560
  650   2HE   LYS  86           HE1      LYS  86  68.739  -3.801  15.909
  651   1HZ   LYS  86           HZ1      LYS  86  65.834  -3.965  16.452
  652   2HZ   LYS  86           HZ3      LYS  86  66.640  -2.475  16.375
  653   3HZ   LYS  86           HZ2      LYS  86  66.610  -3.495  15.016
  654    H    ASP  87           HN       ASP  87  67.960  -7.371  11.015
  655    HA   ASP  87           HA       ASP  87  67.351  -9.553  10.334
  656   1HB   ASP  87           HB2      ASP  87  69.993  -9.665  11.614
  657   2HB   ASP  87           HB1      ASP  87  69.137 -11.207  11.661
  658    H    ASP  88           HN       ASP  88  65.339  -9.531  11.525
  659    HA   ASP  88           HA       ASP  88  65.395 -10.661  14.284
  660   1HB   ASP  88           HB2      ASP  88  64.173  -8.522  13.577
  661   2HB   ASP  88           HB1      ASP  88  63.056  -9.569  12.703
  662    H    SER  89           HN       SER  89  63.524 -12.255  14.721
  663    HA   SER  89           HA       SER  89  63.050 -14.044  12.362
  664   1HB   SER  89           HB2      SER  89  64.733 -14.452  14.622
  665   2HB   SER  89           HB1      SER  89  63.348 -15.524  14.811
  666    HG   SER  89           HG       SER  89  65.432 -15.739  13.151
   
  No H/Q in entry =         666
  Start of MODEL    3
    1   1H    MET   1           HT1      MET   1  89.703   9.796   3.095
    2   2H    MET   1           HT3      MET   1  88.394  10.873   3.113
    3   3H    MET   1           HT2      MET   1  89.523  10.890   4.383
    4    HA   MET   1           HA       MET   1  88.630   9.090   5.415
    5   1HB   MET   1           HB2      MET   1  86.838  10.915   4.164
    6   2HB   MET   1           HB1      MET   1  86.084   9.322   4.095
    7   1HG   MET   1           HG2      MET   1  87.110   9.368   6.652
    8   2HG   MET   1           HG1      MET   1  86.612  11.044   6.419
    9   1HE   MET   1           HE1      MET   1  85.897   7.600   5.541
   10   2HE   MET   1           HE3      MET   1  84.309   7.193   6.204
   11   3HE   MET   1           HE2      MET   1  84.440   7.913   4.601
   12    H    ASP   2           HN       ASP   2  88.048   6.874   5.284
   13    HA   ASP   2           HA       ASP   2  88.325   5.666   2.574
   14   1HB   ASP   2           HB2      ASP   2  88.906   4.958   5.387
   15   2HB   ASP   2           HB1      ASP   2  88.312   3.623   4.399
   16    H    ASP   3           HN       ASP   3  86.562   4.764   1.577
   17    HA   ASP   3           HA       ASP   3  83.903   5.041   2.569
   18   1HB   ASP   3           HB2      ASP   3  84.800   4.739   0.188
   19   2HB   ASP   3           HB1      ASP   3  84.892   3.014   0.549
   20    H    ILE   4           HN       ILE   4  82.726   3.752   3.946
   21    HA   ILE   4           HA       ILE   4  83.931   1.135   4.771
   22    HB   ILE   4           HB       ILE   4  82.920   1.551   6.898
   23   1HG1  ILE   4          HG12      ILE   4  81.492   3.849   6.911
   24   2HG1  ILE   4          HG11      ILE   4  81.144   3.298   5.271
   25   1HG2  ILE   4          HG23      ILE   4  84.889   2.965   6.430
   26   2HG2  ILE   4          HG22      ILE   4  83.834   4.212   5.764
   27   3HG2  ILE   4          HG21      ILE   4  83.745   3.804   7.477
   28   1HD1  ILE   4          HD13      ILE   4  80.986   1.074   7.107
   29   2HD1  ILE   4          HD12      ILE   4  79.952   2.388   7.666
   30   3HD1  ILE   4          HD11      ILE   4  79.735   1.723   6.047
   31    H    TYR   5           HN       TYR   5  81.254   2.602   3.181
   32    HA   TYR   5           HA       TYR   5  79.272   0.541   3.734
   33   1HB   TYR   5           HB2      TYR   5  79.572   2.720   1.647
   34   2HB   TYR   5           HB1      TYR   5  78.120   1.733   1.823
   35    HD1  TYR   5           HD2      TYR   5  76.796   1.815   3.942
   36    HD2  TYR   5           HD1      TYR   5  80.081   4.481   3.195
   37    HE1  TYR   5           HE2      TYR   5  76.007   3.299   5.766
   38    HE2  TYR   5           HE1      TYR   5  79.291   5.964   5.019
   39    HH   TYR   5           HH       TYR   5  76.288   5.879   6.287
   40    H    LYS   6           HN       LYS   6  81.753   1.063   1.269
   41    HA   LYS   6           HA       LYS   6  81.003  -0.597  -0.817
   42   1HB   LYS   6           HB2      LYS   6  83.456   0.354   0.443
   43   2HB   LYS   6           HB1      LYS   6  83.686  -1.220  -0.319
   44   1HG   LYS   6           HG2      LYS   6  82.385  -0.143  -2.324
   45   2HG   LYS   6           HG1      LYS   6  82.859   1.382  -1.574
   46   1HD   LYS   6           HD2      LYS   6  84.873   1.178  -2.555
   47   2HD   LYS   6           HD1      LYS   6  85.169  -0.243  -1.551
   48   1HE   LYS   6           HE2      LYS   6  85.409  -0.731  -4.002
   49   2HE   LYS   6           HE1      LYS   6  84.114  -1.685  -3.252
   50   1HZ   LYS   6           HZ3      LYS   6  83.391   0.972  -4.193
   51   2HZ   LYS   6           HZ2      LYS   6  83.719  -0.178  -5.401
   52   3HZ   LYS   6           HZ1      LYS   6  82.505  -0.474  -4.248
   53    H    ALA   7           HN       ALA   7  81.957  -1.564   2.435
   54    HA   ALA   7           HA       ALA   7  82.251  -4.399   1.798
   55   1HB   ALA   7           HB3      ALA   7  82.554  -2.555   4.031
   56   2HB   ALA   7           HB2      ALA   7  81.768  -4.048   4.543
   57   3HB   ALA   7           HB1      ALA   7  83.347  -4.107   3.759
   58    H    ALA   8           HN       ALA   8  79.619  -2.269   2.639
   59    HA   ALA   8           HA       ALA   8  77.736  -4.004   3.805
   60   1HB   ALA   8           HB3      ALA   8  77.541  -1.702   1.852
   61   2HB   ALA   8           HB2      ALA   8  76.108  -2.452   2.552
   62   3HB   ALA   8           HB1      ALA   8  77.292  -1.668   3.598
   63    H    VAL   9           HN       VAL   9  78.400  -3.465   0.331
   64    HA   VAL   9           HA       VAL   9  76.467  -5.509  -0.495
   65    HB   VAL   9           HB       VAL   9  78.653  -4.092  -2.050
   66   1HG1  VAL   9          HG13      VAL   9  76.637  -6.020  -2.737
   67   2HG1  VAL   9          HG12      VAL   9  76.256  -4.490  -3.525
   68   3HG1  VAL   9          HG11      VAL   9  77.826  -5.252  -3.789
   69   1HG2  VAL   9          HG23      VAL   9  76.272  -3.062  -0.755
   70   2HG2  VAL   9          HG22      VAL   9  77.524  -2.183  -1.632
   71   3HG2  VAL   9          HG21      VAL   9  76.155  -2.871  -2.504
   72    H    GLU  10           HN       GLU  10  79.999  -5.246  -0.167
   73    HA   GLU  10           HA       GLU  10  80.909  -7.528  -1.470
   74   1HB   GLU  10           HB2      GLU  10  81.794  -5.692   0.474
   75   2HB   GLU  10           HB1      GLU  10  82.077  -7.286   1.176
   76   1HG   GLU  10           HG2      GLU  10  82.897  -7.629  -1.438
   77   2HG   GLU  10           HG1      GLU  10  83.413  -5.979  -1.089
   78    H    GLN  11           HN       GLN  11  79.541  -7.379   1.835
   79    HA   GLN  11           HA       GLN  11  79.765 -10.179   2.405
   80   1HB   GLN  11           HB2      GLN  11  78.525  -7.748   3.476
   81   2HB   GLN  11           HB1      GLN  11  77.576  -9.197   3.813
   82   1HG   GLN  11           HG2      GLN  11  79.213  -8.807   5.607
   83   2HG   GLN  11           HG1      GLN  11  79.596 -10.293   4.737
   84   1HE2  GLN  11          HE22      GLN  11  81.938  -7.063   3.727
   85   2HE2  GLN  11          HE21      GLN  11  80.260  -6.854   3.874
   86    H    LEU  12           HN       LEU  12  77.435  -8.306   0.569
   87    HA   LEU  12           HA       LEU  12  75.382 -10.398   0.543
   88   1HB   LEU  12           HB2      LEU  12  75.825  -7.864  -1.072
   89   2HB   LEU  12           HB1      LEU  12  74.339  -8.815  -1.080
   90    HG   LEU  12           HG       LEU  12  75.532  -7.707   1.467
   91   1HD1  LEU  12          HD12      LEU  12  74.498  -6.179  -0.640
   92   2HD1  LEU  12          HD11      LEU  12  73.157  -6.337   0.495
   93   3HD1  LEU  12          HD13      LEU  12  74.693  -5.659   1.034
   94   1HD2  LEU  12          HD21      LEU  12  73.636  -9.610   1.119
   95   2HD2  LEU  12          HD23      LEU  12  73.624  -8.485   2.478
   96   3HD2  LEU  12          HD22      LEU  12  72.623  -8.167   1.061
   97    H    THR  13           HN       THR  13  74.856 -11.694  -1.313
   98    HA   THR  13           HA       THR  13  77.155 -12.114  -3.180
   99    HB   THR  13           HB       THR  13  76.019 -14.348  -3.469
  100    HG1  THR  13           HG1      THR  13  74.118 -14.613  -2.643
  101   1HG2  THR  13          HG21      THR  13  77.702 -13.555  -1.540
  102   2HG2  THR  13          HG23      THR  13  76.321 -13.982  -0.530
  103   3HG2  THR  13          HG22      THR  13  77.042 -15.190  -1.593
  104    H    GLU  14           HN       GLU  14  76.570 -12.629  -5.457
  105    HA   GLU  14           HA       GLU  14  74.986 -10.722  -6.752
  106   1HB   GLU  14           HB2      GLU  14  76.661 -12.253  -7.773
  107   2HB   GLU  14           HB1      GLU  14  75.533 -13.594  -7.571
  108   1HG   GLU  14           HG2      GLU  14  73.911 -12.499  -9.035
  109   2HG   GLU  14           HG1      GLU  14  74.962 -11.090  -9.183
  110    H    GLU  15           HN       GLU  15  74.025 -14.119  -6.093
  111    HA   GLU  15           HA       GLU  15  71.371 -14.026  -6.977
  112   1HB   GLU  15           HB2      GLU  15  73.067 -15.707  -5.493
  113   2HB   GLU  15           HB1      GLU  15  71.652 -15.465  -4.468
  114   1HG   GLU  15           HG2      GLU  15  71.548 -16.307  -7.379
  115   2HG   GLU  15           HG1      GLU  15  71.380 -17.405  -6.008
  116    H    GLN  16           HN       GLN  16  72.714 -12.871  -3.897
  117    HA   GLN  16           HA       GLN  16  70.337 -12.373  -2.462
  118   1HB   GLN  16           HB2      GLN  16  73.077 -11.886  -2.253
  119   2HB   GLN  16           HB1      GLN  16  72.357 -10.275  -2.219
  120   1HG   GLN  16           HG2      GLN  16  71.198 -12.486  -0.538
  121   2HG   GLN  16           HG1      GLN  16  72.602 -11.581   0.028
  122   1HE2  GLN  16          HE22      GLN  16  68.994  -9.935   0.451
  123   2HE2  GLN  16          HE21      GLN  16  69.253 -11.584   0.140
  124    H    LYS  17           HN       LYS  17  72.102 -10.108  -4.615
  125    HA   LYS  17           HA       LYS  17  70.376  -7.906  -4.503
  126   1HB   LYS  17           HB2      LYS  17  71.910  -9.120  -6.824
  127   2HB   LYS  17           HB1      LYS  17  71.256  -7.482  -6.821
  128   1HG   LYS  17           HG2      LYS  17  72.577  -7.082  -4.685
  129   2HG   LYS  17           HG1      LYS  17  73.382  -8.621  -4.994
  130   1HD   LYS  17           HD2      LYS  17  74.290  -7.832  -7.067
  131   2HD   LYS  17           HD1      LYS  17  73.276  -6.389  -7.035
  132   1HE   LYS  17           HE2      LYS  17  74.542  -5.383  -5.321
  133   2HE   LYS  17           HE1      LYS  17  75.241  -6.932  -4.806
  134   1HZ   LYS  17           HZ1      LYS  17  75.646  -6.016  -7.569
  135   2HZ   LYS  17           HZ3      LYS  17  76.605  -5.349  -6.339
  136   3HZ   LYS  17           HZ2      LYS  17  76.626  -7.026  -6.616
  137    H    ASN  18           HN       ASN  18  69.883 -11.000  -6.086
  138    HA   ASN  18           HA       ASN  18  67.796 -10.257  -7.903
  139   1HB   ASN  18           HB2      ASN  18  69.230 -12.524  -7.142
  140   2HB   ASN  18           HB1      ASN  18  67.568 -12.912  -6.696
  141   1HD2  ASN  18          HD22      ASN  18  68.235 -13.707 -10.360
  142   2HD2  ASN  18          HD21      ASN  18  69.095 -14.094  -8.949
  143    H    GLU  19           HN       GLU  19  67.817 -10.876  -4.443
  144    HA   GLU  19           HA       GLU  19  64.947 -11.241  -4.162
  145   1HB   GLU  19           HB2      GLU  19  66.547 -12.111  -2.545
  146   2HB   GLU  19           HB1      GLU  19  67.185 -10.492  -2.254
  147   1HG   GLU  19           HG2      GLU  19  65.348  -9.836  -1.013
  148   2HG   GLU  19           HG1      GLU  19  64.255 -10.934  -1.858
  149    H    PHE  20           HN       PHE  20  67.151  -8.502  -3.452
  150    HA   PHE  20           HA       PHE  20  65.008  -6.660  -2.814
  151   1HB   PHE  20           HB2      PHE  20  67.939  -6.725  -3.082
  152   2HB   PHE  20           HB1      PHE  20  67.230  -5.169  -3.513
  153    HD1  PHE  20           HD2      PHE  20  64.864  -5.073  -1.745
  154    HD2  PHE  20           HD1      PHE  20  68.872  -6.390  -0.942
  155    HE1  PHE  20           HE2      PHE  20  64.555  -4.545   0.658
  156    HE2  PHE  20           HE1      PHE  20  68.565  -5.861   1.461
  157    HZ   PHE  20           HZ       PHE  20  66.406  -4.939   2.261
  158    H    LYS  21           HN       LYS  21  66.524  -7.708  -5.775
  159    HA   LYS  21           HA       LYS  21  65.846  -5.410  -7.403
  160   1HB   LYS  21           HB2      LYS  21  67.612  -7.009  -7.965
  161   2HB   LYS  21           HB1      LYS  21  66.436  -8.321  -8.031
  162   1HG   LYS  21           HG2      LYS  21  65.948  -7.825 -10.169
  163   2HG   LYS  21           HG1      LYS  21  65.543  -6.168  -9.718
  164   1HD   LYS  21           HD2      LYS  21  67.327  -5.713 -11.098
  165   2HD   LYS  21           HD1      LYS  21  68.219  -5.977  -9.599
  166   1HE   LYS  21           HE2      LYS  21  67.779  -8.539 -10.788
  167   2HE   LYS  21           HE1      LYS  21  68.428  -7.459 -12.039
  168   1HZ   LYS  21           HZ1      LYS  21  70.054  -6.686 -10.319
  169   2HZ   LYS  21           HZ3      LYS  21  69.545  -7.973  -9.338
  170   3HZ   LYS  21           HZ2      LYS  21  70.279  -8.288 -10.839
  171    H    ALA  22           HN       ALA  22  64.258  -8.533  -6.740
  172    HA   ALA  22           HA       ALA  22  62.108  -8.215  -8.625
  173   1HB   ALA  22           HB1      ALA  22  62.989 -10.288  -7.388
  174   2HB   ALA  22           HB3      ALA  22  62.049  -9.727  -6.005
  175   3HB   ALA  22           HB2      ALA  22  61.236 -10.141  -7.515
  176    H    ALA  23           HN       ALA  23  62.614  -7.046  -5.342
  177    HA   ALA  23           HA       ALA  23  59.788  -6.130  -5.154
  178   1HB   ALA  23           HB2      ALA  23  62.147  -6.315  -3.269
  179   2HB   ALA  23           HB1      ALA  23  60.644  -5.515  -2.813
  180   3HB   ALA  23           HB3      ALA  23  60.642  -7.232  -3.211
  181    H    PHE  24           HN       PHE  24  62.692  -4.972  -6.352
  182    HA   PHE  24           HA       PHE  24  62.230  -2.160  -5.497
  183   1HB   PHE  24           HB2      PHE  24  64.476  -3.140  -5.332
  184   2HB   PHE  24           HB1      PHE  24  64.440  -3.547  -7.048
  185    HD1  PHE  24           HD2      PHE  24  64.605  -1.814  -8.762
  186    HD2  PHE  24           HD1      PHE  24  64.734  -0.833  -4.586
  187    HE1  PHE  24           HE2      PHE  24  65.452   0.451  -9.322
  188    HE2  PHE  24           HE1      PHE  24  65.582   1.432  -5.141
  189    HZ   PHE  24           HZ       PHE  24  65.940   2.073  -7.511
  190    H    ASP  25           HN       ASP  25  62.926  -3.896  -8.565
  191    HA   ASP  25           HA       ASP  25  62.301  -1.839 -10.371
  192   1HB   ASP  25           HB2      ASP  25  63.288  -4.119 -10.810
  193   2HB   ASP  25           HB1      ASP  25  61.664  -4.791 -10.661
  194    H    ILE  26           HN       ILE  26  60.148  -3.690  -8.354
  195    HA   ILE  26           HA       ILE  26  57.740  -3.136  -9.934
  196    HB   ILE  26           HB       ILE  26  58.139  -4.139  -7.099
  197   1HG1  ILE  26          HG12      ILE  26  58.097  -5.501  -9.799
  198   2HG1  ILE  26          HG11      ILE  26  59.308  -5.642  -8.524
  199   1HG2  ILE  26          HG23      ILE  26  55.805  -3.379  -8.477
  200   2HG2  ILE  26          HG22      ILE  26  55.838  -5.140  -8.559
  201   3HG2  ILE  26          HG21      ILE  26  55.893  -4.328  -6.994
  202   1HD1  ILE  26          HD13      ILE  26  57.370  -6.594  -7.085
  203   2HD1  ILE  26          HD12      ILE  26  56.537  -6.819  -8.623
  204   3HD1  ILE  26          HD11      ILE  26  58.070  -7.636  -8.323
  205    H    PHE  27           HN       PHE  27  59.632  -1.034  -8.391
  206    HA   PHE  27           HA       PHE  27  57.369   0.743  -7.687
  207   1HB   PHE  27           HB2      PHE  27  59.525  -0.200  -5.773
  208   2HB   PHE  27           HB1      PHE  27  58.447   1.155  -5.438
  209    HD1  PHE  27           HD1      PHE  27  55.899   0.712  -5.592
  210    HD2  PHE  27           HD2      PHE  27  58.846  -2.399  -5.291
  211    HE1  PHE  27           HE1      PHE  27  54.154  -0.866  -4.811
  212    HE2  PHE  27           HE2      PHE  27  57.100  -3.978  -4.511
  213    HZ   PHE  27           HZ       PHE  27  54.753  -3.211  -4.271
  214    H    VAL  28           HN       VAL  28  59.496   0.731  -9.752
  215    HA   VAL  28           HA       VAL  28  61.450   2.759  -8.936
  216    HB   VAL  28           HB       VAL  28  60.762   1.149 -11.374
  217   1HG1  VAL  28          HG13      VAL  28  61.139   3.445 -12.220
  218   2HG1  VAL  28          HG12      VAL  28  62.677   3.505 -11.357
  219   3HG1  VAL  28          HG11      VAL  28  62.456   2.366 -12.685
  220   1HG2  VAL  28          HG23      VAL  28  63.138   1.549  -9.561
  221   2HG2  VAL  28          HG22      VAL  28  62.272   0.058  -9.929
  222   3HG2  VAL  28          HG21      VAL  28  63.324   0.787 -11.140
  223    H    LEU  29           HN       LEU  29  58.248   2.924  -9.652
  224    HA   LEU  29           HA       LEU  29  56.835   4.587 -10.599
  225   1HB   LEU  29           HB2      LEU  29  58.705   5.540  -8.610
  226   2HB   LEU  29           HB1      LEU  29  58.298   6.844  -9.726
  227    HG   LEU  29           HG       LEU  29  55.886   5.450  -9.165
  228   1HD1  LEU  29          HD11      LEU  29  57.745   5.680  -6.860
  229   2HD1  LEU  29          HD13      LEU  29  56.090   6.218  -6.575
  230   3HD1  LEU  29          HD12      LEU  29  56.401   4.568  -7.115
  231   1HD2  LEU  29          HD22      LEU  29  57.037   8.126  -9.017
  232   2HD2  LEU  29          HD21      LEU  29  55.382   7.644  -9.389
  233   3HD2  LEU  29          HD23      LEU  29  55.888   7.840  -7.711
  234    H    GLY  30           HN       GLY  30  59.143   3.715 -12.352
  235   1HA   GLY  30           HA2      GLY  30  60.298   4.461 -14.269
  236   2HA   GLY  30           HA1      GLY  30  58.799   5.341 -14.569
  237    H    ALA  31           HN       ALA  31  61.247   5.774 -12.009
  238    HA   ALA  31           HA       ALA  31  61.199   8.675 -12.381
  239   1HB   ALA  31           HB3      ALA  31  61.554   7.109 -10.271
  240   2HB   ALA  31           HB2      ALA  31  63.245   7.189 -10.767
  241   3HB   ALA  31           HB1      ALA  31  62.372   8.668 -10.367
  242    H    GLU  32           HN       GLU  32  64.080   8.985 -11.804
  243    HA   GLU  32           HA       GLU  32  65.166   9.553 -14.294
  244   1HB   GLU  32           HB2      GLU  32  66.076   9.086 -11.562
  245   2HB   GLU  32           HB1      GLU  32  67.311   8.649 -12.744
  246   1HG   GLU  32           HG2      GLU  32  65.905  11.182 -13.312
  247   2HG   GLU  32           HG1      GLU  32  66.888  11.197 -11.847
  248    H    ASP  33           HN       ASP  33  66.452   6.736 -12.527
  249    HA   ASP  33           HA       ASP  33  65.990   4.968 -14.854
  250   1HB   ASP  33           HB2      ASP  33  68.531   4.536 -14.883
  251   2HB   ASP  33           HB1      ASP  33  67.982   6.066 -15.566
  252    H    GLY  34           HN       GLY  34  64.875   3.573 -13.388
  253   1HA   GLY  34           HA2      GLY  34  64.719   1.815 -11.843
  254   2HA   GLY  34           HA1      GLY  34  66.473   1.674 -11.967
  255    H    CYS  35           HN       CYS  35  64.405   4.336 -10.777
  256    HA   CYS  35           HA       CYS  35  65.805   4.091  -8.133
  257   1HB   CYS  35           HB2      CYS  35  65.041   6.630  -9.611
  258   2HB   CYS  35           HB1      CYS  35  65.986   6.520  -8.125
  259    HG   CYS  35           HG       CYS  35  67.535   4.922  -9.989
  260    H    ILE  36           HN       ILE  36  64.511   4.775  -6.306
  261    HA   ILE  36           HA       ILE  36  61.586   5.086  -6.907
  262    HB   ILE  36           HB       ILE  36  61.140   3.584  -5.087
  263   1HG1  ILE  36          HG12      ILE  36  64.122   3.669  -4.511
  264   2HG1  ILE  36          HG11      ILE  36  62.882   4.486  -3.557
  265   1HG2  ILE  36          HG23      ILE  36  62.505   2.815  -7.350
  266   2HG2  ILE  36          HG22      ILE  36  63.476   2.091  -6.068
  267   3HG2  ILE  36          HG21      ILE  36  61.759   1.708  -6.199
  268   1HD1  ILE  36          HD13      ILE  36  62.894   1.499  -4.059
  269   2HD1  ILE  36          HD12      ILE  36  63.611   2.246  -2.631
  270   3HD1  ILE  36          HD11      ILE  36  61.877   2.389  -2.925
  271    H    SER  37           HN       SER  37  60.419   6.020  -4.926
  272    HA   SER  37           HA       SER  37  61.930   8.384  -3.975
  273   1HB   SER  37           HB2      SER  37  59.028   7.526  -3.738
  274   2HB   SER  37           HB1      SER  37  59.656   9.107  -3.283
  275    HG   SER  37           HG       SER  37  60.085   8.040  -5.859
  276    H    THR  38           HN       THR  38  62.662   8.562  -1.875
  277    HA   THR  38           HA       THR  38  63.015   6.495  -0.078
  278    HB   THR  38           HB       THR  38  62.861   8.446   1.653
  279    HG1  THR  38           HG1      THR  38  62.973  10.472   0.335
  280   1HG2  THR  38          HG22      THR  38  64.802   7.626  -0.120
  281   2HG2  THR  38          HG21      THR  38  64.682   9.351  -0.467
  282   3HG2  THR  38          HG23      THR  38  65.045   8.804   1.170
  283    H    LYS  39           HN       LYS  39  60.086   8.465  -0.485
  284    HA   LYS  39           HA       LYS  39  58.630   7.633   1.803
  285   1HB   LYS  39           HB2      LYS  39  57.678   8.213  -1.024
  286   2HB   LYS  39           HB1      LYS  39  56.683   8.292   0.431
  287   1HG   LYS  39           HG2      LYS  39  59.129   9.843   0.726
  288   2HG   LYS  39           HG1      LYS  39  58.181  10.385  -0.657
  289   1HD   LYS  39           HD2      LYS  39  56.495   9.823   1.653
  290   2HD   LYS  39           HD1      LYS  39  57.715  11.046   2.013
  291   1HE   LYS  39           HE2      LYS  39  56.440  11.409  -0.619
  292   2HE   LYS  39           HE1      LYS  39  55.324  11.575   0.751
  293   1HZ   LYS  39           HZ1      LYS  39  57.972  12.761   1.048
  294   2HZ   LYS  39           HZ3      LYS  39  56.910  13.545  -0.018
  295   3HZ   LYS  39           HZ2      LYS  39  56.467  13.315   1.606
  296    H    GLU  40           HN       GLU  40  59.415   5.937  -1.157
  297    HA   GLU  40           HA       GLU  40  57.420   3.809  -0.721
  298   1HB   GLU  40           HB2      GLU  40  59.696   4.268  -2.675
  299   2HB   GLU  40           HB1      GLU  40  58.615   2.875  -2.750
  300   1HG   GLU  40           HG2      GLU  40  57.571   5.710  -2.722
  301   2HG   GLU  40           HG1      GLU  40  57.993   4.882  -4.222
  302    H    LEU  41           HN       LEU  41  60.849   4.399  -0.150
  303    HA   LEU  41           HA       LEU  41  61.927   1.864   0.221
  304   1HB   LEU  41           HB2      LEU  41  62.200   4.506   1.634
  305   2HB   LEU  41           HB1      LEU  41  63.113   3.117   2.216
  306    HG   LEU  41           HG       LEU  41  64.287   4.609   0.492
  307   1HD1  LEU  41          HD12      LEU  41  63.998   1.662   0.509
  308   2HD1  LEU  41          HD11      LEU  41  64.753   2.342  -0.931
  309   3HD1  LEU  41          HD13      LEU  41  65.448   2.654   0.659
  310   1HD2  LEU  41          HD23      LEU  41  62.249   3.227  -1.283
  311   2HD2  LEU  41          HD22      LEU  41  62.408   4.964  -1.022
  312   3HD2  LEU  41          HD21      LEU  41  63.671   4.083  -1.879
  313    H    GLY  42           HN       GLY  42  59.491   3.467   2.167
  314   1HA   GLY  42           HA2      GLY  42  59.724   1.860   4.530
  315   2HA   GLY  42           HA1      GLY  42  58.278   2.745   4.042
  316    H    LYS  43           HN       LYS  43  56.908   1.684   2.346
  317    HA   LYS  43           HA       LYS  43  56.075  -0.895   3.011
  318   1HB   LYS  43           HB2      LYS  43  54.851  -0.795   0.943
  319   2HB   LYS  43           HB1      LYS  43  55.008   0.869   1.507
  320   1HG   LYS  43           HG2      LYS  43  57.190   0.884   0.063
  321   2HG   LYS  43           HG1      LYS  43  56.459  -0.507  -0.740
  322   1HD   LYS  43           HD2      LYS  43  54.950   2.079  -0.337
  323   2HD   LYS  43           HD1      LYS  43  55.955   1.796  -1.758
  324   1HE   LYS  43           HE2      LYS  43  54.211   0.695  -2.698
  325   2HE   LYS  43           HE1      LYS  43  54.353  -0.532  -1.424
  326   1HZ   LYS  43           HZ2      LYS  43  53.044   0.882   0.039
  327   2HZ   LYS  43           HZ1      LYS  43  52.886   2.044  -1.192
  328   3HZ   LYS  43           HZ3      LYS  43  52.169   0.517  -1.372
  329    H    VAL  44           HN       VAL  44  58.740   0.061   0.906
  330    HA   VAL  44           HA       VAL  44  59.151  -2.540  -0.301
  331    HB   VAL  44           HB       VAL  44  60.717   0.017   0.046
  332   1HG1  VAL  44          HG11      VAL  44  61.753  -2.647  -0.587
  333   2HG1  VAL  44          HG13      VAL  44  62.082  -1.470  -1.859
  334   3HG1  VAL  44          HG12      VAL  44  62.630  -1.164  -0.210
  335   1HG2  VAL  44          HG22      VAL  44  59.496  -1.468  -2.300
  336   2HG2  VAL  44          HG21      VAL  44  58.941   0.055  -1.606
  337   3HG2  VAL  44          HG23      VAL  44  60.482  -0.015  -2.463
  338    H    MET  45           HN       MET  45  60.271  -0.956   2.653
  339    HA   MET  45           HA       MET  45  62.291  -2.987   3.257
  340   1HB   MET  45           HB2      MET  45  61.007  -0.657   4.694
  341   2HB   MET  45           HB1      MET  45  62.181  -1.702   5.495
  342   1HG   MET  45           HG2      MET  45  62.770  -0.424   2.823
  343   2HG   MET  45           HG1      MET  45  63.095   0.415   4.340
  344   1HE   MET  45           HE3      MET  45  64.860   0.674   5.046
  345   2HE   MET  45           HE2      MET  45  65.975  -0.518   5.707
  346   3HE   MET  45           HE1      MET  45  66.270   0.162   4.109
  347    H    ARG  46           HN       ARG  46  59.163  -2.071   4.765
  348    HA   ARG  46           HA       ARG  46  58.999  -4.273   6.564
  349   1HB   ARG  46           HB2      ARG  46  56.679  -3.589   6.742
  350   2HB   ARG  46           HB1      ARG  46  57.646  -2.134   6.501
  351   1HG   ARG  46           HG2      ARG  46  57.084  -2.068   4.150
  352   2HG   ARG  46           HG1      ARG  46  56.278  -3.635   4.253
  353   1HD   ARG  46           HD2      ARG  46  54.709  -1.625   4.298
  354   2HD   ARG  46           HD1      ARG  46  54.543  -2.715   5.688
  355    HE   ARG  46           HE       ARG  46  56.142  -0.183   5.758
  356   1HH1  ARG  46          HH21      ARG  46  57.069  -0.499   8.040
  357   2HH1  ARG  46          HH22      ARG  46  55.849  -0.741   9.247
  358   1HH2  ARG  46          HH11      ARG  46  53.344  -1.438   6.952
  359   2HH2  ARG  46          HH12      ARG  46  53.740  -1.273   8.630
  360    H    MET  47           HN       MET  47  58.483  -4.081   3.129
  361    HA   MET  47           HA       MET  47  56.715  -6.300   2.753
  362   1HB   MET  47           HB2      MET  47  58.404  -4.496   1.232
  363   2HB   MET  47           HB1      MET  47  58.495  -6.129   0.573
  364   1HG   MET  47           HG2      MET  47  56.165  -6.230   0.187
  365   2HG   MET  47           HG1      MET  47  55.843  -4.869   1.262
  366   1HE   MET  47           HE3      MET  47  56.816  -6.359  -1.752
  367   2HE   MET  47           HE2      MET  47  56.479  -5.180  -3.018
  368   3HE   MET  47           HE1      MET  47  58.110  -5.321  -2.365
  369    H    LEU  48           HN       LEU  48  60.264  -6.097   2.995
  370    HA   LEU  48           HA       LEU  48  60.555  -9.006   2.573
  371   1HB   LEU  48           HB2      LEU  48  62.205  -6.568   2.631
  372   2HB   LEU  48           HB1      LEU  48  62.998  -7.974   3.342
  373    HG   LEU  48           HG       LEU  48  61.700  -8.881   0.990
  374   1HD1  LEU  48          HD11      LEU  48  61.994  -6.212   0.643
  375   2HD1  LEU  48          HD13      LEU  48  63.588  -6.758   0.121
  376   3HD1  LEU  48          HD12      LEU  48  62.141  -7.372  -0.678
  377   1HD2  LEU  48          HD23      LEU  48  64.156  -9.101   2.291
  378   2HD2  LEU  48          HD22      LEU  48  63.705  -9.910   0.790
  379   3HD2  LEU  48          HD21      LEU  48  64.567  -8.373   0.738
  380    H    GLY  49           HN       GLY  49  60.472  -6.698   5.222
  381   1HA   GLY  49           HA2      GLY  49  59.753  -7.948   7.379
  382   2HA   GLY  49           HA1      GLY  49  61.233  -8.875   7.122
  383    H    GLN  50           HN       GLN  50  60.574  -5.378   6.791
  384    HA   GLN  50           HA       GLN  50  62.765  -4.904   8.789
  385   1HB   GLN  50           HB2      GLN  50  62.221  -3.936   6.047
  386   2HB   GLN  50           HB1      GLN  50  62.711  -2.682   7.187
  387   1HG   GLN  50           HG2      GLN  50  64.734  -3.534   6.233
  388   2HG   GLN  50           HG1      GLN  50  64.632  -4.217   7.856
  389   1HE2  GLN  50          HE22      GLN  50  63.574  -6.782   4.815
  390   2HE2  GLN  50          HE21      GLN  50  63.024  -5.176   4.769
  391    H    ASN  51           HN       ASN  51  62.227  -3.532  10.467
  392    HA   ASN  51           HA       ASN  51  59.705  -1.929  10.215
  393   1HB   ASN  51           HB2      ASN  51  60.673  -3.780  12.406
  394   2HB   ASN  51           HB1      ASN  51  59.390  -2.598  12.669
  395   1HD2  ASN  51          HD22      ASN  51  57.044  -4.321  10.543
  396   2HD2  ASN  51          HD21      ASN  51  57.478  -2.771  11.085
  397    HA   PRO  52           HA       PRO  52  63.448   0.338  12.017
  398   1HB   PRO  52           HB2      PRO  52  64.044   1.927   9.871
  399   2HB   PRO  52           HB1      PRO  52  64.778   0.330  10.122
  400   1HG   PRO  52           HG2      PRO  52  62.559   1.130   8.311
  401   2HG   PRO  52           HG1      PRO  52  63.865  -0.037   8.052
  402   1HD   PRO  52           HD2      PRO  52  61.299  -0.735   8.705
  403   2HD   PRO  52           HD1      PRO  52  62.723  -1.733   9.073
  404    H    THR  53           HN       THR  53  63.464   2.754  12.405
  405    HA   THR  53           HA       THR  53  60.705   3.776  12.548
  406    HB   THR  53           HB       THR  53  61.950   5.623  13.801
  407    HG1  THR  53           HG1      THR  53  64.103   5.281  14.175
  408   1HG2  THR  53          HG21      THR  53  60.979   3.446  14.779
  409   2HG2  THR  53          HG23      THR  53  62.644   2.868  14.818
  410   3HG2  THR  53          HG22      THR  53  62.184   4.295  15.747
  411    HA   PRO  54           HA       PRO  54  61.040   6.344   8.993
  412   1HB   PRO  54           HB2      PRO  54  59.212   8.270   9.658
  413   2HB   PRO  54           HB1      PRO  54  58.750   6.631   9.158
  414   1HG   PRO  54           HG2      PRO  54  58.884   7.810  11.884
  415   2HG   PRO  54           HG1      PRO  54  57.719   6.664  11.204
  416   1HD   PRO  54           HD2      PRO  54  59.774   5.948  12.864
  417   2HD   PRO  54           HD1      PRO  54  59.028   4.855  11.677
  418    H    GLU  55           HN       GLU  55  61.282   7.827  12.209
  419    HA   GLU  55           HA       GLU  55  62.307  10.377  11.400
  420   1HB   GLU  55           HB2      GLU  55  61.889   8.786  13.793
  421   2HB   GLU  55           HB1      GLU  55  63.414   9.668  13.893
  422   1HG   GLU  55           HG2      GLU  55  61.321  11.344  12.781
  423   2HG   GLU  55           HG1      GLU  55  60.851  10.709  14.358
  424    H    GLU  56           HN       GLU  56  63.902   7.267  12.061
  425    HA   GLU  56           HA       GLU  56  66.605   8.332  11.845
  426   1HB   GLU  56           HB2      GLU  56  65.202   5.774  12.267
  427   2HB   GLU  56           HB1      GLU  56  66.732   5.613  11.405
  428   1HG   GLU  56           HG2      GLU  56  67.320   5.467  13.700
  429   2HG   GLU  56           HG1      GLU  56  67.726   7.121  13.238
  430    H    LEU  57           HN       LEU  57  64.179   7.351   9.579
  431    HA   LEU  57           HA       LEU  57  65.896   6.523   7.408
  432   1HB   LEU  57           HB2      LEU  57  63.117   6.876   8.020
  433   2HB   LEU  57           HB1      LEU  57  63.452   7.677   6.485
  434    HG   LEU  57           HG       LEU  57  64.494   5.633   5.618
  435   1HD1  LEU  57          HD11      LEU  57  64.528   4.959   8.420
  436   2HD1  LEU  57          HD13      LEU  57  63.677   3.701   7.523
  437   3HD1  LEU  57          HD12      LEU  57  65.327   4.139   7.079
  438   1HD2  LEU  57          HD23      LEU  57  61.710   5.607   6.706
  439   2HD2  LEU  57          HD22      LEU  57  62.259   5.546   5.032
  440   3HD2  LEU  57          HD21      LEU  57  62.342   4.100   6.040
  441    H    GLN  58           HN       GLN  58  63.822   9.425   7.356
  442    HA   GLN  58           HA       GLN  58  65.105  10.905   5.412
  443   1HB   GLN  58           HB2      GLN  58  63.674  11.560   7.964
  444   2HB   GLN  58           HB1      GLN  58  64.394  12.879   7.042
  445   1HG   GLN  58           HG2      GLN  58  62.807  10.893   5.497
  446   2HG   GLN  58           HG1      GLN  58  61.902  11.971   6.560
  447   1HE2  GLN  58          HE22      GLN  58  62.529  13.561   3.148
  448   2HE2  GLN  58          HE21      GLN  58  61.954  12.023   3.578
  449    H    GLU  59           HN       GLU  59  65.915  11.043   8.906
  450    HA   GLU  59           HA       GLU  59  68.056  12.820   8.876
  451   1HB   GLU  59           HB2      GLU  59  67.212  11.853  10.911
  452   2HB   GLU  59           HB1      GLU  59  67.609  10.222  10.369
  453   1HG   GLU  59           HG2      GLU  59  69.927  10.563  10.637
  454   2HG   GLU  59           HG1      GLU  59  69.755  12.320  10.659
  455    H    MET  60           HN       MET  60  67.990   9.495   7.698
  456    HA   MET  60           HA       MET  60  70.918   9.469   7.245
  457   1HB   MET  60           HB2      MET  60  68.878   7.601   7.773
  458   2HB   MET  60           HB1      MET  60  69.385   7.276   6.115
  459   1HG   MET  60           HG2      MET  60  71.425   6.513   6.762
  460   2HG   MET  60           HG1      MET  60  71.614   7.779   7.974
  461   1HE   MET  60           HE2      MET  60  70.861   4.452   6.967
  462   2HE   MET  60           HE1      MET  60  70.299   3.527   8.356
  463   3HE   MET  60           HE3      MET  60  69.159   4.502   7.420
  464    H    ILE  61           HN       ILE  61  67.898   9.328   5.332
  465    HA   ILE  61           HA       ILE  61  68.964   9.131   2.741
  466    HB   ILE  61           HB       ILE  61  66.607  10.705   3.826
  467   1HG1  ILE  61          HG12      ILE  61  66.482   8.052   2.417
  468   2HG1  ILE  61          HG11      ILE  61  66.919   8.106   4.126
  469   1HG2  ILE  61          HG21      ILE  61  67.296  11.404   1.521
  470   2HG2  ILE  61          HG23      ILE  61  67.110   9.729   0.998
  471   3HG2  ILE  61          HG22      ILE  61  65.708  10.638   1.563
  472   1HD1  ILE  61          HD12      ILE  61  64.508   9.618   3.158
  473   2HD1  ILE  61          HD11      ILE  61  64.392   7.884   3.457
  474   3HD1  ILE  61          HD13      ILE  61  64.846   8.975   4.765
  475    H    ASP  62           HN       ASP  62  68.895  11.897   4.917
  476    HA   ASP  62           HA       ASP  62  69.334  14.041   3.140
  477   1HB   ASP  62           HB2      ASP  62  68.980  13.987   5.673
  478   2HB   ASP  62           HB1      ASP  62  70.701  13.631   5.811
  479    H    GLU  63           HN       GLU  63  71.852  12.109   4.821
  480    HA   GLU  63           HA       GLU  63  73.967  13.223   3.119
  481   1HB   GLU  63           HB2      GLU  63  75.395  11.947   4.573
  482   2HB   GLU  63           HB1      GLU  63  74.093  12.575   5.583
  483   1HG   GLU  63           HG2      GLU  63  72.925  10.458   5.510
  484   2HG   GLU  63           HG1      GLU  63  74.064   9.820   4.323
  485    H    VAL  64           HN       VAL  64  71.792  10.550   2.943
  486    HA   VAL  64           HA       VAL  64  73.554   8.881   1.270
  487    HB   VAL  64           HB       VAL  64  70.602   8.697   1.956
  488   1HG1  VAL  64          HG11      VAL  64  71.562   7.373  -0.042
  489   2HG1  VAL  64          HG13      VAL  64  72.462   6.454   1.164
  490   3HG1  VAL  64          HG12      VAL  64  70.699   6.455   1.192
  491   1HG2  VAL  64          HG21      VAL  64  72.830   8.496   3.649
  492   2HG2  VAL  64          HG23      VAL  64  71.200   7.913   3.988
  493   3HG2  VAL  64          HG22      VAL  64  72.395   6.828   3.280
  494    H    ASP  65           HN       ASP  65  70.496  10.698   0.812
  495    HA   ASP  65           HA       ASP  65  70.504  10.304  -2.078
  496   1HB   ASP  65           HB2      ASP  65  68.852  11.479   0.040
  497   2HB   ASP  65           HB1      ASP  65  68.804  12.413  -1.454
  498    H    GLU  66           HN       GLU  66  72.786  11.180  -2.373
  499    HA   GLU  66           HA       GLU  66  73.295  14.012  -1.930
  500   1HB   GLU  66           HB2      GLU  66  74.766  11.741  -2.375
  501   2HB   GLU  66           HB1      GLU  66  74.858  12.526  -3.952
  502   1HG   GLU  66           HG2      GLU  66  76.370  13.982  -3.151
  503   2HG   GLU  66           HG1      GLU  66  75.212  14.527  -1.937
  504    H    ASP  67           HN       ASP  67  72.770  12.052  -4.893
  505    HA   ASP  67           HA       ASP  67  72.033  14.585  -6.320
  506   1HB   ASP  67           HB2      ASP  67  73.598  12.173  -6.930
  507   2HB   ASP  67           HB1      ASP  67  72.462  12.604  -8.206
  508    H    GLY  68           HN       GLY  68  70.470  12.287  -4.699
  509   1HA   GLY  68           HA2      GLY  68  68.455  11.689  -6.808
  510   2HA   GLY  68           HA1      GLY  68  68.572  10.867  -5.251
  511    H    SER  69           HN       SER  69  68.815  13.223  -3.630
  512    HA   SER  69           HA       SER  69  67.404  14.748  -2.505
  513   1HB   SER  69           HB2      SER  69  67.774  15.995  -4.566
  514   2HB   SER  69           HB1      SER  69  66.527  15.064  -5.392
  515    HG   SER  69           HG       SER  69  65.939  17.208  -4.493
  516    H    GLY  70           HN       GLY  70  66.470  12.329  -1.957
  517   1HA   GLY  70           HA2      GLY  70  64.342  11.639  -1.029
  518   2HA   GLY  70           HA1      GLY  70  63.527  12.618  -2.249
  519    H    THR  71           HN       THR  71  66.073  10.892  -3.635
  520    HA   THR  71           HA       THR  71  64.273   8.607  -4.358
  521    HB   THR  71           HB       THR  71  64.794   8.970  -6.683
  522    HG1  THR  71           HG1      THR  71  66.492  10.063  -7.284
  523   1HG2  THR  71          HG23      THR  71  63.116  10.513  -5.536
  524   2HG2  THR  71          HG22      THR  71  64.388  11.735  -5.531
  525   3HG2  THR  71          HG21      THR  71  63.783  11.098  -7.061
  526    H    VAL  72           HN       VAL  72  65.327   6.675  -4.149
  527    HA   VAL  72           HA       VAL  72  68.316   6.713  -3.973
  528    HB   VAL  72           HB       VAL  72  67.745   4.435  -2.788
  529   1HG1  VAL  72          HG12      VAL  72  67.320   7.216  -1.720
  530   2HG1  VAL  72          HG11      VAL  72  67.220   5.803  -0.666
  531   3HG1  VAL  72          HG13      VAL  72  68.722   6.161  -1.519
  532   1HG2  VAL  72          HG22      VAL  72  65.264   4.790  -3.555
  533   2HG2  VAL  72          HG21      VAL  72  65.579   4.176  -1.933
  534   3HG2  VAL  72          HG23      VAL  72  65.179   5.877  -2.170
  535    H    ASP  73           HN       ASP  73  69.466   4.954  -4.957
  536    HA   ASP  73           HA       ASP  73  67.981   3.642  -7.208
  537   1HB   ASP  73           HB2      ASP  73  70.176   5.330  -7.195
  538   2HB   ASP  73           HB1      ASP  73  70.925   3.734  -7.270
  539    H    PHE  74           HN       PHE  74  69.603   1.587  -7.843
  540    HA   PHE  74           HA       PHE  74  69.209  -0.325  -5.730
  541   1HB   PHE  74           HB2      PHE  74  69.709  -0.321  -8.446
  542   2HB   PHE  74           HB1      PHE  74  71.227  -0.936  -7.792
  543    HD1  PHE  74           HD1      PHE  74  70.450  -2.429  -5.437
  544    HD2  PHE  74           HD2      PHE  74  68.470  -2.145  -9.239
  545    HE1  PHE  74           HE1      PHE  74  69.392  -4.638  -5.051
  546    HE2  PHE  74           HE2      PHE  74  67.411  -4.354  -8.852
  547    HZ   PHE  74           HZ       PHE  74  67.872  -5.600  -6.758
  548    H    ASP  75           HN       ASP  75  71.683   1.981  -6.309
  549    HA   ASP  75           HA       ASP  75  73.793   0.490  -4.884
  550   1HB   ASP  75           HB2      ASP  75  73.453   3.004  -6.430
  551   2HB   ASP  75           HB1      ASP  75  74.702   3.035  -5.185
  552    H    GLU  76           HN       GLU  76  71.582   3.217  -4.281
  553    HA   GLU  76           HA       GLU  76  72.699   3.666  -1.586
  554   1HB   GLU  76           HB2      GLU  76  70.227   4.850  -2.877
  555   2HB   GLU  76           HB1      GLU  76  71.226   5.560  -1.606
  556   1HG   GLU  76           HG2      GLU  76  73.098   5.168  -3.542
  557   2HG   GLU  76           HG1      GLU  76  71.672   5.480  -4.532
  558    H    PHE  77           HN       PHE  77  69.546   2.662  -2.977
  559    HA   PHE  77           HA       PHE  77  68.190   2.156  -0.542
  560   1HB   PHE  77           HB2      PHE  77  67.025   2.223  -2.633
  561   2HB   PHE  77           HB1      PHE  77  68.048   0.960  -3.319
  562    HD1  PHE  77           HD1      PHE  77  66.462   1.115   0.057
  563    HD2  PHE  77           HD2      PHE  77  66.561  -0.818  -3.777
  564    HE1  PHE  77           HE1      PHE  77  64.894  -0.617   0.890
  565    HE2  PHE  77           HE2      PHE  77  64.992  -2.549  -2.944
  566    HZ   PHE  77           HZ       PHE  77  64.160  -2.450  -0.610
  567    H    LEU  78           HN       LEU  78  70.847   0.455  -1.938
  568    HA   LEU  78           HA       LEU  78  70.220  -2.066  -0.510
  569   1HB   LEU  78           HB2      LEU  78  71.058  -2.505  -2.633
  570   2HB   LEU  78           HB1      LEU  78  72.097  -1.082  -2.627
  571    HG   LEU  78           HG       LEU  78  73.606  -2.162  -1.035
  572   1HD1  LEU  78          HD12      LEU  78  71.353  -4.060  -0.879
  573   2HD1  LEU  78          HD11      LEU  78  72.940  -4.824  -0.964
  574   3HD1  LEU  78          HD13      LEU  78  72.583  -3.675   0.324
  575   1HD2  LEU  78          HD21      LEU  78  72.877  -3.726  -3.518
  576   2HD2  LEU  78          HD23      LEU  78  74.194  -2.572  -3.308
  577   3HD2  LEU  78          HD22      LEU  78  74.272  -4.152  -2.526
  578    H    VAL  79           HN       VAL  79  72.512   0.647  -0.427
  579    HA   VAL  79           HA       VAL  79  74.202  -0.489   1.648
  580    HB   VAL  79           HB       VAL  79  73.765   2.370   0.721
  581   1HG1  VAL  79          HG12      VAL  79  76.094   1.039   2.142
  582   2HG1  VAL  79          HG11      VAL  79  76.071   2.704   1.560
  583   3HG1  VAL  79          HG13      VAL  79  74.982   2.206   2.856
  584   1HG2  VAL  79          HG21      VAL  79  74.490   0.361  -0.898
  585   2HG2  VAL  79          HG23      VAL  79  75.206   1.967  -1.033
  586   3HG2  VAL  79          HG22      VAL  79  76.064   0.689  -0.173
  587    H    MET  80           HN       MET  80  71.347   1.599   1.593
  588    HA   MET  80           HA       MET  80  71.456   2.479   4.324
  589   1HB   MET  80           HB2      MET  80  69.526   2.337   2.072
  590   2HB   MET  80           HB1      MET  80  68.816   2.496   3.679
  591   1HG   MET  80           HG2      MET  80  70.788   4.335   3.877
  592   2HG   MET  80           HG1      MET  80  70.473   4.425   2.144
  593   1HE   MET  80           HE1      MET  80  68.553   4.498   1.109
  594   2HE   MET  80           HE3      MET  80  66.920   4.815   1.710
  595   3HE   MET  80           HE2      MET  80  68.001   6.155   1.337
  596    H    MET  81           HN       MET  81  70.216  -0.461   2.798
  597    HA   MET  81           HA       MET  81  68.809  -1.388   5.190
  598   1HB   MET  81           HB2      MET  81  69.127  -2.061   2.404
  599   2HB   MET  81           HB1      MET  81  69.369  -3.505   3.387
  600   1HG   MET  81           HG2      MET  81  67.021  -1.630   3.748
  601   2HG   MET  81           HG1      MET  81  66.962  -3.068   2.729
  602   1HE   MET  81           HE2      MET  81  68.221  -5.017   3.435
  603   2HE   MET  81           HE1      MET  81  68.838  -5.299   5.061
  604   3HE   MET  81           HE3      MET  81  67.282  -5.983   4.571
  605    H    VAL  82           HN       VAL  82  71.994  -1.908   3.721
  606    HA   VAL  82           HA       VAL  82  72.793  -4.154   5.318
  607    HB   VAL  82           HB       VAL  82  73.775  -3.106   3.164
  608   1HG1  VAL  82          HG13      VAL  82  74.179  -0.954   4.905
  609   2HG1  VAL  82          HG12      VAL  82  75.782  -1.658   4.700
  610   3HG1  VAL  82          HG11      VAL  82  74.862  -1.133   3.290
  611   1HG2  VAL  82          HG21      VAL  82  74.791  -4.860   4.964
  612   2HG2  VAL  82          HG23      VAL  82  75.650  -4.376   3.503
  613   3HG2  VAL  82          HG22      VAL  82  76.021  -3.599   5.042
  614    H    ARG  83           HN       ARG  83  72.357  -0.833   6.113
  615    HA   ARG  83           HA       ARG  83  74.198  -0.977   8.448
  616   1HB   ARG  83           HB2      ARG  83  73.226   1.012   6.629
  617   2HB   ARG  83           HB1      ARG  83  72.737   1.473   8.260
  618   1HG   ARG  83           HG2      ARG  83  75.147   0.984   8.967
  619   2HG   ARG  83           HG1      ARG  83  75.531   0.923   7.246
  620   1HD   ARG  83           HD2      ARG  83  75.962   3.188   7.954
  621   2HD   ARG  83           HD1      ARG  83  74.425   3.239   7.068
  622    HE   ARG  83           HE       ARG  83  73.494   3.959   9.111
  623   1HH1  ARG  83          HH21      ARG  83  76.546   2.930   9.939
  624   2HH1  ARG  83          HH22      ARG  83  76.128   2.332  11.510
  625   1HH2  ARG  83          HH11      ARG  83  72.712   2.649  11.012
  626   2HH2  ARG  83          HH12      ARG  83  73.957   2.172  12.117
  627    H    CYS  84           HN       CYS  84  70.849  -1.302   7.647
  628    HA   CYS  84           HA       CYS  84  70.135  -1.120  10.559
  629   1HB   CYS  84           HB2      CYS  84  68.622  -0.433   8.026
  630   2HB   CYS  84           HB1      CYS  84  67.842  -0.539   9.605
  631    HG   CYS  84           HG       CYS  84  68.687   1.957   9.104
  632    H    MET  85           HN       MET  85  71.115  -3.516   9.192
  633    HA   MET  85           HA       MET  85  68.910  -5.226   8.424
  634   1HB   MET  85           HB2      MET  85  71.799  -5.577   9.225
  635   2HB   MET  85           HB1      MET  85  70.779  -6.976   8.887
  636   1HG   MET  85           HG2      MET  85  70.248  -5.252   6.769
  637   2HG   MET  85           HG1      MET  85  71.983  -5.072   7.028
  638   1HE   MET  85           HE3      MET  85  73.250  -6.059   5.488
  639   2HE   MET  85           HE2      MET  85  73.759  -7.078   6.831
  640   3HE   MET  85           HE1      MET  85  73.467  -7.798   5.250
  641    H    LYS  86           HN       LYS  86  69.918  -4.038  11.449
  642    HA   LYS  86           HA       LYS  86  68.205  -6.048  12.831
  643   1HB   LYS  86           HB2      LYS  86  70.003  -6.326  14.537
  644   2HB   LYS  86           HB1      LYS  86  70.520  -6.862  12.937
  645   1HG   LYS  86           HG2      LYS  86  71.053  -4.042  13.241
  646   2HG   LYS  86           HG1      LYS  86  71.777  -4.936  14.579
  647   1HD   LYS  86           HD2      LYS  86  72.089  -6.061  11.829
  648   2HD   LYS  86           HD1      LYS  86  73.055  -4.648  12.254
  649   1HE   LYS  86           HE2      LYS  86  74.145  -5.784  14.034
  650   2HE   LYS  86           HE1      LYS  86  72.930  -7.078  14.056
  651   1HZ   LYS  86           HZ3      LYS  86  73.589  -7.517  11.686
  652   2HZ   LYS  86           HZ2      LYS  86  74.922  -6.494  11.936
  653   3HZ   LYS  86           HZ1      LYS  86  74.761  -7.921  12.845
  654    H    ASP  87           HN       ASP  87  67.312  -5.226  14.814
  655    HA   ASP  87           HA       ASP  87  68.040  -2.541  15.764
  656   1HB   ASP  87           HB2      ASP  87  66.246  -2.820  13.644
  657   2HB   ASP  87           HB1      ASP  87  65.205  -2.607  15.052
  658    H    ASP  88           HN       ASP  88  65.022  -4.470  15.781
  659    HA   ASP  88           HA       ASP  88  65.439  -5.159  18.633
  660   1HB   ASP  88           HB2      ASP  88  63.476  -3.967  19.360
  661   2HB   ASP  88           HB1      ASP  88  64.427  -2.828  18.405
  662    H    SER  89           HN       SER  89  64.040  -6.892  19.300
  663    HA   SER  89           HA       SER  89  63.198  -8.697  17.214
  664   1HB   SER  89           HB2      SER  89  63.823  -8.809  19.888
  665   2HB   SER  89           HB1      SER  89  62.075  -9.026  19.924
  666    HG   SER  89           HG       SER  89  63.818 -10.851  19.416
   
  No H/Q in entry =         666
  Start of MODEL    4
    1   1H    MET   1           HT2      MET   1  83.829   9.607  -1.932
    2   2H    MET   1           HT1      MET   1  82.966  10.765  -1.037
    3   3H    MET   1           HT3      MET   1  83.918  11.251  -2.354
    4    HA   MET   1           HA       MET   1  85.933  10.750  -1.220
    5   1HB   MET   1           HB2      MET   1  83.778  12.416  -0.110
    6   2HB   MET   1           HB1      MET   1  85.044  12.040   1.059
    7   1HG   MET   1           HG2      MET   1  85.500  13.209  -1.702
    8   2HG   MET   1           HG1      MET   1  85.570  14.108  -0.186
    9   1HE   MET   1           HE3      MET   1  87.423  14.975  -0.985
   10   2HE   MET   1           HE2      MET   1  88.758  14.583   0.096
   11   3HE   MET   1           HE1      MET   1  88.869  14.172  -1.613
   12    H    ASP   2           HN       ASP   2  86.754   8.916  -0.280
   13    HA   ASP   2           HA       ASP   2  86.867   6.990   1.100
   14   1HB   ASP   2           HB2      ASP   2  87.393   8.976   2.547
   15   2HB   ASP   2           HB1      ASP   2  85.697   9.021   3.029
   16    H    ASP   3           HN       ASP   3  85.231   5.636   0.176
   17    HA   ASP   3           HA       ASP   3  82.459   5.918   1.240
   18   1HB   ASP   3           HB2      ASP   3  83.815   4.778  -1.147
   19   2HB   ASP   3           HB1      ASP   3  82.384   3.912  -0.587
   20    H    ILE   4           HN       ILE   4  81.663   4.440   2.710
   21    HA   ILE   4           HA       ILE   4  83.390   2.070   3.357
   22    HB   ILE   4           HB       ILE   4  82.703   2.395   5.640
   23   1HG1  ILE   4          HG12      ILE   4  80.797   4.513   4.590
   24   2HG1  ILE   4          HG11      ILE   4  80.317   2.896   5.108
   25   1HG2  ILE   4          HG21      ILE   4  84.060   4.355   4.173
   26   2HG2  ILE   4          HG23      ILE   4  82.908   5.258   5.157
   27   3HG2  ILE   4          HG22      ILE   4  84.064   4.172   5.927
   28   1HD1  ILE   4          HD12      ILE   4  81.215   3.350   7.362
   29   2HD1  ILE   4          HD11      ILE   4  81.687   4.970   6.847
   30   3HD1  ILE   4          HD13      ILE   4  79.980   4.531   6.923
   31    H    TYR   5           HN       TYR   5  80.135   3.239   2.708
   32    HA   TYR   5           HA       TYR   5  78.662   0.912   3.495
   33   1HB   TYR   5           HB2      TYR   5  78.222   3.078   1.418
   34   2HB   TYR   5           HB1      TYR   5  76.983   1.912   1.885
   35    HD1  TYR   5           HD1      TYR   5  76.057   1.901   4.177
   36    HD2  TYR   5           HD2      TYR   5  78.897   4.863   2.909
   37    HE1  TYR   5           HE1      TYR   5  75.487   3.292   6.150
   38    HE2  TYR   5           HE2      TYR   5  78.327   6.255   4.881
   39    HH   TYR   5           HH       TYR   5  77.028   5.285   7.498
   40    H    LYS   6           HN       LYS   6  80.749   1.519   0.786
   41    HA   LYS   6           HA       LYS   6  79.680  -0.210  -1.191
   42   1HB   LYS   6           HB2      LYS   6  81.896  -0.097  -2.109
   43   2HB   LYS   6           HB1      LYS   6  81.641   1.433  -1.268
   44   1HG   LYS   6           HG2      LYS   6  82.791   0.479   0.733
   45   2HG   LYS   6           HG1      LYS   6  83.134  -0.980  -0.198
   46   1HD   LYS   6           HD2      LYS   6  84.172   0.673  -1.935
   47   2HD   LYS   6           HD1      LYS   6  84.221   1.799  -0.579
   48   1HE   LYS   6           HE2      LYS   6  85.522   0.163   0.745
   49   2HE   LYS   6           HE1      LYS   6  85.483  -0.967  -0.623
   50   1HZ   LYS   6           HZ3      LYS   6  86.515   0.724  -2.008
   51   2HZ   LYS   6           HZ2      LYS   6  86.567   1.801  -0.695
   52   3HZ   LYS   6           HZ1      LYS   6  87.499   0.380  -0.670
   53    H    ALA   7           HN       ALA   7  81.537  -0.922   1.733
   54    HA   ALA   7           HA       ALA   7  82.210  -3.648   1.131
   55   1HB   ALA   7           HB2      ALA   7  82.218  -1.763   3.368
   56   2HB   ALA   7           HB1      ALA   7  81.886  -3.414   3.892
   57   3HB   ALA   7           HB3      ALA   7  83.360  -3.054   2.995
   58    H    ALA   8           HN       ALA   8  79.318  -2.122   2.488
   59    HA   ALA   8           HA       ALA   8  77.984  -4.367   3.558
   60   1HB   ALA   8           HB2      ALA   8  77.450  -1.661   2.764
   61   2HB   ALA   8           HB1      ALA   8  76.126  -2.680   2.199
   62   3HB   ALA   8           HB3      ALA   8  76.552  -2.658   3.909
   63    H    VAL   9           HN       VAL   9  78.404  -3.368   0.197
   64    HA   VAL   9           HA       VAL   9  76.457  -5.283  -0.858
   65    HB   VAL   9           HB       VAL   9  78.665  -3.628  -2.128
   66   1HG1  VAL   9          HG13      VAL   9  76.945  -5.682  -3.190
   67   2HG1  VAL   9          HG12      VAL   9  76.525  -4.131  -3.916
   68   3HG1  VAL   9          HG11      VAL   9  78.178  -4.737  -4.025
   69   1HG2  VAL   9          HG23      VAL   9  76.035  -2.993  -1.063
   70   2HG2  VAL   9          HG22      VAL   9  77.279  -1.903  -1.673
   71   3HG2  VAL   9          HG21      VAL   9  76.122  -2.631  -2.787
   72    H    GLU  10           HN       GLU  10  79.994  -5.118  -0.503
   73    HA   GLU  10           HA       GLU  10  80.671  -7.448  -2.003
   74   1HB   GLU  10           HB2      GLU  10  82.003  -6.388   0.507
   75   2HB   GLU  10           HB1      GLU  10  82.773  -7.245  -0.828
   76   1HG   GLU  10           HG2      GLU  10  81.765  -5.254  -2.258
   77   2HG   GLU  10           HG1      GLU  10  81.797  -4.416  -0.705
   78    H    GLN  11           HN       GLN  11  79.342  -7.058   1.226
   79    HA   GLN  11           HA       GLN  11  79.982  -9.743   2.153
   80   1HB   GLN  11           HB2      GLN  11  78.056  -7.565   3.014
   81   2HB   GLN  11           HB1      GLN  11  78.283  -9.062   3.920
   82   1HG   GLN  11           HG2      GLN  11  80.375  -8.467   4.647
   83   2HG   GLN  11           HG1      GLN  11  80.751  -7.582   3.168
   84   1HE2  GLN  11          HE22      GLN  11  80.164  -4.559   4.871
   85   2HE2  GLN  11          HE21      GLN  11  81.185  -5.467   3.863
   86    H    LEU  12           HN       LEU  12  77.276  -8.235   0.452
   87    HA   LEU  12           HA       LEU  12  75.510 -10.555   0.752
   88   1HB   LEU  12           HB2      LEU  12  75.373  -8.182  -1.133
   89   2HB   LEU  12           HB1      LEU  12  74.029  -9.203  -0.621
   90    HG   LEU  12           HG       LEU  12  75.709  -7.617   1.331
   91   1HD1  LEU  12          HD13      LEU  12  74.089  -6.487  -0.593
   92   2HD1  LEU  12          HD12      LEU  12  72.982  -6.672   0.767
   93   3HD1  LEU  12          HD11      LEU  12  74.472  -5.751   0.962
   94   1HD2  LEU  12          HD22      LEU  12  73.048  -9.059   1.454
   95   2HD2  LEU  12          HD21      LEU  12  74.507  -9.416   2.379
   96   3HD2  LEU  12          HD23      LEU  12  73.592  -7.943   2.706
   97    H    THR  13           HN       THR  13  74.873 -11.938  -1.033
   98    HA   THR  13           HA       THR  13  77.028 -12.279  -3.073
   99    HB   THR  13           HB       THR  13  75.966 -14.568  -3.233
  100    HG1  THR  13           HG1      THR  13  73.902 -13.947  -2.509
  101   1HG2  THR  13          HG22      THR  13  77.882 -14.052  -1.711
  102   2HG2  THR  13          HG21      THR  13  76.721 -13.720  -0.424
  103   3HG2  THR  13          HG23      THR  13  76.845 -15.343  -1.102
  104    H    GLU  14           HN       GLU  14  75.662 -13.685  -5.004
  105    HA   GLU  14           HA       GLU  14  74.302 -11.627  -6.492
  106   1HB   GLU  14           HB2      GLU  14  75.610 -13.873  -7.101
  107   2HB   GLU  14           HB1      GLU  14  73.979 -14.543  -7.089
  108   1HG   GLU  14           HG2      GLU  14  73.239 -12.951  -8.749
  109   2HG   GLU  14           HG1      GLU  14  74.763 -12.070  -8.654
  110    H    GLU  15           HN       GLU  15  73.140 -14.513  -4.737
  111    HA   GLU  15           HA       GLU  15  70.374 -14.262  -5.414
  112   1HB   GLU  15           HB2      GLU  15  71.584 -16.227  -4.406
  113   2HB   GLU  15           HB1      GLU  15  71.640 -15.346  -2.879
  114   1HG   GLU  15           HG2      GLU  15  68.967 -15.470  -4.126
  115   2HG   GLU  15           HG1      GLU  15  69.607 -17.028  -3.602
  116    H    GLN  16           HN       GLN  16  72.378 -12.601  -3.062
  117    HA   GLN  16           HA       GLN  16  70.132 -11.550  -1.503
  118   1HB   GLN  16           HB2      GLN  16  73.095 -11.435  -1.576
  119   2HB   GLN  16           HB1      GLN  16  72.301 -10.020  -0.883
  120   1HG   GLN  16           HG2      GLN  16  71.788 -12.890  -0.042
  121   2HG   GLN  16           HG1      GLN  16  72.790 -11.737   0.843
  122   1HE2  GLN  16          HE22      GLN  16  69.801  -9.637   1.527
  123   2HE2  GLN  16          HE21      GLN  16  71.318  -9.406   0.798
  124    H    LYS  17           HN       LYS  17  72.053 -10.521  -4.267
  125    HA   LYS  17           HA       LYS  17  71.050  -7.753  -4.181
  126   1HB   LYS  17           HB2      LYS  17  73.239  -9.141  -5.239
  127   2HB   LYS  17           HB1      LYS  17  72.297  -8.669  -6.653
  128   1HG   LYS  17           HG2      LYS  17  72.180  -6.332  -5.601
  129   2HG   LYS  17           HG1      LYS  17  73.444  -6.884  -4.502
  130   1HD   LYS  17           HD2      LYS  17  73.606  -6.831  -7.531
  131   2HD   LYS  17           HD1      LYS  17  74.459  -5.755  -6.424
  132   1HE   LYS  17           HE2      LYS  17  75.272  -8.118  -5.406
  133   2HE   LYS  17           HE1      LYS  17  75.026  -8.601  -7.096
  134   1HZ   LYS  17           HZ2      LYS  17  76.165  -6.249  -7.462
  135   2HZ   LYS  17           HZ1      LYS  17  76.890  -6.654  -5.979
  136   3HZ   LYS  17           HZ3      LYS  17  77.071  -7.679  -7.317
  137    H    ASN  18           HN       ASN  18  70.700 -10.564  -6.382
  138    HA   ASN  18           HA       ASN  18  68.775  -9.386  -8.130
  139   1HB   ASN  18           HB2      ASN  18  68.489 -11.656  -8.884
  140   2HB   ASN  18           HB1      ASN  18  70.175 -11.504  -8.386
  141   1HD2  ASN  18          HD22      ASN  18  68.503 -14.551  -6.805
  142   2HD2  ASN  18          HD21      ASN  18  68.512 -13.989  -8.407
  143    H    GLU  19           HN       GLU  19  68.481 -10.751  -4.926
  144    HA   GLU  19           HA       GLU  19  65.596 -11.192  -5.043
  145   1HB   GLU  19           HB2      GLU  19  67.258 -12.384  -3.575
  146   2HB   GLU  19           HB1      GLU  19  67.469 -10.881  -2.676
  147   1HG   GLU  19           HG2      GLU  19  64.771 -11.057  -2.635
  148   2HG   GLU  19           HG1      GLU  19  65.180 -12.772  -2.686
  149    H    PHE  20           HN       PHE  20  67.757  -8.592  -3.977
  150    HA   PHE  20           HA       PHE  20  65.630  -7.000  -2.760
  151   1HB   PHE  20           HB2      PHE  20  68.541  -6.902  -3.254
  152   2HB   PHE  20           HB1      PHE  20  67.754  -5.323  -3.250
  153    HD1  PHE  20           HD2      PHE  20  65.614  -5.576  -1.316
  154    HD2  PHE  20           HD1      PHE  20  69.590  -7.200  -1.183
  155    HE1  PHE  20           HE2      PHE  20  65.508  -5.634   1.161
  156    HE2  PHE  20           HE1      PHE  20  69.482  -7.258   1.294
  157    HZ   PHE  20           HZ       PHE  20  67.441  -6.476   2.465
  158    H    LYS  21           HN       LYS  21  67.177  -7.225  -5.923
  159    HA   LYS  21           HA       LYS  21  66.215  -4.741  -7.011
  160   1HB   LYS  21           HB2      LYS  21  68.052  -6.322  -7.833
  161   2HB   LYS  21           HB1      LYS  21  66.759  -7.338  -8.474
  162   1HG   LYS  21           HG2      LYS  21  65.937  -5.065  -9.551
  163   2HG   LYS  21           HG1      LYS  21  67.627  -4.604  -9.344
  164   1HD   LYS  21           HD2      LYS  21  68.128  -6.924 -10.446
  165   2HD   LYS  21           HD1      LYS  21  66.465  -6.814 -11.023
  166   1HE   LYS  21           HE2      LYS  21  66.908  -4.848 -12.281
  167   2HE   LYS  21           HE1      LYS  21  68.424  -4.537 -11.412
  168   1HZ   LYS  21           HZ3      LYS  21  69.144  -6.796 -12.250
  169   2HZ   LYS  21           HZ2      LYS  21  67.828  -6.722 -13.322
  170   3HZ   LYS  21           HZ1      LYS  21  69.065  -5.562 -13.411
  171    H    ALA  22           HN       ALA  22  64.858  -8.028  -6.884
  172    HA   ALA  22           HA       ALA  22  62.577  -7.463  -8.579
  173   1HB   ALA  22           HB2      ALA  22  63.792  -9.636  -7.169
  174   2HB   ALA  22           HB1      ALA  22  62.089  -9.579  -6.714
  175   3HB   ALA  22           HB3      ALA  22  62.544  -9.715  -8.412
  176    H    ALA  23           HN       ALA  23  63.349  -6.324  -5.524
  177    HA   ALA  23           HA       ALA  23  60.452  -6.033  -4.788
  178   1HB   ALA  23           HB3      ALA  23  61.835  -7.485  -3.302
  179   2HB   ALA  23           HB2      ALA  23  62.916  -6.123  -3.017
  180   3HB   ALA  23           HB1      ALA  23  61.244  -6.051  -2.463
  181    H    PHE  24           HN       PHE  24  63.380  -4.431  -5.602
  182    HA   PHE  24           HA       PHE  24  62.558  -1.870  -4.337
  183   1HB   PHE  24           HB2      PHE  24  64.860  -2.414  -4.091
  184   2HB   PHE  24           HB1      PHE  24  64.996  -2.934  -5.771
  185    HD1  PHE  24           HD1      PHE  24  65.067  -1.287  -7.603
  186    HD2  PHE  24           HD2      PHE  24  64.927  -0.063  -3.489
  187    HE1  PHE  24           HE1      PHE  24  65.748   1.005  -8.262
  188    HE2  PHE  24           HE2      PHE  24  65.609   2.229  -4.148
  189    HZ   PHE  24           HZ       PHE  24  66.019   2.763  -6.535
  190    H    ASP  25           HN       ASP  25  63.376  -3.139  -7.586
  191    HA   ASP  25           HA       ASP  25  62.760  -0.810  -9.085
  192   1HB   ASP  25           HB2      ASP  25  63.488  -3.513  -9.482
  193   2HB   ASP  25           HB1      ASP  25  62.028  -3.264 -10.439
  194    H    ILE  26           HN       ILE  26  60.659  -3.086  -7.491
  195    HA   ILE  26           HA       ILE  26  58.287  -2.660  -9.080
  196    HB   ILE  26           HB       ILE  26  58.845  -3.595  -6.257
  197   1HG1  ILE  26          HG12      ILE  26  58.277  -4.928  -8.914
  198   2HG1  ILE  26          HG11      ILE  26  59.694  -5.126  -7.882
  199   1HG2  ILE  26          HG21      ILE  26  56.238  -3.620  -7.813
  200   2HG2  ILE  26          HG23      ILE  26  56.509  -4.446  -6.279
  201   3HG2  ILE  26          HG22      ILE  26  56.565  -2.685  -6.354
  202   1HD1  ILE  26          HD11      ILE  26  57.701  -5.835  -6.161
  203   2HD1  ILE  26          HD13      ILE  26  57.034  -6.395  -7.694
  204   3HD1  ILE  26          HD12      ILE  26  58.604  -6.983  -7.148
  205    H    PHE  27           HN       PHE  27  59.979  -0.509  -7.129
  206    HA   PHE  27           HA       PHE  27  57.480   1.027  -6.489
  207   1HB   PHE  27           HB2      PHE  27  60.172   0.782  -5.120
  208   2HB   PHE  27           HB1      PHE  27  58.992   2.021  -4.686
  209    HD1  PHE  27           HD1      PHE  27  59.373  -1.678  -5.102
  210    HD2  PHE  27           HD2      PHE  27  57.238   1.526  -3.196
  211    HE1  PHE  27           HE1      PHE  27  58.161  -3.322  -3.696
  212    HE2  PHE  27           HE2      PHE  27  56.026  -0.118  -1.790
  213    HZ   PHE  27           HZ       PHE  27  56.487  -2.542  -2.039
  214    H    VAL  28           HN       VAL  28  59.483   0.985  -8.904
  215    HA   VAL  28           HA       VAL  28  60.504   3.769  -8.803
  216    HB   VAL  28           HB       VAL  28  60.677   1.547 -10.868
  217   1HG1  VAL  28          HG13      VAL  28  61.616   4.366 -10.799
  218   2HG1  VAL  28          HG12      VAL  28  62.777   3.172 -11.379
  219   3HG1  VAL  28          HG11      VAL  28  61.217   3.347 -12.181
  220   1HG2  VAL  28          HG22      VAL  28  61.796   1.392  -8.481
  221   2HG2  VAL  28          HG21      VAL  28  62.724   0.954  -9.915
  222   3HG2  VAL  28          HG23      VAL  28  62.948   2.537  -9.168
  223    H    LEU  29           HN       LEU  29  57.543   2.942  -9.019
  224    HA   LEU  29           HA       LEU  29  56.345   3.310 -11.480
  225   1HB   LEU  29           HB2      LEU  29  54.556   4.501 -10.130
  226   2HB   LEU  29           HB1      LEU  29  55.095   2.969  -9.442
  227    HG   LEU  29           HG       LEU  29  56.863   4.624  -8.250
  228   1HD1  LEU  29          HD11      LEU  29  55.366   6.475  -9.516
  229   2HD1  LEU  29          HD13      LEU  29  54.427   6.317  -8.032
  230   3HD1  LEU  29          HD12      LEU  29  56.129   6.778  -7.955
  231   1HD2  LEU  29          HD22      LEU  29  54.655   3.112  -7.499
  232   2HD2  LEU  29          HD21      LEU  29  55.783   3.898  -6.395
  233   3HD2  LEU  29          HD23      LEU  29  54.288   4.713  -6.856
  234    H    GLY  30           HN       GLY  30  57.595   5.926  -9.376
  235   1HA   GLY  30           HA2      GLY  30  57.457   7.733 -11.759
  236   2HA   GLY  30           HA1      GLY  30  57.181   8.304 -10.114
  237    H    ALA  31           HN       ALA  31  59.457   8.241 -12.490
  238    HA   ALA  31           HA       ALA  31  61.562   9.342 -10.972
  239   1HB   ALA  31           HB3      ALA  31  61.272   6.399 -10.879
  240   2HB   ALA  31           HB2      ALA  31  62.905   6.967 -11.223
  241   3HB   ALA  31           HB1      ALA  31  62.085   7.481  -9.749
  242    H    GLU  32           HN       GLU  32  63.828   8.570 -12.219
  243    HA   GLU  32           HA       GLU  32  63.281   8.287 -15.130
  244   1HB   GLU  32           HB2      GLU  32  64.641  10.346 -15.540
  245   2HB   GLU  32           HB1      GLU  32  63.165  10.686 -14.636
  246   1HG   GLU  32           HG2      GLU  32  64.342  11.447 -12.871
  247   2HG   GLU  32           HG1      GLU  32  65.331   9.986 -12.838
  248    H    ASP  33           HN       ASP  33  64.704   6.799 -12.854
  249    HA   ASP  33           HA       ASP  33  67.090   6.072 -14.399
  250   1HB   ASP  33           HB2      ASP  33  67.155   8.111 -12.391
  251   2HB   ASP  33           HB1      ASP  33  68.038   6.715 -11.774
  252    H    GLY  34           HN       GLY  34  64.906   4.492 -13.671
  253   1HA   GLY  34           HA2      GLY  34  64.278   2.575 -12.450
  254   2HA   GLY  34           HA1      GLY  34  65.998   2.196 -12.559
  255    H    CYS  35           HN       CYS  35  64.400   4.849 -10.802
  256    HA   CYS  35           HA       CYS  35  65.567   3.727  -8.271
  257   1HB   CYS  35           HB2      CYS  35  65.825   6.122  -7.627
  258   2HB   CYS  35           HB1      CYS  35  66.709   5.740  -9.105
  259    HG   CYS  35           HG       CYS  35  65.396   7.570 -10.132
  260    H    ILE  36           HN       ILE  36  64.318   4.460  -6.289
  261    HA   ILE  36           HA       ILE  36  61.391   4.680  -6.923
  262    HB   ILE  36           HB       ILE  36  61.041   3.317  -4.953
  263   1HG1  ILE  36          HG12      ILE  36  64.041   3.423  -4.519
  264   2HG1  ILE  36          HG11      ILE  36  62.890   4.427  -3.636
  265   1HG2  ILE  36          HG21      ILE  36  62.594   2.486  -7.188
  266   2HG2  ILE  36          HG23      ILE  36  63.251   1.679  -5.765
  267   3HG2  ILE  36          HG22      ILE  36  61.544   1.497  -6.173
  268   1HD1  ILE  36          HD12      ILE  36  61.700   2.254  -3.000
  269   2HD1  ILE  36          HD11      ILE  36  63.124   1.413  -3.612
  270   3HD1  ILE  36          HD13      ILE  36  63.274   2.523  -2.249
  271    H    SER  37           HN       SER  37  60.156   5.683  -5.002
  272    HA   SER  37           HA       SER  37  61.454   8.231  -4.292
  273   1HB   SER  37           HB2      SER  37  58.935   7.468  -4.988
  274   2HB   SER  37           HB1      SER  37  58.783   7.485  -3.232
  275    HG   SER  37           HG       SER  37  59.741   9.625  -3.342
  276    H    THR  38           HN       THR  38  62.382   8.621  -2.311
  277    HA   THR  38           HA       THR  38  62.998   6.699  -0.392
  278    HB   THR  38           HB       THR  38  63.211   8.732   1.127
  279    HG1  THR  38           HG1      THR  38  62.042  10.367   0.590
  280   1HG2  THR  38          HG23      THR  38  64.304   8.809  -1.693
  281   2HG2  THR  38          HG22      THR  38  64.865   9.875  -0.407
  282   3HG2  THR  38          HG21      THR  38  65.080   8.131  -0.263
  283    H    LYS  39           HN       LYS  39  60.026   8.609  -0.679
  284    HA   LYS  39           HA       LYS  39  58.910   7.900   1.887
  285   1HB   LYS  39           HB2      LYS  39  57.585   8.674  -0.735
  286   2HB   LYS  39           HB1      LYS  39  56.852   8.788   0.866
  287   1HG   LYS  39           HG2      LYS  39  58.984  10.230   1.421
  288   2HG   LYS  39           HG1      LYS  39  59.054  10.442  -0.328
  289   1HD   LYS  39           HD2      LYS  39  57.182  11.743  -0.380
  290   2HD   LYS  39           HD1      LYS  39  56.376  10.807   0.880
  291   1HE   LYS  39           HE2      LYS  39  56.875  12.482   2.325
  292   2HE   LYS  39           HE1      LYS  39  58.586  12.050   2.140
  293   1HZ   LYS  39           HZ3      LYS  39  58.634  13.391   0.101
  294   2HZ   LYS  39           HZ2      LYS  39  57.032  13.876   0.385
  295   3HZ   LYS  39           HZ1      LYS  39  58.263  14.329   1.464
  296    H    GLU  40           HN       GLU  40  59.439   6.076  -0.949
  297    HA   GLU  40           HA       GLU  40  57.181   4.214  -0.418
  298   1HB   GLU  40           HB2      GLU  40  59.265   4.499  -2.603
  299   2HB   GLU  40           HB1      GLU  40  58.055   3.215  -2.577
  300   1HG   GLU  40           HG2      GLU  40  57.483   6.194  -2.612
  301   2HG   GLU  40           HG1      GLU  40  57.273   5.084  -3.967
  302    H    LEU  41           HN       LEU  41  60.730   4.349  -0.376
  303    HA   LEU  41           HA       LEU  41  61.507   1.714  -0.092
  304   1HB   LEU  41           HB2      LEU  41  62.595   4.190   0.328
  305   2HB   LEU  41           HB1      LEU  41  62.573   3.550   1.972
  306    HG   LEU  41           HG       LEU  41  63.890   2.331  -0.465
  307   1HD1  LEU  41          HD13      LEU  41  64.844   4.122   1.383
  308   2HD1  LEU  41          HD12      LEU  41  65.309   2.583   2.109
  309   3HD1  LEU  41          HD11      LEU  41  65.851   2.989   0.481
  310   1HD2  LEU  41          HD22      LEU  41  63.098   1.132   2.178
  311   2HD2  LEU  41          HD21      LEU  41  63.004   0.424   0.566
  312   3HD2  LEU  41          HD23      LEU  41  64.565   0.577   1.373
  313    H    GLY  42           HN       GLY  42  59.840   3.695   2.342
  314   1HA   GLY  42           HA2      GLY  42  60.088   2.083   4.612
  315   2HA   GLY  42           HA1      GLY  42  58.636   3.017   4.246
  316    H    LYS  43           HN       LYS  43  57.472   1.842   2.165
  317    HA   LYS  43           HA       LYS  43  56.340  -0.574   3.205
  318   1HB   LYS  43           HB2      LYS  43  56.398   0.603   0.406
  319   2HB   LYS  43           HB1      LYS  43  55.267  -0.632   0.960
  320   1HG   LYS  43           HG2      LYS  43  54.127   0.842   2.356
  321   2HG   LYS  43           HG1      LYS  43  55.510   1.926   2.510
  322   1HD   LYS  43           HD2      LYS  43  55.227   2.496   0.066
  323   2HD   LYS  43           HD1      LYS  43  53.720   1.578   0.091
  324   1HE   LYS  43           HE2      LYS  43  53.138   3.897   0.478
  325   2HE   LYS  43           HE1      LYS  43  52.995   3.072   2.043
  326   1HZ   LYS  43           HZ1      LYS  43  55.666   3.963   1.440
  327   2HZ   LYS  43           HZ3      LYS  43  54.555   5.238   1.572
  328   3HZ   LYS  43           HZ2      LYS  43  54.756   4.153   2.862
  329    H    VAL  44           HN       VAL  44  59.015   0.035   0.982
  330    HA   VAL  44           HA       VAL  44  59.248  -2.713   0.056
  331    HB   VAL  44           HB       VAL  44  60.866  -0.175  -0.040
  332   1HG1  VAL  44          HG11      VAL  44  61.757  -2.885  -1.076
  333   2HG1  VAL  44          HG13      VAL  44  62.569  -1.350  -1.386
  334   3HG1  VAL  44          HG12      VAL  44  62.505  -1.998   0.253
  335   1HG2  VAL  44          HG23      VAL  44  58.878  -0.724  -1.564
  336   2HG2  VAL  44          HG22      VAL  44  60.380  -0.277  -2.375
  337   3HG2  VAL  44          HG21      VAL  44  59.903  -1.973  -2.274
  338    H    MET  45           HN       MET  45  60.168  -1.053   2.934
  339    HA   MET  45           HA       MET  45  62.436  -2.794   3.593
  340   1HB   MET  45           HB2      MET  45  60.848  -0.599   4.910
  341   2HB   MET  45           HB1      MET  45  62.001  -1.545   5.853
  342   1HG   MET  45           HG2      MET  45  62.941  -0.493   3.228
  343   2HG   MET  45           HG1      MET  45  62.729   0.675   4.532
  344   1HE   MET  45           HE1      MET  45  64.818   1.457   5.103
  345   2HE   MET  45           HE3      MET  45  66.332   0.558   5.272
  346   3HE   MET  45           HE2      MET  45  65.573   0.722   3.691
  347    H    ARG  46           HN       ARG  46  59.014  -2.494   4.554
  348    HA   ARG  46           HA       ARG  46  59.192  -4.735   6.441
  349   1HB   ARG  46           HB2      ARG  46  56.782  -4.261   6.686
  350   2HB   ARG  46           HB1      ARG  46  57.714  -2.764   6.743
  351   1HG   ARG  46           HG2      ARG  46  56.329  -2.021   5.116
  352   2HG   ARG  46           HG1      ARG  46  57.233  -3.086   4.039
  353   1HD   ARG  46           HD2      ARG  46  55.476  -4.514   3.827
  354   2HD   ARG  46           HD1      ARG  46  55.173  -4.510   5.577
  355    HE   ARG  46           HE       ARG  46  54.357  -1.999   4.855
  356   1HH1  ARG  46          HH11      ARG  46  52.818  -4.829   5.141
  357   2HH1  ARG  46          HH12      ARG  46  51.648  -4.591   3.887
  358   1HH2  ARG  46          HH21      ARG  46  53.243  -1.815   2.558
  359   2HH2  ARG  46          HH22      ARG  46  51.888  -2.885   2.425
  360    H    MET  47           HN       MET  47  58.779  -4.395   3.062
  361    HA   MET  47           HA       MET  47  56.995  -6.599   2.536
  362   1HB   MET  47           HB2      MET  47  59.093  -5.067   0.992
  363   2HB   MET  47           HB1      MET  47  58.185  -6.384   0.248
  364   1HG   MET  47           HG2      MET  47  56.535  -4.430   1.725
  365   2HG   MET  47           HG1      MET  47  57.342  -3.785   0.295
  366   1HE   MET  47           HE3      MET  47  57.811  -5.741  -1.511
  367   2HE   MET  47           HE2      MET  47  56.433  -6.368  -2.412
  368   3HE   MET  47           HE1      MET  47  56.693  -4.629  -2.312
  369    H    LEU  48           HN       LEU  48  60.535  -6.338   2.833
  370    HA   LEU  48           HA       LEU  48  60.885  -9.211   2.221
  371   1HB   LEU  48           HB2      LEU  48  62.681  -6.859   2.850
  372   2HB   LEU  48           HB1      LEU  48  63.318  -8.497   2.691
  373    HG   LEU  48           HG       LEU  48  61.587  -8.064   0.481
  374   1HD1  LEU  48          HD12      LEU  48  62.123  -5.602   1.203
  375   2HD1  LEU  48          HD11      LEU  48  63.715  -5.939   0.521
  376   3HD1  LEU  48          HD13      LEU  48  62.278  -6.051  -0.496
  377   1HD2  LEU  48          HD21      LEU  48  64.188  -9.021   1.075
  378   2HD2  LEU  48          HD23      LEU  48  63.309  -9.183  -0.446
  379   3HD2  LEU  48          HD22      LEU  48  64.380  -7.805  -0.189
  380    H    GLY  49           HN       GLY  49  60.530  -7.143   4.990
  381   1HA   GLY  49           HA2      GLY  49  59.929  -8.460   7.081
  382   2HA   GLY  49           HA1      GLY  49  61.390  -9.396   6.762
  383    H    GLN  50           HN       GLN  50  60.807  -5.875   6.620
  384    HA   GLN  50           HA       GLN  50  62.748  -5.515   8.861
  385   1HB   GLN  50           HB2      GLN  50  63.199  -5.115   6.042
  386   2HB   GLN  50           HB1      GLN  50  63.290  -3.560   6.871
  387   1HG   GLN  50           HG2      GLN  50  65.445  -4.223   7.270
  388   2HG   GLN  50           HG1      GLN  50  64.693  -5.091   8.610
  389   1HE2  GLN  50          HE22      GLN  50  66.632  -7.690   6.902
  390   2HE2  GLN  50          HE21      GLN  50  66.900  -6.369   7.934
  391    H    ASN  51           HN       ASN  51  62.259  -3.704  10.127
  392    HA   ASN  51           HA       ASN  51  60.129  -1.855   9.122
  393   1HB   ASN  51           HB2      ASN  51  60.235  -3.615  11.545
  394   2HB   ASN  51           HB1      ASN  51  59.399  -2.068  11.670
  395   1HD2  ASN  51          HD22      ASN  51  57.667  -5.116   9.646
  396   2HD2  ASN  51          HD21      ASN  51  59.157  -5.304  10.437
  397    HA   PRO  52           HA       PRO  52  63.711   0.397  10.998
  398   1HB   PRO  52           HB2      PRO  52  63.966   2.208   8.961
  399   2HB   PRO  52           HB1      PRO  52  64.772   0.627   8.954
  400   1HG   PRO  52           HG2      PRO  52  62.309   1.503   7.538
  401   2HG   PRO  52           HG1      PRO  52  63.599   0.420   6.995
  402   1HD   PRO  52           HD2      PRO  52  61.166  -0.442   7.905
  403   2HD   PRO  52           HD1      PRO  52  62.655  -1.409   7.985
  404    H    THR  53           HN       THR  53  63.740   2.843  11.486
  405    HA   THR  53           HA       THR  53  60.954   3.735  12.036
  406    HB   THR  53           HB       THR  53  62.499   3.626  13.904
  407    HG1  THR  53           HG1      THR  53  62.151   5.623  14.623
  408   1HG2  THR  53          HG21      THR  53  64.351   4.631  11.898
  409   2HG2  THR  53          HG23      THR  53  64.445   5.562  13.393
  410   3HG2  THR  53          HG22      THR  53  64.691   3.817  13.425
  411    HA   PRO  54           HA       PRO  54  61.141   6.859   8.952
  412   1HB   PRO  54           HB2      PRO  54  59.462   8.719  10.056
  413   2HB   PRO  54           HB1      PRO  54  58.886   7.199   9.341
  414   1HG   PRO  54           HG2      PRO  54  59.284   7.914  12.201
  415   2HG   PRO  54           HG1      PRO  54  58.008   6.947  11.445
  416   1HD   PRO  54           HD2      PRO  54  60.128   5.871  12.791
  417   2HD   PRO  54           HD1      PRO  54  59.254   5.030  11.493
  418    H    GLU  55           HN       GLU  55  61.658   7.820  12.333
  419    HA   GLU  55           HA       GLU  55  62.698  10.420  11.974
  420   1HB   GLU  55           HB2      GLU  55  63.541   8.222  13.895
  421   2HB   GLU  55           HB1      GLU  55  63.828   9.947  14.128
  422   1HG   GLU  55           HG2      GLU  55  61.677  10.351  14.749
  423   2HG   GLU  55           HG1      GLU  55  61.023   9.241  13.543
  424    H    GLU  56           HN       GLU  56  64.275   7.262  11.569
  425    HA   GLU  56           HA       GLU  56  66.894   8.500  11.005
  426   1HB   GLU  56           HB2      GLU  56  65.733   5.865  11.578
  427   2HB   GLU  56           HB1      GLU  56  66.987   5.808  10.338
  428   1HG   GLU  56           HG2      GLU  56  68.326   7.334  11.995
  429   2HG   GLU  56           HG1      GLU  56  67.201   6.705  13.199
  430    H    LEU  57           HN       LEU  57  64.225   6.968   9.242
  431    HA   LEU  57           HA       LEU  57  65.257   6.478   6.726
  432   1HB   LEU  57           HB2      LEU  57  62.749   6.994   7.940
  433   2HB   LEU  57           HB1      LEU  57  62.818   8.012   6.501
  434    HG   LEU  57           HG       LEU  57  61.899   5.826   5.908
  435   1HD1  LEU  57          HD12      LEU  57  63.533   7.056   4.376
  436   2HD1  LEU  57          HD11      LEU  57  64.762   5.922   4.935
  437   3HD1  LEU  57          HD13      LEU  57  63.345   5.329   4.069
  438   1HD2  LEU  57          HD22      LEU  57  64.159   4.929   7.583
  439   2HD2  LEU  57          HD21      LEU  57  62.614   4.140   7.263
  440   3HD2  LEU  57          HD23      LEU  57  63.934   3.998   6.103
  441    H    GLN  58           HN       GLN  58  63.840   9.660   7.592
  442    HA   GLN  58           HA       GLN  58  64.884  11.055   5.331
  443   1HB   GLN  58           HB2      GLN  58  63.849  11.764   8.068
  444   2HB   GLN  58           HB1      GLN  58  64.482  13.032   7.017
  445   1HG   GLN  58           HG2      GLN  58  62.749  11.311   5.493
  446   2HG   GLN  58           HG1      GLN  58  61.902  11.861   6.939
  447   1HE2  GLN  58          HE22      GLN  58  62.899  14.559   4.032
  448   2HE2  GLN  58          HE21      GLN  58  63.520  12.981   3.977
  449    H    GLU  59           HN       GLU  59  66.090  10.890   8.705
  450    HA   GLU  59           HA       GLU  59  68.349  12.522   8.521
  451   1HB   GLU  59           HB2      GLU  59  67.255  10.563  10.233
  452   2HB   GLU  59           HB1      GLU  59  68.921  10.060   9.942
  453   1HG   GLU  59           HG2      GLU  59  69.811  12.045  10.821
  454   2HG   GLU  59           HG1      GLU  59  68.299  12.929  10.607
  455    H    MET  60           HN       MET  60  68.191   9.020   7.757
  456    HA   MET  60           HA       MET  60  70.898   8.785   6.844
  457   1HB   MET  60           HB2      MET  60  68.361   7.255   6.180
  458   2HB   MET  60           HB1      MET  60  69.991   6.687   5.818
  459   1HG   MET  60           HG2      MET  60  70.519   6.346   8.059
  460   2HG   MET  60           HG1      MET  60  69.327   7.516   8.624
  461   1HE   MET  60           HE1      MET  60  69.703   4.528   6.387
  462   2HE   MET  60           HE3      MET  60  70.012   3.711   7.926
  463   3HE   MET  60           HE2      MET  60  68.577   3.311   6.985
  464    H    ILE  61           HN       ILE  61  67.870   8.976   4.921
  465    HA   ILE  61           HA       ILE  61  68.966   9.164   2.354
  466    HB   ILE  61           HB       ILE  61  66.579  10.537   3.627
  467   1HG1  ILE  61          HG12      ILE  61  66.657   8.104   1.831
  468   2HG1  ILE  61          HG11      ILE  61  66.793   7.978   3.586
  469   1HG2  ILE  61          HG21      ILE  61  67.355  11.600   1.465
  470   2HG2  ILE  61          HG23      ILE  61  67.082  10.045   0.679
  471   3HG2  ILE  61          HG22      ILE  61  65.729  10.918   1.401
  472   1HD1  ILE  61          HD13      ILE  61  64.559   9.623   2.479
  473   2HD1  ILE  61          HD12      ILE  61  64.421   7.868   2.370
  474   3HD1  ILE  61          HD11      ILE  61  64.611   8.642   3.943
  475    H    ASP  62           HN       ASP  62  68.663  11.704   4.813
  476    HA   ASP  62           HA       ASP  62  69.455  13.897   3.105
  477   1HB   ASP  62           HB2      ASP  62  68.208  14.099   5.236
  478   2HB   ASP  62           HB1      ASP  62  69.615  13.494   6.111
  479    H    GLU  63           HN       GLU  63  71.189  11.279   4.450
  480    HA   GLU  63           HA       GLU  63  73.782  12.770   4.258
  481   1HB   GLU  63           HB2      GLU  63  72.965  10.217   5.683
  482   2HB   GLU  63           HB1      GLU  63  74.595  10.891   5.700
  483   1HG   GLU  63           HG2      GLU  63  73.433  13.068   6.536
  484   2HG   GLU  63           HG1      GLU  63  72.084  12.004   6.934
  485    H    VAL  64           HN       VAL  64  72.114   9.758   3.337
  486    HA   VAL  64           HA       VAL  64  74.371   8.918   1.626
  487    HB   VAL  64           HB       VAL  64  72.836   7.469   3.107
  488   1HG1  VAL  64          HG13      VAL  64  70.724   8.534   2.298
  489   2HG1  VAL  64          HG12      VAL  64  71.005   7.811   0.714
  490   3HG1  VAL  64          HG11      VAL  64  70.719   6.780   2.117
  491   1HG2  VAL  64          HG21      VAL  64  73.580   6.955   0.247
  492   2HG2  VAL  64          HG23      VAL  64  74.221   6.219   1.716
  493   3HG2  VAL  64          HG22      VAL  64  72.636   5.741   1.110
  494    H    ASP  65           HN       ASP  65  71.028  10.080   1.268
  495    HA   ASP  65           HA       ASP  65  71.176   9.986  -1.674
  496   1HB   ASP  65           HB2      ASP  65  69.183   9.636   0.055
  497   2HB   ASP  65           HB1      ASP  65  69.034  11.386  -0.114
  498    H    GLU  66           HN       GLU  66  72.996  11.823  -0.035
  499    HA   GLU  66           HA       GLU  66  72.054  14.539  -0.581
  500   1HB   GLU  66           HB2      GLU  66  73.572  13.701   1.298
  501   2HB   GLU  66           HB1      GLU  66  74.845  13.578   0.083
  502   1HG   GLU  66           HG2      GLU  66  74.876  15.755   1.329
  503   2HG   GLU  66           HG1      GLU  66  74.675  15.950  -0.413
  504    H    ASP  67           HN       ASP  67  72.064  12.997  -2.992
  505    HA   ASP  67           HA       ASP  67  73.722  14.686  -4.687
  506   1HB   ASP  67           HB2      ASP  67  75.034  12.608  -3.532
  507   2HB   ASP  67           HB1      ASP  67  74.411  11.809  -4.977
  508    H    GLY  68           HN       GLY  68  70.897  13.584  -4.305
  509   1HA   GLY  68           HA2      GLY  68  70.482  12.871  -7.162
  510   2HA   GLY  68           HA1      GLY  68  69.807  11.802  -5.932
  511    H    SER  69           HN       SER  69  67.804  12.299  -5.157
  512    HA   SER  69           HA       SER  69  66.803  14.963  -4.768
  513   1HB   SER  69           HB2      SER  69  65.089  14.346  -6.837
  514   2HB   SER  69           HB1      SER  69  66.472  15.428  -6.973
  515    HG   SER  69           HG       SER  69  66.605  12.616  -7.332
  516    H    GLY  70           HN       GLY  70  66.489  13.225  -2.910
  517   1HA   GLY  70           HA2      GLY  70  64.985  11.957  -1.631
  518   2HA   GLY  70           HA1      GLY  70  63.720  12.749  -2.571
  519    H    THR  71           HN       THR  71  66.261  10.658  -3.877
  520    HA   THR  71           HA       THR  71  64.276   8.481  -4.309
  521    HB   THR  71           HB       THR  71  65.210   8.555  -6.771
  522    HG1  THR  71           HG1      THR  71  65.836  10.598  -7.386
  523   1HG2  THR  71          HG22      THR  71  63.246  10.578  -5.664
  524   2HG2  THR  71          HG21      THR  71  63.407  10.176  -7.373
  525   3HG2  THR  71          HG23      THR  71  62.872   8.949  -6.225
  526    H    VAL  72           HN       VAL  72  65.277   6.528  -4.001
  527    HA   VAL  72           HA       VAL  72  68.259   6.489  -3.865
  528    HB   VAL  72           HB       VAL  72  67.629   4.168  -2.792
  529   1HG1  VAL  72          HG13      VAL  72  67.511   6.930  -1.719
  530   2HG1  VAL  72          HG12      VAL  72  66.887   5.655  -0.672
  531   3HG1  VAL  72          HG11      VAL  72  68.550   5.579  -1.258
  532   1HG2  VAL  72          HG22      VAL  72  65.171   4.581  -3.580
  533   2HG2  VAL  72          HG21      VAL  72  65.448   3.917  -1.969
  534   3HG2  VAL  72          HG23      VAL  72  65.073   5.630  -2.166
  535    H    ASP  73           HN       ASP  73  69.417   4.748  -4.864
  536    HA   ASP  73           HA       ASP  73  68.001   3.551  -7.218
  537   1HB   ASP  73           HB2      ASP  73  70.280   5.147  -6.993
  538   2HB   ASP  73           HB1      ASP  73  70.929   3.520  -7.196
  539    H    PHE  74           HN       PHE  74  69.404   1.423  -7.863
  540    HA   PHE  74           HA       PHE  74  68.935  -0.520  -5.826
  541   1HB   PHE  74           HB2      PHE  74  69.101  -0.841  -8.327
  542   2HB   PHE  74           HB1      PHE  74  70.848  -0.656  -8.178
  543    HD1  PHE  74           HD2      PHE  74  68.461  -2.352  -5.861
  544    HD2  PHE  74           HD1      PHE  74  71.707  -2.808  -8.638
  545    HE1  PHE  74           HE2      PHE  74  68.662  -4.743  -5.234
  546    HE2  PHE  74           HE1      PHE  74  71.908  -5.199  -8.010
  547    HZ   PHE  74           HZ       PHE  74  70.386  -6.166  -6.309
  548    H    ASP  75           HN       ASP  75  71.490   1.725  -6.203
  549    HA   ASP  75           HA       ASP  75  73.508   0.103  -4.790
  550   1HB   ASP  75           HB2      ASP  75  73.455   3.026  -5.609
  551   2HB   ASP  75           HB1      ASP  75  74.885   2.095  -5.160
  552    H    GLU  76           HN       GLU  76  71.712   3.148  -4.154
  553    HA   GLU  76           HA       GLU  76  72.614   3.321  -1.401
  554   1HB   GLU  76           HB2      GLU  76  70.300   4.608  -2.891
  555   2HB   GLU  76           HB1      GLU  76  70.951   5.158  -1.347
  556   1HG   GLU  76           HG2      GLU  76  73.213   5.342  -2.535
  557   2HG   GLU  76           HG1      GLU  76  72.316   5.159  -4.043
  558    H    PHE  77           HN       PHE  77  69.546   2.304  -2.948
  559    HA   PHE  77           HA       PHE  77  67.983   1.812  -0.676
  560   1HB   PHE  77           HB2      PHE  77  67.049   1.605  -2.855
  561   2HB   PHE  77           HB1      PHE  77  68.270   0.430  -3.349
  562    HD1  PHE  77           HD1      PHE  77  65.614   0.892  -0.736
  563    HD2  PHE  77           HD2      PHE  77  67.723  -1.837  -3.297
  564    HE1  PHE  77           HE1      PHE  77  64.151  -0.957   0.031
  565    HE2  PHE  77           HE2      PHE  77  66.259  -3.686  -2.530
  566    HZ   PHE  77           HZ       PHE  77  64.473  -3.246  -0.866
  567    H    LEU  78           HN       LEU  78  70.222  -0.507  -2.265
  568    HA   LEU  78           HA       LEU  78  69.854  -2.622  -0.380
  569   1HB   LEU  78           HB2      LEU  78  70.898  -3.363  -2.282
  570   2HB   LEU  78           HB1      LEU  78  71.692  -1.816  -2.561
  571    HG   LEU  78           HG       LEU  78  73.380  -2.322  -0.897
  572   1HD1  LEU  78          HD13      LEU  78  71.480  -3.864   0.300
  573   2HD1  LEU  78          HD12      LEU  78  72.469  -5.107  -0.464
  574   3HD1  LEU  78          HD11      LEU  78  73.200  -3.974   0.671
  575   1HD2  LEU  78          HD22      LEU  78  73.058  -3.677  -3.314
  576   2HD2  LEU  78          HD21      LEU  78  74.546  -3.582  -2.373
  577   3HD2  LEU  78          HD23      LEU  78  73.457  -4.953  -2.165
  578    H    VAL  79           HN       VAL  79  72.271   0.009  -0.537
  579    HA   VAL  79           HA       VAL  79  73.828  -0.734   1.725
  580    HB   VAL  79           HB       VAL  79  73.083   1.969   0.558
  581   1HG1  VAL  79          HG13      VAL  79  75.257   1.141   2.498
  582   2HG1  VAL  79          HG12      VAL  79  75.288   2.659   1.602
  583   3HG1  VAL  79          HG11      VAL  79  73.992   2.343   2.754
  584   1HG2  VAL  79          HG22      VAL  79  74.463  -0.136  -0.586
  585   2HG2  VAL  79          HG21      VAL  79  74.625   1.556  -1.054
  586   3HG2  VAL  79          HG23      VAL  79  75.759   0.848   0.095
  587    H    MET  80           HN       MET  80  70.939   1.351   1.488
  588    HA   MET  80           HA       MET  80  70.741   2.151   4.195
  589   1HB   MET  80           HB2      MET  80  68.888   1.721   1.880
  590   2HB   MET  80           HB1      MET  80  68.180   2.051   3.460
  591   1HG   MET  80           HG2      MET  80  70.359   3.861   3.069
  592   2HG   MET  80           HG1      MET  80  69.334   3.915   1.634
  593   1HE   MET  80           HE2      MET  80  67.138   4.599   1.418
  594   2HE   MET  80           HE1      MET  80  66.394   5.807   2.462
  595   3HE   MET  80           HE3      MET  80  67.970   6.121   1.723
  596    H    MET  81           HN       MET  81  70.145  -0.953   2.719
  597    HA   MET  81           HA       MET  81  68.463  -1.998   4.873
  598   1HB   MET  81           HB2      MET  81  69.453  -2.743   2.256
  599   2HB   MET  81           HB1      MET  81  69.666  -4.080   3.387
  600   1HG   MET  81           HG2      MET  81  67.486  -4.505   2.809
  601   2HG   MET  81           HG1      MET  81  67.173  -3.322   4.080
  602   1HE   MET  81           HE3      MET  81  65.045  -3.952   2.043
  603   2HE   MET  81           HE2      MET  81  64.860  -2.648   3.211
  604   3HE   MET  81           HE1      MET  81  64.483  -2.361   1.514
  605    H    VAL  82           HN       VAL  82  71.819  -2.682   3.797
  606    HA   VAL  82           HA       VAL  82  72.617  -4.414   5.845
  607    HB   VAL  82           HB       VAL  82  74.876  -3.635   5.282
  608   1HG1  VAL  82          HG12      VAL  82  73.233  -4.829   3.580
  609   2HG1  VAL  82          HG11      VAL  82  73.372  -3.300   2.710
  610   3HG1  VAL  82          HG13      VAL  82  74.814  -4.259   3.045
  611   1HG2  VAL  82          HG21      VAL  82  73.641  -1.137   5.110
  612   2HG2  VAL  82          HG23      VAL  82  75.313  -1.496   4.687
  613   3HG2  VAL  82          HG22      VAL  82  74.065  -1.516   3.442
  614    H    ARG  83           HN       ARG  83  71.905  -1.014   6.052
  615    HA   ARG  83           HA       ARG  83  73.251  -0.760   8.693
  616   1HB   ARG  83           HB2      ARG  83  73.100   0.902   6.589
  617   2HB   ARG  83           HB1      ARG  83  71.638   1.414   7.433
  618   1HG   ARG  83           HG2      ARG  83  73.290   2.799   8.367
  619   2HG   ARG  83           HG1      ARG  83  73.163   1.491   9.542
  620   1HD   ARG  83           HD2      ARG  83  75.125   0.387   8.615
  621   2HD   ARG  83           HD1      ARG  83  75.211   1.574   7.298
  622    HE   ARG  83           HE       ARG  83  75.188   3.110   9.623
  623   1HH1  ARG  83          HH11      ARG  83  76.806   0.180   9.482
  624   2HH1  ARG  83          HH12      ARG  83  78.387   0.835   9.748
  625   1HH2  ARG  83          HH21      ARG  83  77.357   4.134   9.466
  626   2HH2  ARG  83          HH22      ARG  83  78.699   3.074   9.740
  627    H    CYS  84           HN       CYS  84  70.250  -1.678   7.447
  628    HA   CYS  84           HA       CYS  84  68.821  -0.792   9.932
  629   1HB   CYS  84           HB2      CYS  84  67.921  -1.398   7.102
  630   2HB   CYS  84           HB1      CYS  84  66.791  -1.147   8.432
  631    HG   CYS  84           HG       CYS  84  68.619   1.044   7.198
  632    H    MET  85           HN       MET  85  70.358  -3.423   8.699
  633    HA   MET  85           HA       MET  85  68.476  -5.565   8.957
  634   1HB   MET  85           HB2      MET  85  71.482  -5.317   9.237
  635   2HB   MET  85           HB1      MET  85  70.651  -6.873   9.289
  636   1HG   MET  85           HG2      MET  85  70.070  -4.998   7.022
  637   2HG   MET  85           HG1      MET  85  71.565  -5.933   6.994
  638   1HE   MET  85           HE2      MET  85  70.066  -6.220   4.766
  639   2HE   MET  85           HE1      MET  85  68.979  -7.588   4.544
  640   3HE   MET  85           HE3      MET  85  68.376  -6.079   5.242
  641    H    LYS  86           HN       LYS  86  71.201  -5.160  11.212
  642    HA   LYS  86           HA       LYS  86  69.306  -5.748  13.462
  643   1HB   LYS  86           HB2      LYS  86  70.827  -7.571  13.069
  644   2HB   LYS  86           HB1      LYS  86  72.200  -6.472  12.931
  645   1HG   LYS  86           HG2      LYS  86  72.498  -6.417  15.167
  646   2HG   LYS  86           HG1      LYS  86  70.782  -6.132  15.458
  647   1HD   LYS  86           HD2      LYS  86  71.647  -8.864  14.591
  648   2HD   LYS  86           HD1      LYS  86  71.928  -8.383  16.265
  649   1HE   LYS  86           HE2      LYS  86  69.713  -8.517  16.783
  650   2HE   LYS  86           HE1      LYS  86  69.231  -7.705  15.279
  651   1HZ   LYS  86           HZ1      LYS  86  70.115  -9.895  14.216
  652   2HZ   LYS  86           HZ3      LYS  86  69.803 -10.550  15.749
  653   3HZ   LYS  86           HZ2      LYS  86  68.542  -9.841  14.859
  654    H    ASP  87           HN       ASP  87  72.664  -4.834  13.866
  655    HA   ASP  87           HA       ASP  87  73.614  -3.013  15.040
  656   1HB   ASP  87           HB2      ASP  87  71.911  -2.148  12.889
  657   2HB   ASP  87           HB1      ASP  87  71.823  -0.968  14.198
  658    H    ASP  88           HN       ASP  88  72.017  -4.433  16.747
  659    HA   ASP  88           HA       ASP  88  70.366  -2.354  18.148
  660   1HB   ASP  88           HB2      ASP  88  69.536  -4.706  17.122
  661   2HB   ASP  88           HB1      ASP  88  70.067  -5.267  18.709
  662    H    SER  89           HN       SER  89  72.997  -2.128  18.732
  663    HA   SER  89           HA       SER  89  73.133  -2.977  21.539
  664   1HB   SER  89           HB2      SER  89  75.240  -4.263  21.167
  665   2HB   SER  89           HB1      SER  89  73.862  -4.988  20.345
  666    HG   SER  89           HG       SER  89  75.472  -3.086  19.035
   
  No H/Q in entry =         666
  Start of MODEL    5
    1   1H    MET   1           HT3      MET   1  88.157   8.119  -1.387
    2   2H    MET   1           HT2      MET   1  89.473   7.413  -0.576
    3   3H    MET   1           HT1      MET   1  89.707   8.789  -1.545
    4    HA   MET   1           HA       MET   1  89.419   7.608  -3.532
    5   1HB   MET   1           HB2      MET   1  91.148   6.683  -1.385
    6   2HB   MET   1           HB1      MET   1  90.800   5.380  -2.521
    7   1HG   MET   1           HG2      MET   1  92.167   6.289  -4.060
    8   2HG   MET   1           HG1      MET   1  91.304   7.825  -3.969
    9   1HE   MET   1           HE1      MET   1  92.237   9.818  -3.346
   10   2HE   MET   1           HE3      MET   1  93.938  10.036  -2.910
   11   3HE   MET   1           HE2      MET   1  93.507   9.217  -4.409
   12    H    ASP   2           HN       ASP   2  88.672   5.428  -0.784
   13    HA   ASP   2           HA       ASP   2  86.833   3.915  -2.608
   14   1HB   ASP   2           HB2      ASP   2  87.270   2.036  -1.082
   15   2HB   ASP   2           HB1      ASP   2  88.796   2.714  -1.652
   16    H    ASP   3           HN       ASP   3  85.485   2.565  -0.476
   17    HA   ASP   3           HA       ASP   3  84.266   4.677   1.212
   18   1HB   ASP   3           HB2      ASP   3  83.268   3.944  -1.330
   19   2HB   ASP   3           HB1      ASP   3  82.194   3.186  -0.153
   20    H    ILE   4           HN       ILE   4  83.293   3.791   3.064
   21    HA   ILE   4           HA       ILE   4  84.023   1.113   3.838
   22    HB   ILE   4           HB       ILE   4  82.906   1.716   5.879
   23   1HG1  ILE   4          HG12      ILE   4  81.448   3.775   4.188
   24   2HG1  ILE   4          HG11      ILE   4  80.739   2.342   4.934
   25   1HG2  ILE   4          HG23      ILE   4  84.833   3.277   4.771
   26   2HG2  ILE   4          HG22      ILE   4  83.565   4.477   5.018
   27   3HG2  ILE   4          HG21      ILE   4  84.177   3.548   6.387
   28   1HD1  ILE   4          HD11      ILE   4  82.204   4.037   6.833
   29   2HD1  ILE   4          HD13      ILE   4  80.826   4.848   6.089
   30   3HD1  ILE   4          HD12      ILE   4  80.591   3.336   6.965
   31    H    TYR   5           HN       TYR   5  80.951   2.589   2.783
   32    HA   TYR   5           HA       TYR   5  79.315   0.257   3.159
   33   1HB   TYR   5           HB2      TYR   5  79.127   2.676   1.336
   34   2HB   TYR   5           HB1      TYR   5  77.805   1.539   1.602
   35    HD1  TYR   5           HD2      TYR   5  77.038   1.137   4.029
   36    HD2  TYR   5           HD1      TYR   5  79.497   4.453   2.842
   37    HE1  TYR   5           HE2      TYR   5  76.415   2.343   6.105
   38    HE2  TYR   5           HE1      TYR   5  78.874   5.659   4.916
   39    HH   TYR   5           HH       TYR   5  78.063   5.066   7.213
   40    H    LYS   6           HN       LYS   6  81.611   1.155   0.702
   41    HA   LYS   6           HA       LYS   6  80.695  -0.220  -1.575
   42   1HB   LYS   6           HB2      LYS   6  82.809   1.234  -1.051
   43   2HB   LYS   6           HB1      LYS   6  83.562  -0.311  -0.655
   44   1HG   LYS   6           HG2      LYS   6  83.994  -0.501  -2.866
   45   2HG   LYS   6           HG1      LYS   6  82.273  -0.833  -3.056
   46   1HD   LYS   6           HD2      LYS   6  81.788   1.469  -3.522
   47   2HD   LYS   6           HD1      LYS   6  83.409   1.971  -3.039
   48   1HE   LYS   6           HE2      LYS   6  83.246  -0.062  -5.216
   49   2HE   LYS   6           HE1      LYS   6  82.767   1.597  -5.624
   50   1HZ   LYS   6           HZ2      LYS   6  84.889   2.125  -4.179
   51   2HZ   LYS   6           HZ1      LYS   6  85.358   0.584  -4.718
   52   3HZ   LYS   6           HZ3      LYS   6  85.011   1.803  -5.843
   53    H    ALA   7           HN       ALA   7  82.201  -1.498   1.366
   54    HA   ALA   7           HA       ALA   7  82.534  -4.200   0.308
   55   1HB   ALA   7           HB3      ALA   7  83.060  -2.641   2.740
   56   2HB   ALA   7           HB2      ALA   7  82.591  -4.307   3.081
   57   3HB   ALA   7           HB1      ALA   7  83.981  -3.976   2.047
   58    H    ALA   8           HN       ALA   8  79.997  -2.418   1.943
   59    HA   ALA   8           HA       ALA   8  78.479  -4.487   3.115
   60   1HB   ALA   8           HB2      ALA   8  78.266  -1.816   2.810
   61   2HB   ALA   8           HB1      ALA   8  77.081  -2.329   1.609
   62   3HB   ALA   8           HB3      ALA   8  76.898  -2.820   3.293
   63    H    VAL   9           HN       VAL   9  78.038  -3.124  -0.178
   64    HA   VAL   9           HA       VAL   9  76.162  -5.102  -1.053
   65    HB   VAL   9           HB       VAL   9  78.139  -3.330  -2.525
   66   1HG1  VAL   9          HG12      VAL   9  75.913  -5.121  -3.463
   67   2HG1  VAL   9          HG11      VAL   9  76.273  -3.637  -4.346
   68   3HG1  VAL   9          HG13      VAL   9  77.514  -4.877  -4.163
   69   1HG2  VAL   9          HG23      VAL   9  76.134  -2.506  -0.941
   70   2HG2  VAL   9          HG22      VAL   9  76.537  -1.672  -2.442
   71   3HG2  VAL   9          HG21      VAL   9  75.200  -2.822  -2.403
   72    H    GLU  10           HN       GLU  10  79.708  -4.975  -1.143
   73    HA   GLU  10           HA       GLU  10  80.187  -7.172  -2.892
   74   1HB   GLU  10           HB2      GLU  10  81.862  -5.531  -2.113
   75   2HB   GLU  10           HB1      GLU  10  81.726  -6.168  -0.474
   76   1HG   GLU  10           HG2      GLU  10  83.306  -7.688  -0.982
   77   2HG   GLU  10           HG1      GLU  10  82.194  -8.397  -2.151
   78    H    GLN  11           HN       GLN  11  79.286  -7.048   0.512
   79    HA   GLN  11           HA       GLN  11  79.953  -9.781   1.168
   80   1HB   GLN  11           HB2      GLN  11  78.563  -7.450   2.306
   81   2HB   GLN  11           HB1      GLN  11  77.901  -8.994   2.845
   82   1HG   GLN  11           HG2      GLN  11  79.608  -9.109   4.312
   83   2HG   GLN  11           HG1      GLN  11  80.682  -9.338   2.932
   84   1HE2  GLN  11          HE22      GLN  11  80.470  -5.652   4.722
   85   2HE2  GLN  11          HE21      GLN  11  79.258  -6.802   5.025
   86    H    LEU  12           HN       LEU  12  77.107  -8.210  -0.225
   87    HA   LEU  12           HA       LEU  12  75.360 -10.523   0.038
   88   1HB   LEU  12           HB2      LEU  12  75.239  -8.075  -1.756
   89   2HB   LEU  12           HB1      LEU  12  73.885  -9.134  -1.360
   90    HG   LEU  12           HG       LEU  12  75.488  -7.687   0.757
   91   1HD1  LEU  12          HD12      LEU  12  73.337  -6.718  -1.039
   92   2HD1  LEU  12          HD11      LEU  12  73.117  -6.364   0.673
   93   3HD1  LEU  12          HD13      LEU  12  74.567  -5.808  -0.163
   94   1HD2  LEU  12          HD23      LEU  12  72.749  -8.996   0.710
   95   2HD2  LEU  12          HD22      LEU  12  74.186  -9.622   1.517
   96   3HD2  LEU  12          HD21      LEU  12  73.431  -8.135   2.090
   97    H    THR  13           HN       THR  13  74.780 -11.997  -1.632
   98    HA   THR  13           HA       THR  13  76.805 -12.271  -3.804
   99    HB   THR  13           HB       THR  13  74.942 -14.441  -3.656
  100    HG1  THR  13           HG1      THR  13  75.404 -14.948  -1.403
  101   1HG2  THR  13          HG23      THR  13  77.605 -14.112  -4.001
  102   2HG2  THR  13          HG22      THR  13  77.581 -14.655  -2.323
  103   3HG2  THR  13          HG21      THR  13  76.870 -15.661  -3.585
  104    H    GLU  14           HN       GLU  14  76.065 -12.663  -6.003
  105    HA   GLU  14           HA       GLU  14  74.066 -10.972  -7.009
  106   1HB   GLU  14           HB2      GLU  14  75.709 -11.919  -8.458
  107   2HB   GLU  14           HB1      GLU  14  75.286 -13.564  -7.981
  108   1HG   GLU  14           HG2      GLU  14  73.314 -13.564  -9.235
  109   2HG   GLU  14           HG1      GLU  14  73.210 -11.803  -9.253
  110    H    GLU  15           HN       GLU  15  73.784 -14.358  -5.946
  111    HA   GLU  15           HA       GLU  15  71.058 -14.734  -6.814
  112   1HB   GLU  15           HB2      GLU  15  71.236 -16.751  -5.478
  113   2HB   GLU  15           HB1      GLU  15  72.801 -16.477  -6.245
  114   1HG   GLU  15           HG2      GLU  15  73.660 -16.663  -4.157
  115   2HG   GLU  15           HG1      GLU  15  73.030 -15.035  -3.903
  116    H    GLN  16           HN       GLN  16  72.516 -13.234  -4.003
  117    HA   GLN  16           HA       GLN  16  70.037 -13.274  -2.426
  118   1HB   GLN  16           HB2      GLN  16  71.831 -13.312  -0.997
  119   2HB   GLN  16           HB1      GLN  16  72.898 -12.545  -2.170
  120   1HG   GLN  16           HG2      GLN  16  72.609 -11.033  -0.302
  121   2HG   GLN  16           HG1      GLN  16  71.749 -10.367  -1.690
  122   1HE2  GLN  16          HE22      GLN  16  68.613 -10.468  -0.087
  123   2HE2  GLN  16          HE21      GLN  16  69.527  -9.956  -1.423
  124    H    LYS  17           HN       LYS  17  72.003 -10.863  -4.191
  125    HA   LYS  17           HA       LYS  17  70.397  -8.572  -3.648
  126   1HB   LYS  17           HB2      LYS  17  72.316  -9.463  -5.786
  127   2HB   LYS  17           HB1      LYS  17  71.456  -7.934  -5.980
  128   1HG   LYS  17           HG2      LYS  17  72.634  -6.913  -4.323
  129   2HG   LYS  17           HG1      LYS  17  72.641  -8.355  -3.307
  130   1HD   LYS  17           HD2      LYS  17  74.881  -8.271  -3.881
  131   2HD   LYS  17           HD1      LYS  17  74.267  -9.262  -5.205
  132   1HE   LYS  17           HE2      LYS  17  73.977  -7.141  -6.556
  133   2HE   LYS  17           HE1      LYS  17  74.838  -6.282  -5.264
  134   1HZ   LYS  17           HZ2      LYS  17  76.488  -8.263  -5.515
  135   2HZ   LYS  17           HZ1      LYS  17  75.824  -8.376  -7.075
  136   3HZ   LYS  17           HZ3      LYS  17  76.583  -6.942  -6.579
  137    H    ASN  18           HN       ASN  18  69.784 -11.339  -5.614
  138    HA   ASN  18           HA       ASN  18  68.037 -10.166  -7.583
  139   1HB   ASN  18           HB2      ASN  18  68.434 -12.917  -6.390
  140   2HB   ASN  18           HB1      ASN  18  67.265 -12.621  -7.677
  141   1HD2  ASN  18          HD22      ASN  18  70.085 -11.473  -9.871
  142   2HD2  ASN  18          HD21      ASN  18  68.698 -10.727  -9.238
  143    H    GLU  19           HN       GLU  19  67.536 -11.390  -4.298
  144    HA   GLU  19           HA       GLU  19  64.673 -11.489  -4.328
  145   1HB   GLU  19           HB2      GLU  19  66.862 -11.844  -2.542
  146   2HB   GLU  19           HB1      GLU  19  65.740 -10.724  -1.768
  147   1HG   GLU  19           HG2      GLU  19  64.317 -12.405  -1.315
  148   2HG   GLU  19           HG1      GLU  19  64.247 -12.839  -3.024
  149    H    PHE  20           HN       PHE  20  66.845  -8.950  -3.019
  150    HA   PHE  20           HA       PHE  20  64.848  -7.037  -2.401
  151   1HB   PHE  20           HB2      PHE  20  67.765  -7.156  -2.886
  152   2HB   PHE  20           HB1      PHE  20  67.047  -5.557  -3.081
  153    HD1  PHE  20           HD1      PHE  20  64.901  -5.486  -1.139
  154    HD2  PHE  20           HD2      PHE  20  68.810  -7.229  -0.793
  155    HE1  PHE  20           HE1      PHE  20  64.796  -5.231   1.325
  156    HE2  PHE  20           HE2      PHE  20  68.707  -6.975   1.671
  157    HZ   PHE  20           HZ       PHE  20  66.698  -5.976   2.731
  158    H    LYS  21           HN       LYS  21  66.635  -7.590  -5.435
  159    HA   LYS  21           HA       LYS  21  65.856  -5.361  -6.940
  160   1HB   LYS  21           HB2      LYS  21  67.360  -7.412  -7.451
  161   2HB   LYS  21           HB1      LYS  21  65.877  -8.177  -8.024
  162   1HG   LYS  21           HG2      LYS  21  66.504  -7.195 -10.000
  163   2HG   LYS  21           HG1      LYS  21  65.657  -5.815  -9.299
  164   1HD   LYS  21           HD2      LYS  21  67.623  -4.726  -9.680
  165   2HD   LYS  21           HD1      LYS  21  68.127  -5.513  -8.184
  166   1HE   LYS  21           HE2      LYS  21  69.235  -7.277  -9.367
  167   2HE   LYS  21           HE1      LYS  21  68.479  -6.810 -10.905
  168   1HZ   LYS  21           HZ3      LYS  21  69.545  -4.513 -10.305
  169   2HZ   LYS  21           HZ2      LYS  21  70.619  -5.474  -9.405
  170   3HZ   LYS  21           HZ1      LYS  21  70.463  -5.711 -11.080
  171    H    ALA  22           HN       ALA  22  64.162  -8.525  -7.038
  172    HA   ALA  22           HA       ALA  22  61.890  -7.692  -8.478
  173   1HB   ALA  22           HB3      ALA  22  62.530  -9.824  -6.465
  174   2HB   ALA  22           HB2      ALA  22  60.865  -9.650  -7.020
  175   3HB   ALA  22           HB1      ALA  22  62.150  -9.991  -8.179
  176    H    ALA  23           HN       ALA  23  62.784  -6.913  -5.225
  177    HA   ALA  23           HA       ALA  23  59.987  -6.083  -4.569
  178   1HB   ALA  23           HB2      ALA  23  62.270  -7.191  -3.158
  179   2HB   ALA  23           HB1      ALA  23  61.710  -5.714  -2.374
  180   3HB   ALA  23           HB3      ALA  23  60.596  -7.058  -2.622
  181    H    PHE  24           HN       PHE  24  62.946  -4.811  -5.680
  182    HA   PHE  24           HA       PHE  24  62.393  -2.115  -4.518
  183   1HB   PHE  24           HB2      PHE  24  64.628  -2.834  -4.152
  184   2HB   PHE  24           HB1      PHE  24  64.769  -3.487  -5.785
  185    HD1  PHE  24           HD2      PHE  24  64.570  -0.359  -3.794
  186    HD2  PHE  24           HD1      PHE  24  65.350  -2.090  -7.647
  187    HE1  PHE  24           HE2      PHE  24  65.463   1.814  -4.591
  188    HE2  PHE  24           HE1      PHE  24  66.241   0.083  -8.444
  189    HZ   PHE  24           HZ       PHE  24  66.296   2.034  -6.916
  190    H    ASP  25           HN       ASP  25  63.003  -3.762  -7.628
  191    HA   ASP  25           HA       ASP  25  62.710  -1.454  -9.303
  192   1HB   ASP  25           HB2      ASP  25  63.236  -4.218  -9.503
  193   2HB   ASP  25           HB1      ASP  25  61.817  -3.932 -10.512
  194    H    ILE  26           HN       ILE  26  60.406  -3.072  -7.403
  195    HA   ILE  26           HA       ILE  26  58.104  -2.756  -9.173
  196    HB   ILE  26           HB       ILE  26  58.478  -3.336  -6.223
  197   1HG1  ILE  26          HG12      ILE  26  57.996  -5.020  -8.694
  198   2HG1  ILE  26          HG11      ILE  26  59.357  -5.108  -7.574
  199   1HG2  ILE  26          HG23      ILE  26  55.997  -3.311  -7.961
  200   2HG2  ILE  26          HG22      ILE  26  56.079  -4.177  -6.426
  201   3HG2  ILE  26          HG21      ILE  26  56.269  -2.426  -6.461
  202   1HD1  ILE  26          HD12      ILE  26  56.485  -5.692  -6.813
  203   2HD1  ILE  26          HD11      ILE  26  57.675  -6.928  -7.223
  204   3HD1  ILE  26          HD13      ILE  26  57.911  -5.916  -5.799
  205    H    PHE  27           HN       PHE  27  59.950  -0.425  -7.853
  206    HA   PHE  27           HA       PHE  27  57.630   1.423  -7.555
  207   1HB   PHE  27           HB2      PHE  27  59.872   0.977  -5.559
  208   2HB   PHE  27           HB1      PHE  27  58.687   2.281  -5.450
  209    HD1  PHE  27           HD2      PHE  27  56.175   1.585  -5.516
  210    HD2  PHE  27           HD1      PHE  27  59.390  -1.114  -4.609
  211    HE1  PHE  27           HE2      PHE  27  54.570   0.041  -4.425
  212    HE2  PHE  27           HE1      PHE  27  57.785  -2.659  -3.519
  213    HZ   PHE  27           HZ       PHE  27  55.375  -2.081  -3.427
  214    H    VAL  28           HN       VAL  28  59.726   1.071  -9.633
  215    HA   VAL  28           HA       VAL  28  61.419   3.493  -9.256
  216    HB   VAL  28           HB       VAL  28  61.361   1.239 -11.284
  217   1HG1  VAL  28          HG12      VAL  28  62.778   3.838 -11.231
  218   2HG1  VAL  28          HG11      VAL  28  63.792   2.436 -11.572
  219   3HG1  VAL  28          HG13      VAL  28  62.401   2.789 -12.598
  220   1HG2  VAL  28          HG23      VAL  28  63.254   1.949  -9.021
  221   2HG2  VAL  28          HG22      VAL  28  62.156   0.570  -9.068
  222   3HG2  VAL  28          HG21      VAL  28  63.521   0.648 -10.181
  223    H    LEU  29           HN       LEU  29  58.432   3.471  -9.870
  224    HA   LEU  29           HA       LEU  29  57.643   4.069 -12.436
  225   1HB   LEU  29           HB2      LEU  29  56.167   5.800 -11.297
  226   2HB   LEU  29           HB1      LEU  29  56.158   4.207 -10.537
  227    HG   LEU  29           HG       LEU  29  58.318   5.577  -9.365
  228   1HD1  LEU  29          HD13      LEU  29  56.037   7.364 -10.046
  229   2HD1  LEU  29          HD12      LEU  29  56.681   7.491  -8.409
  230   3HD1  LEU  29          HD11      LEU  29  57.738   7.757  -9.796
  231   1HD2  LEU  29          HD21      LEU  29  55.497   4.990  -8.420
  232   2HD2  LEU  29          HD23      LEU  29  56.928   3.986  -8.187
  233   3HD2  LEU  29          HD22      LEU  29  56.791   5.533  -7.352
  234    H    GLY  30           HN       GLY  30  59.170   5.049 -13.816
  235   1HA   GLY  30           HA2      GLY  30  60.249   6.874 -14.836
  236   2HA   GLY  30           HA1      GLY  30  59.426   7.923 -13.678
  237    H    ALA  31           HN       ALA  31  60.930   9.078 -12.565
  238    HA   ALA  31           HA       ALA  31  62.794   9.502 -11.178
  239   1HB   ALA  31           HB2      ALA  31  61.766   7.219 -10.332
  240   2HB   ALA  31           HB1      ALA  31  63.233   6.533 -11.029
  241   3HB   ALA  31           HB3      ALA  31  63.346   7.739  -9.747
  242    H    GLU  32           HN       GLU  32  65.162   9.413 -11.280
  243    HA   GLU  32           HA       GLU  32  66.392   9.653 -13.717
  244   1HB   GLU  32           HB2      GLU  32  67.130   9.362 -11.017
  245   2HB   GLU  32           HB1      GLU  32  68.114   8.190 -11.894
  246   1HG   GLU  32           HG2      GLU  32  68.112  10.528 -13.475
  247   2HG   GLU  32           HG1      GLU  32  68.368  11.068 -11.815
  248    H    ASP  33           HN       ASP  33  67.037   6.633 -11.923
  249    HA   ASP  33           HA       ASP  33  66.149   4.910 -14.097
  250   1HB   ASP  33           HB2      ASP  33  68.444   6.210 -14.629
  251   2HB   ASP  33           HB1      ASP  33  69.108   4.848 -13.726
  252    H    GLY  34           HN       GLY  34  65.490   3.144 -12.959
  253   1HA   GLY  34           HA2      GLY  34  65.415   1.460 -11.332
  254   2HA   GLY  34           HA1      GLY  34  67.175   1.480 -11.432
  255    H    CYS  35           HN       CYS  35  65.125   4.173 -10.387
  256    HA   CYS  35           HA       CYS  35  66.234   3.836  -7.620
  257   1HB   CYS  35           HB2      CYS  35  66.434   6.340  -7.625
  258   2HB   CYS  35           HB1      CYS  35  67.466   5.563  -8.825
  259    HG   CYS  35           HG       CYS  35  64.796   6.288 -10.048
  260    H    ILE  36           HN       ILE  36  64.766   4.354  -5.952
  261    HA   ILE  36           HA       ILE  36  61.966   4.961  -6.844
  262    HB   ILE  36           HB       ILE  36  61.304   3.628  -4.893
  263   1HG1  ILE  36          HG12      ILE  36  64.289   3.357  -4.403
  264   2HG1  ILE  36          HG11      ILE  36  63.181   4.318  -3.424
  265   1HG2  ILE  36          HG21      ILE  36  63.351   2.469  -6.775
  266   2HG2  ILE  36          HG23      ILE  36  62.601   1.460  -5.539
  267   3HG2  ILE  36          HG22      ILE  36  61.604   2.239  -6.768
  268   1HD1  ILE  36          HD12      ILE  36  62.951   1.327  -3.872
  269   2HD1  ILE  36          HD11      ILE  36  63.604   2.085  -2.420
  270   3HD1  ILE  36          HD13      ILE  36  61.906   2.307  -2.843
  271    H    SER  37           HN       SER  37  60.674   6.191  -5.197
  272    HA   SER  37           HA       SER  37  62.174   8.495  -4.204
  273   1HB   SER  37           HB2      SER  37  59.819   8.372  -5.241
  274   2HB   SER  37           HB1      SER  37  59.286   7.759  -3.678
  275    HG   SER  37           HG       SER  37  60.008  10.293  -4.442
  276    H    THR  38           HN       THR  38  62.051   9.193  -1.911
  277    HA   THR  38           HA       THR  38  62.882   7.222  -0.045
  278    HB   THR  38           HB       THR  38  62.714   9.044   1.536
  279    HG1  THR  38           HG1      THR  38  61.271  10.643  -0.219
  280   1HG2  THR  38          HG22      THR  38  64.016   9.252  -0.882
  281   2HG2  THR  38          HG21      THR  38  63.097  10.757  -0.821
  282   3HG2  THR  38          HG23      THR  38  64.224  10.359   0.476
  283    H    LYS  39           HN       LYS  39  59.663   8.363  -0.909
  284    HA   LYS  39           HA       LYS  39  58.309   7.208   1.397
  285   1HB   LYS  39           HB2      LYS  39  56.338   7.925   0.222
  286   2HB   LYS  39           HB1      LYS  39  57.578   9.132  -0.115
  287   1HG   LYS  39           HG2      LYS  39  58.077   8.055  -2.263
  288   2HG   LYS  39           HG1      LYS  39  56.885   6.799  -1.925
  289   1HD   LYS  39           HD2      LYS  39  55.465   8.164  -3.068
  290   2HD   LYS  39           HD1      LYS  39  55.388   9.054  -1.547
  291   1HE   LYS  39           HE2      LYS  39  57.526  10.283  -2.463
  292   2HE   LYS  39           HE1      LYS  39  56.945   9.707  -4.038
  293   1HZ   LYS  39           HZ2      LYS  39  54.934  10.790  -2.237
  294   2HZ   LYS  39           HZ1      LYS  39  56.024  11.919  -2.887
  295   3HZ   LYS  39           HZ3      LYS  39  55.084  10.957  -3.921
  296    H    GLU  40           HN       GLU  40  59.779   5.820  -1.304
  297    HA   GLU  40           HA       GLU  40  57.845   3.570  -1.512
  298   1HB   GLU  40           HB2      GLU  40  60.420   4.179  -3.001
  299   2HB   GLU  40           HB1      GLU  40  59.201   2.991  -3.468
  300   1HG   GLU  40           HG2      GLU  40  58.587   5.939  -3.153
  301   2HG   GLU  40           HG1      GLU  40  59.061   5.216  -4.691
  302    H    LEU  41           HN       LEU  41  61.044   4.343  -0.267
  303    HA   LEU  41           HA       LEU  41  62.037   1.669   0.055
  304   1HB   LEU  41           HB2      LEU  41  62.888   4.282   0.446
  305   2HB   LEU  41           HB1      LEU  41  62.821   3.638   2.086
  306    HG   LEU  41           HG       LEU  41  64.386   2.560  -0.266
  307   1HD1  LEU  41          HD13      LEU  41  65.325   4.391   1.220
  308   2HD1  LEU  41          HD12      LEU  41  65.257   3.240   2.553
  309   3HD1  LEU  41          HD11      LEU  41  66.290   2.916   1.161
  310   1HD2  LEU  41          HD22      LEU  41  63.312   1.189   2.135
  311   2HD2  LEU  41          HD21      LEU  41  63.805   0.514   0.581
  312   3HD2  LEU  41          HD23      LEU  41  65.019   0.905   1.798
  313    H    GLY  42           HN       GLY  42  59.854   3.660   1.973
  314   1HA   GLY  42           HA2      GLY  42  59.983   2.234   4.430
  315   2HA   GLY  42           HA1      GLY  42  58.578   3.145   3.874
  316    H    LYS  43           HN       LYS  43  57.187   1.996   2.220
  317    HA   LYS  43           HA       LYS  43  56.166  -0.435   3.139
  318   1HB   LYS  43           HB2      LYS  43  55.059  -0.520   0.971
  319   2HB   LYS  43           HB1      LYS  43  55.187   1.168   1.468
  320   1HG   LYS  43           HG2      LYS  43  57.388   1.214   0.133
  321   2HG   LYS  43           HG1      LYS  43  56.848  -0.308  -0.577
  322   1HD   LYS  43           HD2      LYS  43  55.473   2.385  -0.714
  323   2HD   LYS  43           HD1      LYS  43  56.099   1.424  -2.055
  324   1HE   LYS  43           HE2      LYS  43  53.827   0.886  -2.167
  325   2HE   LYS  43           HE1      LYS  43  54.402  -0.395  -1.083
  326   1HZ   LYS  43           HZ1      LYS  43  53.818   2.149   0.184
  327   2HZ   LYS  43           HZ3      LYS  43  52.465   1.330  -0.429
  328   3HZ   LYS  43           HZ2      LYS  43  53.471   0.571   0.709
  329    H    VAL  44           HN       VAL  44  58.921   0.107   1.002
  330    HA   VAL  44           HA       VAL  44  59.173  -2.663   0.147
  331    HB   VAL  44           HB       VAL  44  60.852  -0.155   0.088
  332   1HG1  VAL  44          HG11      VAL  44  62.400  -2.058   0.408
  333   2HG1  VAL  44          HG13      VAL  44  61.653  -2.889  -0.957
  334   3HG1  VAL  44          HG12      VAL  44  62.540  -1.385  -1.217
  335   1HG2  VAL  44          HG23      VAL  44  58.973  -0.395  -1.501
  336   2HG2  VAL  44          HG22      VAL  44  60.522  -0.423  -2.345
  337   3HG2  VAL  44          HG21      VAL  44  59.645  -1.927  -2.061
  338    H    MET  45           HN       MET  45  60.513  -0.688   2.770
  339    HA   MET  45           HA       MET  45  62.559  -2.462   3.659
  340   1HB   MET  45           HB2      MET  45  60.971  -0.177   4.664
  341   2HB   MET  45           HB1      MET  45  61.659  -1.207   5.920
  342   1HG   MET  45           HG2      MET  45  63.630  -0.782   3.870
  343   2HG   MET  45           HG1      MET  45  62.993   0.778   4.391
  344   1HE   MET  45           HE2      MET  45  65.649   0.050   4.414
  345   2HE   MET  45           HE1      MET  45  65.830   1.213   5.726
  346   3HE   MET  45           HE3      MET  45  66.470  -0.426   5.899
  347    H    ARG  46           HN       ARG  46  59.109  -2.239   4.590
  348    HA   ARG  46           HA       ARG  46  59.290  -4.479   6.453
  349   1HB   ARG  46           HB2      ARG  46  56.980  -4.013   6.790
  350   2HB   ARG  46           HB1      ARG  46  57.694  -2.445   6.418
  351   1HG   ARG  46           HG2      ARG  46  57.104  -3.117   3.930
  352   2HG   ARG  46           HG1      ARG  46  55.934  -4.175   4.717
  353   1HD   ARG  46           HD2      ARG  46  56.159  -1.167   5.104
  354   2HD   ARG  46           HD1      ARG  46  54.857  -2.026   4.256
  355    HE   ARG  46           HE       ARG  46  54.794  -3.285   6.649
  356   1HH1  ARG  46          HH11      ARG  46  56.229  -1.111   8.025
  357   2HH1  ARG  46          HH12      ARG  46  54.954  -0.037   8.496
  358   1HH2  ARG  46          HH21      ARG  46  52.638  -1.400   6.306
  359   2HH2  ARG  46          HH22      ARG  46  52.922  -0.199   7.522
  360    H    MET  47           HN       MET  47  58.659  -4.087   3.041
  361    HA   MET  47           HA       MET  47  57.160  -6.396   2.427
  362   1HB   MET  47           HB2      MET  47  58.785  -4.413   1.133
  363   2HB   MET  47           HB1      MET  47  59.172  -5.991   0.450
  364   1HG   MET  47           HG2      MET  47  56.824  -6.414  -0.031
  365   2HG   MET  47           HG1      MET  47  56.357  -4.917   0.778
  366   1HE   MET  47           HE1      MET  47  58.053  -6.731  -1.861
  367   2HE   MET  47           HE3      MET  47  58.199  -5.668  -3.268
  368   3HE   MET  47           HE2      MET  47  59.403  -5.605  -1.982
  369    H    LEU  48           HN       LEU  48  60.393  -6.150   3.635
  370    HA   LEU  48           HA       LEU  48  60.894  -9.024   2.935
  371   1HB   LEU  48           HB2      LEU  48  62.496  -6.547   2.956
  372   2HB   LEU  48           HB1      LEU  48  63.309  -7.939   3.670
  373    HG   LEU  48           HG       LEU  48  62.032  -8.899   1.343
  374   1HD1  LEU  48          HD11      LEU  48  62.489  -6.130   1.066
  375   2HD1  LEU  48          HD13      LEU  48  63.792  -6.920   0.180
  376   3HD1  LEU  48          HD12      LEU  48  62.111  -7.278  -0.217
  377   1HD2  LEU  48          HD21      LEU  48  64.403  -9.223   2.585
  378   2HD2  LEU  48          HD23      LEU  48  64.139  -9.716   0.911
  379   3HD2  LEU  48          HD22      LEU  48  64.920  -8.175   1.264
  380    H    GLY  49           HN       GLY  49  60.238  -6.854   5.492
  381   1HA   GLY  49           HA2      GLY  49  59.753  -8.256   7.623
  382   2HA   GLY  49           HA1      GLY  49  61.452  -8.710   7.492
  383    H    GLN  50           HN       GLN  50  63.025  -6.830   7.473
  384    HA   GLN  50           HA       GLN  50  62.986  -5.277   9.751
  385   1HB   GLN  50           HB2      GLN  50  64.058  -4.728   6.973
  386   2HB   GLN  50           HB1      GLN  50  64.450  -3.702   8.353
  387   1HG   GLN  50           HG2      GLN  50  66.110  -5.147   8.839
  388   2HG   GLN  50           HG1      GLN  50  64.862  -6.316   9.272
  389   1HE2  GLN  50          HE22      GLN  50  66.397  -8.318   6.750
  390   2HE2  GLN  50          HE21      GLN  50  66.247  -8.078   8.424
  391    H    ASN  51           HN       ASN  51  61.634  -3.686  10.481
  392    HA   ASN  51           HA       ASN  51  60.317  -1.893   8.480
  393   1HB   ASN  51           HB2      ASN  51  58.241  -2.173   9.942
  394   2HB   ASN  51           HB1      ASN  51  58.704  -3.594   9.003
  395   1HD2  ASN  51          HD22      ASN  51  58.884  -3.711  13.072
  396   2HD2  ASN  51          HD21      ASN  51  58.483  -2.274  12.264
  397    HA   PRO  52           HA       PRO  52  62.171   0.397  12.058
  398   1HB   PRO  52           HB2      PRO  52  63.470   2.262  10.534
  399   2HB   PRO  52           HB1      PRO  52  64.191   0.699  10.967
  400   1HG   PRO  52           HG2      PRO  52  62.912   1.553   8.421
  401   2HG   PRO  52           HG1      PRO  52  64.327   0.523   8.683
  402   1HD   PRO  52           HD2      PRO  52  61.846  -0.438   8.064
  403   2HD   PRO  52           HD1      PRO  52  63.063  -1.360   8.972
  404    H    THR  53           HN       THR  53  62.297   3.202  11.664
  405    HA   THR  53           HA       THR  53  59.434   3.842  11.026
  406    HB   THR  53           HB       THR  53  60.309   5.825  12.692
  407    HG1  THR  53           HG1      THR  53  61.876   5.139  13.916
  408   1HG2  THR  53          HG22      THR  53  58.711   3.417  12.879
  409   2HG2  THR  53          HG21      THR  53  59.508   3.756  14.416
  410   3HG2  THR  53          HG23      THR  53  58.473   4.975  13.671
  411    HA   PRO  54           HA       PRO  54  60.797   6.892   8.185
  412   1HB   PRO  54           HB2      PRO  54  59.170   9.026   8.724
  413   2HB   PRO  54           HB1      PRO  54  58.592   7.546   7.933
  414   1HG   PRO  54           HG2      PRO  54  58.314   8.411  10.765
  415   2HG   PRO  54           HG1      PRO  54  57.161   7.558   9.725
  416   1HD   PRO  54           HD2      PRO  54  58.679   6.330  11.641
  417   2HD   PRO  54           HD1      PRO  54  58.062   5.510  10.189
  418    H    GLU  55           HN       GLU  55  60.343   8.253  11.464
  419    HA   GLU  55           HA       GLU  55  61.838  10.578  11.380
  420   1HB   GLU  55           HB2      GLU  55  60.651   9.414  13.321
  421   2HB   GLU  55           HB1      GLU  55  62.121   8.463  13.530
  422   1HG   GLU  55           HG2      GLU  55  62.287  10.343  15.022
  423   2HG   GLU  55           HG1      GLU  55  63.395  10.647  13.685
  424    H    GLU  56           HN       GLU  56  63.127   7.256  11.619
  425    HA   GLU  56           HA       GLU  56  65.911   8.149  11.675
  426   1HB   GLU  56           HB2      GLU  56  64.323   5.711  11.920
  427   2HB   GLU  56           HB1      GLU  56  65.784   5.445  10.970
  428   1HG   GLU  56           HG2      GLU  56  67.048   6.664  12.829
  429   2HG   GLU  56           HG1      GLU  56  65.577   6.513  13.791
  430    H    LEU  57           HN       LEU  57  63.603   7.080   9.227
  431    HA   LEU  57           HA       LEU  57  65.398   6.512   7.092
  432   1HB   LEU  57           HB2      LEU  57  62.574   6.988   7.573
  433   2HB   LEU  57           HB1      LEU  57  63.072   7.698   6.037
  434    HG   LEU  57           HG       LEU  57  64.362   5.268   5.990
  435   1HD1  LEU  57          HD13      LEU  57  61.630   4.893   7.258
  436   2HD1  LEU  57          HD12      LEU  57  62.639   3.598   6.614
  437   3HD1  LEU  57          HD11      LEU  57  63.180   4.522   8.015
  438   1HD2  LEU  57          HD23      LEU  57  62.315   6.636   4.589
  439   2HD2  LEU  57          HD22      LEU  57  63.252   5.251   4.029
  440   3HD2  LEU  57          HD21      LEU  57  61.719   4.999   4.862
  441    H    GLN  58           HN       GLN  58  63.436   9.497   7.369
  442    HA   GLN  58           HA       GLN  58  64.827  11.066   5.509
  443   1HB   GLN  58           HB2      GLN  58  63.192  11.523   7.969
  444   2HB   GLN  58           HB1      GLN  58  64.048  12.912   7.297
  445   1HG   GLN  58           HG2      GLN  58  62.770  11.365   5.198
  446   2HG   GLN  58           HG1      GLN  58  61.597  11.876   6.412
  447   1HE2  GLN  58          HE22      GLN  58  62.313  14.590   3.789
  448   2HE2  GLN  58          HE21      GLN  58  62.065  12.923   3.593
  449    H    GLU  59           HN       GLU  59  65.685  10.305   8.850
  450    HA   GLU  59           HA       GLU  59  67.766  12.281   9.153
  451   1HB   GLU  59           HB2      GLU  59  66.529  10.962  10.932
  452   2HB   GLU  59           HB1      GLU  59  67.492   9.560  10.465
  453   1HG   GLU  59           HG2      GLU  59  68.433  10.849  12.419
  454   2HG   GLU  59           HG1      GLU  59  69.545  10.685  11.061
  455    H    MET  60           HN       MET  60  67.574   9.443   7.262
  456    HA   MET  60           HA       MET  60  70.562   9.210   7.155
  457   1HB   MET  60           HB2      MET  60  68.273   7.296   6.636
  458   2HB   MET  60           HB1      MET  60  69.935   6.925   6.176
  459   1HG   MET  60           HG2      MET  60  70.543   7.483   8.621
  460   2HG   MET  60           HG1      MET  60  68.813   7.357   8.945
  461   1HE   MET  60           HE3      MET  60  67.788   5.519   7.012
  462   2HE   MET  60           HE2      MET  60  68.013   3.836   7.483
  463   3HE   MET  60           HE1      MET  60  67.392   4.996   8.654
  464    H    ILE  61           HN       ILE  61  67.595   9.483   5.226
  465    HA   ILE  61           HA       ILE  61  68.779   9.255   2.630
  466    HB   ILE  61           HB       ILE  61  66.346  10.728   3.689
  467   1HG1  ILE  61          HG12      ILE  61  66.242   8.207   2.087
  468   2HG1  ILE  61          HG11      ILE  61  66.776   8.084   3.764
  469   1HG2  ILE  61          HG21      ILE  61  67.470  11.211   1.264
  470   2HG2  ILE  61          HG23      ILE  61  66.465   9.817   0.867
  471   3HG2  ILE  61          HG22      ILE  61  65.730  11.266   1.551
  472   1HD1  ILE  61          HD11      ILE  61  64.278   9.609   3.032
  473   2HD1  ILE  61          HD13      ILE  61  64.238   7.866   3.297
  474   3HD1  ILE  61          HD12      ILE  61  64.739   8.945   4.599
  475    H    ASP  62           HN       ASP  62  68.186  12.090   4.723
  476    HA   ASP  62           HA       ASP  62  69.156  14.044   2.830
  477   1HB   ASP  62           HB2      ASP  62  67.988  13.901   5.419
  478   2HB   ASP  62           HB1      ASP  62  69.476  14.834   5.581
  479    H    GLU  63           HN       GLU  63  70.788  11.644   4.563
  480    HA   GLU  63           HA       GLU  63  73.342  13.222   4.520
  481   1HB   GLU  63           HB2      GLU  63  72.426  10.883   6.225
  482   2HB   GLU  63           HB1      GLU  63  74.026  11.622   6.317
  483   1HG   GLU  63           HG2      GLU  63  72.590  13.848   6.594
  484   2HG   GLU  63           HG1      GLU  63  71.384  12.709   7.194
  485    H    VAL  64           HN       VAL  64  71.646  10.488   3.279
  486    HA   VAL  64           HA       VAL  64  74.193   9.388   2.131
  487    HB   VAL  64           HB       VAL  64  72.708   8.058   3.778
  488   1HG1  VAL  64          HG11      VAL  64  70.576   8.775   2.624
  489   2HG1  VAL  64          HG13      VAL  64  71.021   7.712   1.289
  490   3HG1  VAL  64          HG12      VAL  64  70.717   7.038   2.890
  491   1HG2  VAL  64          HG21      VAL  64  74.154   7.302   1.433
  492   2HG2  VAL  64          HG23      VAL  64  73.890   6.355   2.897
  493   3HG2  VAL  64          HG22      VAL  64  72.745   6.249   1.561
  494    H    ASP  65           HN       ASP  65  70.834  10.282   1.499
  495    HA   ASP  65           HA       ASP  65  71.262   9.874  -1.433
  496   1HB   ASP  65           HB2      ASP  65  69.319   8.891  -0.024
  497   2HB   ASP  65           HB1      ASP  65  68.678  10.533  -0.019
  498    H    GLU  66           HN       GLU  66  72.514  12.143  -0.176
  499    HA   GLU  66           HA       GLU  66  70.851  14.513  -0.507
  500   1HB   GLU  66           HB2      GLU  66  72.901  15.654   0.059
  501   2HB   GLU  66           HB1      GLU  66  72.855  14.176   1.021
  502   1HG   GLU  66           HG2      GLU  66  74.288  13.047  -0.646
  503   2HG   GLU  66           HG1      GLU  66  74.346  14.532  -1.596
  504    H    ASP  67           HN       ASP  67  72.066  12.408  -2.754
  505    HA   ASP  67           HA       ASP  67  72.499  14.579  -4.782
  506   1HB   ASP  67           HB2      ASP  67  73.749  11.899  -4.252
  507   2HB   ASP  67           HB1      ASP  67  73.738  12.527  -5.901
  508    H    GLY  68           HN       GLY  68  70.730  11.700  -3.917
  509   1HA   GLY  68           HA2      GLY  68  69.698  11.208  -6.606
  510   2HA   GLY  68           HA1      GLY  68  69.143  10.426  -5.125
  511    H    SER  69           HN       SER  69  69.174  13.693  -4.533
  512    HA   SER  69           HA       SER  69  67.457  15.312  -4.395
  513   1HB   SER  69           HB2      SER  69  67.428  14.094  -6.977
  514   2HB   SER  69           HB1      SER  69  65.755  14.337  -6.487
  515    HG   SER  69           HG       SER  69  67.576  16.141  -7.288
  516    H    GLY  70           HN       GLY  70  67.226  12.606  -3.045
  517   1HA   GLY  70           HA2      GLY  70  65.534  12.001  -1.431
  518   2HA   GLY  70           HA1      GLY  70  64.330  12.816  -2.430
  519    H    THR  71           HN       THR  71  66.665  10.658  -3.877
  520    HA   THR  71           HA       THR  71  64.585   8.514  -4.075
  521    HB   THR  71           HB       THR  71  64.958   8.426  -6.483
  522    HG1  THR  71           HG1      THR  71  66.937  10.343  -5.867
  523   1HG2  THR  71          HG22      THR  71  63.563  10.356  -5.260
  524   2HG2  THR  71          HG21      THR  71  64.755  11.372  -6.071
  525   3HG2  THR  71          HG23      THR  71  63.725  10.294  -7.014
  526    H    VAL  72           HN       VAL  72  65.477   6.499  -3.760
  527    HA   VAL  72           HA       VAL  72  68.462   6.310  -3.699
  528    HB   VAL  72           HB       VAL  72  67.768   4.153  -2.365
  529   1HG1  VAL  72          HG12      VAL  72  67.643   7.022  -1.496
  530   2HG1  VAL  72          HG11      VAL  72  67.345   5.732  -0.330
  531   3HG1  VAL  72          HG13      VAL  72  68.892   5.813  -1.178
  532   1HG2  VAL  72          HG22      VAL  72  65.275   4.756  -3.105
  533   2HG2  VAL  72          HG21      VAL  72  65.612   4.024  -1.537
  534   3HG2  VAL  72          HG23      VAL  72  65.347   5.765  -1.659
  535    H    ASP  73           HN       ASP  73  69.499   4.609  -4.767
  536    HA   ASP  73           HA       ASP  73  67.825   3.092  -6.739
  537   1HB   ASP  73           HB2      ASP  73  70.044   3.059  -8.004
  538   2HB   ASP  73           HB1      ASP  73  69.314   4.654  -7.815
  539    H    PHE  74           HN       PHE  74  69.353   1.039  -7.437
  540    HA   PHE  74           HA       PHE  74  69.362  -0.752  -5.229
  541   1HB   PHE  74           HB2      PHE  74  69.458  -1.036  -7.859
  542   2HB   PHE  74           HB1      PHE  74  71.200  -1.079  -7.586
  543    HD1  PHE  74           HD2      PHE  74  68.012  -2.582  -6.310
  544    HD2  PHE  74           HD1      PHE  74  72.224  -3.090  -6.975
  545    HE1  PHE  74           HE2      PHE  74  67.843  -4.944  -5.575
  546    HE2  PHE  74           HE1      PHE  74  72.056  -5.453  -6.239
  547    HZ   PHE  74           HZ       PHE  74  69.865  -6.381  -5.539
  548    H    ASP  75           HN       ASP  75  71.636   1.667  -6.157
  549    HA   ASP  75           HA       ASP  75  73.925   0.432  -4.770
  550   1HB   ASP  75           HB2      ASP  75  73.611   2.178  -6.847
  551   2HB   ASP  75           HB1      ASP  75  73.939   3.298  -5.524
  552    H    GLU  76           HN       GLU  76  71.715   3.204  -4.274
  553    HA   GLU  76           HA       GLU  76  72.899   3.900  -1.694
  554   1HB   GLU  76           HB2      GLU  76  70.264   4.682  -2.986
  555   2HB   GLU  76           HB1      GLU  76  71.086   5.548  -1.687
  556   1HG   GLU  76           HG2      GLU  76  72.458   5.027  -4.322
  557   2HG   GLU  76           HG1      GLU  76  71.407   6.426  -4.102
  558    H    PHE  77           HN       PHE  77  69.792   2.443  -2.739
  559    HA   PHE  77           HA       PHE  77  68.538   1.990  -0.307
  560   1HB   PHE  77           HB2      PHE  77  67.547   1.379  -2.416
  561   2HB   PHE  77           HB1      PHE  77  68.846   0.236  -2.759
  562    HD1  PHE  77           HD2      PHE  77  66.640   0.905   0.208
  563    HD2  PHE  77           HD1      PHE  77  68.130  -1.972  -2.612
  564    HE1  PHE  77           HE2      PHE  77  65.373  -0.885   1.365
  565    HE2  PHE  77           HE1      PHE  77  66.862  -3.763  -1.454
  566    HZ   PHE  77           HZ       PHE  77  65.484  -3.219   0.534
  567    H    LEU  78           HN       LEU  78  70.899  -0.248  -1.828
  568    HA   LEU  78           HA       LEU  78  71.065  -2.171   0.214
  569   1HB   LEU  78           HB2      LEU  78  72.826  -1.082  -1.931
  570   2HB   LEU  78           HB1      LEU  78  73.596  -2.104  -0.717
  571    HG   LEU  78           HG       LEU  78  72.766  -3.417  -2.664
  572   1HD1  LEU  78          HD12      LEU  78  72.509  -3.979   0.035
  573   2HD1  LEU  78          HD11      LEU  78  70.901  -4.340  -0.595
  574   3HD1  LEU  78          HD13      LEU  78  72.315  -5.147  -1.272
  575   1HD2  LEU  78          HD22      LEU  78  70.755  -1.793  -2.933
  576   2HD2  LEU  78          HD21      LEU  78  70.473  -3.508  -3.228
  577   3HD2  LEU  78          HD23      LEU  78  69.978  -2.784  -1.698
  578    H    VAL  79           HN       VAL  79  73.025   0.810  -0.134
  579    HA   VAL  79           HA       VAL  79  74.645   0.550   2.155
  580    HB   VAL  79           HB       VAL  79  73.361   3.064   1.040
  581   1HG1  VAL  79          HG13      VAL  79  75.114   2.694   3.187
  582   2HG1  VAL  79          HG12      VAL  79  76.158   3.178   1.850
  583   3HG1  VAL  79          HG11      VAL  79  74.813   4.209   2.336
  584   1HG2  VAL  79          HG21      VAL  79  74.992   1.125  -0.258
  585   2HG2  VAL  79          HG23      VAL  79  74.505   2.707  -0.867
  586   3HG2  VAL  79          HG22      VAL  79  76.006   2.537   0.044
  587    H    MET  80           HN       MET  80  71.270   1.585   1.889
  588    HA   MET  80           HA       MET  80  71.074   2.515   4.648
  589   1HB   MET  80           HB2      MET  80  69.399   2.196   2.235
  590   2HB   MET  80           HB1      MET  80  68.521   2.033   3.757
  591   1HG   MET  80           HG2      MET  80  70.066   4.207   4.308
  592   2HG   MET  80           HG1      MET  80  69.820   4.417   2.574
  593   1HE   MET  80           HE2      MET  80  68.291   6.046   1.983
  594   2HE   MET  80           HE1      MET  80  67.485   4.591   1.399
  595   3HE   MET  80           HE3      MET  80  66.548   5.872   2.182
  596    H    MET  81           HN       MET  81  70.290  -0.481   2.900
  597    HA   MET  81           HA       MET  81  68.893  -1.811   5.019
  598   1HB   MET  81           HB2      MET  81  69.878  -2.299   2.375
  599   2HB   MET  81           HB1      MET  81  70.379  -3.645   3.400
  600   1HG   MET  81           HG2      MET  81  68.115  -3.971   2.362
  601   2HG   MET  81           HG1      MET  81  68.095  -4.019   4.125
  602   1HE   MET  81           HE2      MET  81  65.874  -3.650   4.579
  603   2HE   MET  81           HE1      MET  81  64.827  -2.324   4.082
  604   3HE   MET  81           HE3      MET  81  65.280  -3.579   2.921
  605    H    VAL  82           HN       VAL  82  72.215  -2.553   3.888
  606    HA   VAL  82           HA       VAL  82  73.034  -4.071   6.111
  607    HB   VAL  82           HB       VAL  82  75.304  -3.495   5.315
  608   1HG1  VAL  82          HG11      VAL  82  73.072  -4.202   3.491
  609   2HG1  VAL  82          HG13      VAL  82  74.582  -3.732   2.709
  610   3HG1  VAL  82          HG12      VAL  82  74.561  -5.081   3.844
  611   1HG2  VAL  82          HG23      VAL  82  73.787  -1.196   4.154
  612   2HG2  VAL  82          HG22      VAL  82  75.406  -1.233   4.853
  613   3HG2  VAL  82          HG21      VAL  82  75.137  -1.838   3.218
  614    H    ARG  83           HN       ARG  83  72.514  -0.647   5.880
  615    HA   ARG  83           HA       ARG  83  74.139  -0.052   8.288
  616   1HB   ARG  83           HB2      ARG  83  74.065   1.419   6.263
  617   2HB   ARG  83           HB1      ARG  83  72.346   1.689   6.562
  618   1HG   ARG  83           HG2      ARG  83  72.731   2.983   8.441
  619   2HG   ARG  83           HG1      ARG  83  74.260   2.182   8.808
  620   1HD   ARG  83           HD2      ARG  83  75.409   3.779   7.685
  621   2HD   ARG  83           HD1      ARG  83  74.420   3.520   6.235
  622    HE   ARG  83           HE       ARG  83  73.555   5.263   8.514
  623   1HH1  ARG  83          HH21      ARG  83  71.542   4.307   6.436
  624   2HH1  ARG  83          HH22      ARG  83  71.511   5.658   5.353
  625   1HH2  ARG  83          HH11      ARG  83  74.446   7.043   6.580
  626   2HH2  ARG  83          HH12      ARG  83  73.158   7.207   5.433
  627    H    CYS  84           HN       CYS  84  71.032  -1.173   7.620
  628    HA   CYS  84           HA       CYS  84  69.879   0.114  10.068
  629   1HB   CYS  84           HB2      CYS  84  68.958  -0.445   7.397
  630   2HB   CYS  84           HB1      CYS  84  67.935  -1.302   8.551
  631    HG   CYS  84           HG       CYS  84  67.557   1.512   8.026
  632    H    MET  85           HN       MET  85  71.132  -2.821   8.839
  633    HA   MET  85           HA       MET  85  69.920  -4.317  11.138
  634   1HB   MET  85           HB2      MET  85  69.984  -6.282   9.471
  635   2HB   MET  85           HB1      MET  85  68.762  -5.043   9.184
  636   1HG   MET  85           HG2      MET  85  69.751  -4.334   7.261
  637   2HG   MET  85           HG1      MET  85  71.377  -4.504   7.922
  638   1HE   MET  85           HE1      MET  85  71.436  -5.139   5.176
  639   2HE   MET  85           HE3      MET  85  70.778  -6.654   4.542
  640   3HE   MET  85           HE2      MET  85  69.693  -5.366   5.056
  641    H    LYS  86           HN       LYS  86  71.277  -6.600  11.130
  642    HA   LYS  86           HA       LYS  86  73.381  -7.622  11.504
  643   1HB   LYS  86           HB2      LYS  86  73.555  -6.142   9.178
  644   2HB   LYS  86           HB1      LYS  86  74.896  -5.505  10.130
  645   1HG   LYS  86           HG2      LYS  86  74.578  -8.460  10.125
  646   2HG   LYS  86           HG1      LYS  86  75.113  -7.729   8.612
  647   1HD   LYS  86           HD2      LYS  86  77.126  -8.147   9.774
  648   2HD   LYS  86           HD1      LYS  86  76.817  -6.436  10.072
  649   1HE   LYS  86           HE2      LYS  86  76.456  -6.768  12.304
  650   2HE   LYS  86           HE1      LYS  86  75.565  -8.278  12.027
  651   1HZ   LYS  86           HZ1      LYS  86  77.802  -9.202  11.289
  652   2HZ   LYS  86           HZ3      LYS  86  78.492  -7.854  12.052
  653   3HZ   LYS  86           HZ2      LYS  86  77.580  -8.965  12.957
  654    H    ASP  87           HN       ASP  87  74.050  -4.096  11.421
  655    HA   ASP  87           HA       ASP  87  75.868  -4.090  13.613
  656   1HB   ASP  87           HB2      ASP  87  75.075  -2.337  11.744
  657   2HB   ASP  87           HB1      ASP  87  74.091  -1.747  13.084
  658    H    ASP  88           HN       ASP  88  72.513  -2.811  13.664
  659    HA   ASP  88           HA       ASP  88  70.906  -2.837  15.399
  660   1HB   ASP  88           HB2      ASP  88  71.691  -5.302  15.210
  661   2HB   ASP  88           HB1      ASP  88  72.633  -4.968  16.663
  662    H    SER  89           HN       SER  89  73.568  -1.307  15.568
  663    HA   SER  89           HA       SER  89  73.488  -0.829  18.531
  664   1HB   SER  89           HB2      SER  89  75.514  -2.046  17.410
  665   2HB   SER  89           HB1      SER  89  75.929  -0.444  16.805
  666    HG   SER  89           HG       SER  89  75.593   0.166  19.141
   
  No H/Q in entry =         666
  Start of MODEL    6
    1   1H    MET   1           HT2      MET   1  84.648   8.763  -2.540
    2   2H    MET   1           HT1      MET   1  85.535  10.080  -1.935
    3   3H    MET   1           HT3      MET   1  84.898  10.137  -3.507
    4    HA   MET   1           HA       MET   1  86.432   8.579  -4.330
    5   1HB   MET   1           HB2      MET   1  87.140  10.964  -3.617
    6   2HB   MET   1           HB1      MET   1  87.964  10.176  -2.272
    7   1HG   MET   1           HG2      MET   1  88.821   8.630  -4.337
    8   2HG   MET   1           HG1      MET   1  88.637  10.181  -5.157
    9   1HE   MET   1           HE3      MET   1  90.812   9.511  -5.670
   10   2HE   MET   1           HE2      MET   1  91.939  10.763  -5.155
   11   3HE   MET   1           HE1      MET   1  92.115   9.122  -4.539
   12    H    ASP   2           HN       ASP   2  85.997   8.450  -0.872
   13    HA   ASP   2           HA       ASP   2  87.589   5.905  -0.800
   14   1HB   ASP   2           HB2      ASP   2  88.246   6.558   1.466
   15   2HB   ASP   2           HB1      ASP   2  88.631   7.870   0.353
   16    H    ASP   3           HN       ASP   3  84.640   6.427  -1.243
   17    HA   ASP   3           HA       ASP   3  82.952   6.016   0.911
   18   1HB   ASP   3           HB2      ASP   3  81.612   4.653  -0.746
   19   2HB   ASP   3           HB1      ASP   3  82.185   6.196  -1.379
   20    H    ILE   4           HN       ILE   4  82.372   4.248   2.222
   21    HA   ILE   4           HA       ILE   4  84.124   1.819   1.997
   22    HB   ILE   4           HB       ILE   4  84.128   1.780   4.395
   23   1HG1  ILE   4          HG12      ILE   4  82.044   3.985   4.291
   24   2HG1  ILE   4          HG11      ILE   4  81.695   2.292   4.643
   25   1HG2  ILE   4          HG23      ILE   4  85.510   3.573   3.265
   26   2HG2  ILE   4          HG22      ILE   4  84.218   4.712   3.642
   27   3HG2  ILE   4          HG21      ILE   4  85.099   3.916   4.946
   28   1HD1  ILE   4          HD13      ILE   4  83.877   3.354   6.280
   29   2HD1  ILE   4          HD12      ILE   4  82.361   4.223   6.520
   30   3HD1  ILE   4          HD11      ILE   4  82.428   2.479   6.774
   31    H    TYR   5           HN       TYR   5  80.881   3.050   2.178
   32    HA   TYR   5           HA       TYR   5  79.512   0.719   3.138
   33   1HB   TYR   5           HB2      TYR   5  78.701   2.956   1.251
   34   2HB   TYR   5           HB1      TYR   5  77.571   1.849   2.031
   35    HD1  TYR   5           HD1      TYR   5  77.310   1.852   4.506
   36    HD2  TYR   5           HD2      TYR   5  79.753   4.743   2.475
   37    HE1  TYR   5           HE1      TYR   5  77.317   3.274   6.538
   38    HE2  TYR   5           HE2      TYR   5  79.761   6.165   4.508
   39    HH   TYR   5           HH       TYR   5  79.455   5.827   6.987
   40    H    LYS   6           HN       LYS   6  80.993   1.465   0.079
   41    HA   LYS   6           HA       LYS   6  79.511  -0.151  -1.713
   42   1HB   LYS   6           HB2      LYS   6  81.672  -0.178  -2.966
   43   2HB   LYS   6           HB1      LYS   6  81.281   1.426  -2.346
   44   1HG   LYS   6           HG2      LYS   6  83.238   1.458  -1.241
   45   2HG   LYS   6           HG1      LYS   6  82.710   0.064  -0.298
   46   1HD   LYS   6           HD2      LYS   6  83.574  -0.624  -3.022
   47   2HD   LYS   6           HD1      LYS   6  84.856   0.074  -2.032
   48   1HE   LYS   6           HE2      LYS   6  83.743  -1.646  -0.231
   49   2HE   LYS   6           HE1      LYS   6  83.471  -2.532  -1.745
   50   1HZ   LYS   6           HZ1      LYS   6  86.061  -1.238  -1.127
   51   2HZ   LYS   6           HZ3      LYS   6  85.728  -2.831  -0.651
   52   3HZ   LYS   6           HZ2      LYS   6  85.730  -2.423  -2.299
   53    H    ALA   7           HN       ALA   7  81.523  -1.070   0.949
   54    HA   ALA   7           HA       ALA   7  82.225  -3.729  -0.018
   55   1HB   ALA   7           HB3      ALA   7  83.002  -2.006   2.001
   56   2HB   ALA   7           HB2      ALA   7  82.121  -3.252   2.885
   57   3HB   ALA   7           HB1      ALA   7  83.495  -3.695   1.872
   58    H    ALA   8           HN       ALA   8  79.549  -2.318   1.800
   59    HA   ALA   8           HA       ALA   8  78.429  -4.711   2.890
   60   1HB   ALA   8           HB1      ALA   8  77.934  -2.022   2.950
   61   2HB   ALA   8           HB3      ALA   8  76.601  -2.583   1.940
   62   3HB   ALA   8           HB2      ALA   8  76.813  -3.236   3.564
   63    H    VAL   9           HN       VAL   9  77.603  -2.965  -0.131
   64    HA   VAL   9           HA       VAL   9  75.693  -4.830  -1.113
   65    HB   VAL   9           HB       VAL   9  77.647  -3.091  -2.654
   66   1HG1  VAL   9          HG12      VAL   9  75.758  -4.871  -3.591
   67   2HG1  VAL   9          HG11      VAL   9  74.862  -3.354  -3.556
   68   3HG1  VAL   9          HG13      VAL   9  76.357  -3.473  -4.481
   69   1HG2  VAL   9          HG21      VAL   9  75.852  -2.308  -0.658
   70   2HG2  VAL   9          HG23      VAL   9  76.567  -1.261  -1.884
   71   3HG2  VAL   9          HG22      VAL   9  74.989  -1.998  -2.164
   72    H    GLU  10           HN       GLU  10  79.191  -4.562  -1.864
   73    HA   GLU  10           HA       GLU  10  79.394  -6.789  -3.603
   74   1HB   GLU  10           HB2      GLU  10  81.330  -5.593  -1.593
   75   2HB   GLU  10           HB1      GLU  10  81.800  -6.710  -2.875
   76   1HG   GLU  10           HG2      GLU  10  80.797  -5.101  -4.538
   77   2HG   GLU  10           HG1      GLU  10  80.576  -3.959  -3.211
   78    H    GLN  11           HN       GLN  11  79.695  -6.640  -0.045
   79    HA   GLN  11           HA       GLN  11  80.462  -9.287   0.501
   80   1HB   GLN  11           HB2      GLN  11  78.637  -7.314   1.894
   81   2HB   GLN  11           HB1      GLN  11  79.105  -8.843   2.638
   82   1HG   GLN  11           HG2      GLN  11  81.326  -7.250   1.493
   83   2HG   GLN  11           HG1      GLN  11  80.540  -6.553   2.909
   84   1HE2  GLN  11          HE22      GLN  11  81.500  -9.305   5.060
   85   2HE2  GLN  11          HE21      GLN  11  80.222  -8.219   4.793
   86    H    LEU  12           HN       LEU  12  77.368  -8.060  -0.607
   87    HA   LEU  12           HA       LEU  12  75.825 -10.433   0.090
   88   1HB   LEU  12           HB2      LEU  12  75.385  -8.118  -1.825
   89   2HB   LEU  12           HB1      LEU  12  74.144  -9.287  -1.374
   90    HG   LEU  12           HG       LEU  12  75.657  -7.610   0.643
   91   1HD1  LEU  12          HD11      LEU  12  73.486  -6.896  -1.159
   92   2HD1  LEU  12          HD13      LEU  12  72.992  -6.759   0.528
   93   3HD1  LEU  12          HD12      LEU  12  74.400  -5.870  -0.053
   94   1HD2  LEU  12          HD21      LEU  12  74.543  -9.805   1.322
   95   2HD2  LEU  12          HD23      LEU  12  73.987  -8.373   2.190
   96   3HD2  LEU  12          HD22      LEU  12  73.006  -9.055   0.892
   97    H    THR  13           HN       THR  13  74.940 -11.941  -1.524
   98    HA   THR  13           HA       THR  13  76.803 -12.340  -3.839
   99    HB   THR  13           HB       THR  13  75.693 -14.731  -3.558
  100    HG1  THR  13           HG1      THR  13  75.572 -13.915  -0.891
  101   1HG2  THR  13          HG21      THR  13  78.069 -13.577  -2.780
  102   2HG2  THR  13          HG23      THR  13  77.463 -14.241  -1.264
  103   3HG2  THR  13          HG22      THR  13  77.694 -15.296  -2.658
  104    H    GLU  14           HN       GLU  14  75.765 -13.254  -5.811
  105    HA   GLU  14           HA       GLU  14  73.633 -11.757  -6.832
  106   1HB   GLU  14           HB2      GLU  14  75.374 -13.471  -7.840
  107   2HB   GLU  14           HB1      GLU  14  74.050 -14.619  -7.640
  108   1HG   GLU  14           HG2      GLU  14  72.577 -12.943  -8.875
  109   2HG   GLU  14           HG1      GLU  14  74.060 -12.078  -9.280
  110    H    GLU  15           HN       GLU  15  73.459 -15.023  -5.361
  111    HA   GLU  15           HA       GLU  15  70.620 -15.328  -5.664
  112   1HB   GLU  15           HB2      GLU  15  72.818 -16.540  -4.012
  113   2HB   GLU  15           HB1      GLU  15  71.145 -16.986  -3.680
  114   1HG   GLU  15           HG2      GLU  15  72.127 -17.030  -6.514
  115   2HG   GLU  15           HG1      GLU  15  72.549 -18.363  -5.439
  116    H    GLN  16           HN       GLN  16  72.608 -13.820  -3.148
  117    HA   GLN  16           HA       GLN  16  70.333 -13.514  -1.315
  118   1HB   GLN  16           HB2      GLN  16  72.230 -13.708  -0.060
  119   2HB   GLN  16           HB1      GLN  16  73.263 -13.170  -1.380
  120   1HG   GLN  16           HG2      GLN  16  73.382 -11.550   0.431
  121   2HG   GLN  16           HG1      GLN  16  72.531 -10.824  -0.934
  122   1HE2  GLN  16          HE22      GLN  16  69.993  -9.951   1.374
  123   2HE2  GLN  16          HE21      GLN  16  71.185  -9.390   0.303
  124    H    LYS  17           HN       LYS  17  71.808 -11.700  -3.895
  125    HA   LYS  17           HA       LYS  17  70.655  -9.126  -3.002
  126   1HB   LYS  17           HB2      LYS  17  72.428 -10.138  -5.208
  127   2HB   LYS  17           HB1      LYS  17  71.680  -8.547  -5.361
  128   1HG   LYS  17           HG2      LYS  17  72.577  -8.212  -2.907
  129   2HG   LYS  17           HG1      LYS  17  73.692  -9.506  -3.350
  130   1HD   LYS  17           HD2      LYS  17  73.310  -7.184  -5.217
  131   2HD   LYS  17           HD1      LYS  17  74.362  -7.006  -3.812
  132   1HE   LYS  17           HE2      LYS  17  75.950  -7.872  -5.232
  133   2HE   LYS  17           HE1      LYS  17  75.208  -9.424  -4.789
  134   1HZ   LYS  17           HZ1      LYS  17  73.579  -9.025  -6.609
  135   2HZ   LYS  17           HZ3      LYS  17  74.511  -7.697  -7.103
  136   3HZ   LYS  17           HZ2      LYS  17  75.171  -9.262  -7.155
  137    H    ASN  18           HN       ASN  18  70.027 -11.656  -5.398
  138    HA   ASN  18           HA       ASN  18  68.235 -10.378  -7.134
  139   1HB   ASN  18           HB2      ASN  18  67.281 -12.682  -7.372
  140   2HB   ASN  18           HB1      ASN  18  69.045 -12.672  -7.385
  141   1HD2  ASN  18          HD22      ASN  18  68.398 -15.333  -5.003
  142   2HD2  ASN  18          HD21      ASN  18  68.526 -15.064  -6.675
  143    H    GLU  19           HN       GLU  19  67.816 -11.093  -3.760
  144    HA   GLU  19           HA       GLU  19  64.922 -11.147  -3.703
  145   1HB   GLU  19           HB2      GLU  19  66.936 -11.774  -2.009
  146   2HB   GLU  19           HB1      GLU  19  66.500 -10.188  -1.370
  147   1HG   GLU  19           HG2      GLU  19  65.012 -11.496  -0.182
  148   2HG   GLU  19           HG1      GLU  19  64.034 -11.167  -1.613
  149    H    PHE  20           HN       PHE  20  67.357  -8.578  -3.398
  150    HA   PHE  20           HA       PHE  20  65.391  -6.529  -2.686
  151   1HB   PHE  20           HB2      PHE  20  68.317  -6.611  -3.438
  152   2HB   PHE  20           HB1      PHE  20  67.482  -5.085  -3.149
  153    HD1  PHE  20           HD1      PHE  20  65.673  -5.616  -0.970
  154    HD2  PHE  20           HD2      PHE  20  69.660  -7.095  -1.581
  155    HE1  PHE  20           HE1      PHE  20  65.929  -5.938   1.475
  156    HE2  PHE  20           HE2      PHE  20  69.915  -7.416   0.864
  157    HZ   PHE  20           HZ       PHE  20  68.050  -6.839   2.392
  158    H    LYS  21           HN       LYS  21  66.997  -7.646  -5.643
  159    HA   LYS  21           HA       LYS  21  66.424  -5.499  -7.388
  160   1HB   LYS  21           HB2      LYS  21  67.796  -7.580  -7.795
  161   2HB   LYS  21           HB1      LYS  21  66.286  -8.470  -7.990
  162   1HG   LYS  21           HG2      LYS  21  66.060  -7.739 -10.106
  163   2HG   LYS  21           HG1      LYS  21  66.236  -6.062  -9.592
  164   1HD   LYS  21           HD2      LYS  21  68.045  -6.487 -11.101
  165   2HD   LYS  21           HD1      LYS  21  68.745  -6.490  -9.482
  166   1HE   LYS  21           HE2      LYS  21  67.991  -9.133  -9.795
  167   2HE   LYS  21           HE1      LYS  21  68.553  -8.689 -11.420
  168   1HZ   LYS  21           HZ2      LYS  21  70.013  -8.134  -8.889
  169   2HZ   LYS  21           HZ1      LYS  21  70.400  -9.373  -9.985
  170   3HZ   LYS  21           HZ3      LYS  21  70.547  -7.751 -10.456
  171    H    ALA  22           HN       ALA  22  64.446  -8.453  -6.883
  172    HA   ALA  22           HA       ALA  22  62.186  -7.449  -8.381
  173   1HB   ALA  22           HB3      ALA  22  62.845  -9.734  -6.561
  174   2HB   ALA  22           HB2      ALA  22  61.146  -9.426  -6.921
  175   3HB   ALA  22           HB1      ALA  22  62.278  -9.765  -8.231
  176    H    ALA  23           HN       ALA  23  63.388  -6.601  -5.342
  177    HA   ALA  23           HA       ALA  23  60.681  -5.871  -4.294
  178   1HB   ALA  23           HB1      ALA  23  63.226  -6.800  -3.196
  179   2HB   ALA  23           HB3      ALA  23  62.624  -5.373  -2.352
  180   3HB   ALA  23           HB2      ALA  23  61.623  -6.821  -2.462
  181    H    PHE  24           HN       PHE  24  63.499  -4.571  -5.755
  182    HA   PHE  24           HA       PHE  24  62.940  -1.831  -4.699
  183   1HB   PHE  24           HB2      PHE  24  65.217  -2.528  -4.455
  184   2HB   PHE  24           HB1      PHE  24  65.268  -3.170  -6.097
  185    HD1  PHE  24           HD2      PHE  24  65.012  -1.538  -8.049
  186    HD2  PHE  24           HD1      PHE  24  65.764  -0.269  -4.016
  187    HE1  PHE  24           HE2      PHE  24  65.783   0.665  -8.887
  188    HE2  PHE  24           HE1      PHE  24  66.534   1.934  -4.852
  189    HZ   PHE  24           HZ       PHE  24  66.543   2.402  -7.289
  190    H    ASP  25           HN       ASP  25  63.385  -3.639  -7.748
  191    HA   ASP  25           HA       ASP  25  62.922  -1.440  -9.526
  192   1HB   ASP  25           HB2      ASP  25  63.949  -3.612 -10.119
  193   2HB   ASP  25           HB1      ASP  25  62.406  -4.417  -9.831
  194    H    ILE  26           HN       ILE  26  60.762  -3.373  -7.594
  195    HA   ILE  26           HA       ILE  26  58.359  -2.858  -9.168
  196    HB   ILE  26           HB       ILE  26  58.762  -3.733  -6.293
  197   1HG1  ILE  26          HG12      ILE  26  58.705  -5.217  -8.927
  198   2HG1  ILE  26          HG11      ILE  26  59.927  -5.295  -7.659
  199   1HG2  ILE  26          HG22      ILE  26  56.422  -3.040  -7.702
  200   2HG2  ILE  26          HG21      ILE  26  56.458  -4.803  -7.691
  201   3HG2  ILE  26          HG23      ILE  26  56.517  -3.911  -6.171
  202   1HD1  ILE  26          HD12      ILE  26  57.066  -6.251  -7.365
  203   2HD1  ILE  26          HD11      ILE  26  58.454  -7.298  -7.664
  204   3HD1  ILE  26          HD13      ILE  26  58.341  -6.393  -6.155
  205    H    PHE  27           HN       PHE  27  60.263  -0.797  -7.398
  206    HA   PHE  27           HA       PHE  27  57.905   0.886  -6.609
  207   1HB   PHE  27           HB2      PHE  27  60.630   0.550  -5.314
  208   2HB   PHE  27           HB1      PHE  27  59.399   1.691  -4.773
  209    HD1  PHE  27           HD2      PHE  27  60.240  -1.893  -5.142
  210    HD2  PHE  27           HD1      PHE  27  57.426   0.957  -3.590
  211    HE1  PHE  27           HE2      PHE  27  59.149  -3.688  -3.825
  212    HE2  PHE  27           HE1      PHE  27  56.336  -0.838  -2.272
  213    HZ   PHE  27           HZ       PHE  27  57.197  -3.161  -2.390
  214    H    VAL  28           HN       VAL  28  59.999   0.692  -9.003
  215    HA   VAL  28           HA       VAL  28  61.166   3.409  -8.896
  216    HB   VAL  28           HB       VAL  28  61.206   1.128 -10.898
  217   1HG1  VAL  28          HG11      VAL  28  62.264   3.924 -11.018
  218   2HG1  VAL  28          HG13      VAL  28  63.259   2.632 -11.689
  219   3HG1  VAL  28          HG12      VAL  28  61.633   2.907 -12.315
  220   1HG2  VAL  28          HG21      VAL  28  62.415   0.926  -8.652
  221   2HG2  VAL  28          HG23      VAL  28  63.421   0.723 -10.087
  222   3HG2  VAL  28          HG22      VAL  28  63.448   2.247  -9.198
  223    H    LEU  29           HN       LEU  29  58.146   2.749  -9.153
  224    HA   LEU  29           HA       LEU  29  57.042   3.284 -11.643
  225   1HB   LEU  29           HB2      LEU  29  55.230   4.402 -10.289
  226   2HB   LEU  29           HB1      LEU  29  55.742   2.845  -9.636
  227    HG   LEU  29           HG       LEU  29  57.389   5.003  -8.602
  228   1HD1  LEU  29          HD12      LEU  29  55.146   6.179  -9.042
  229   2HD1  LEU  29          HD11      LEU  29  54.477   5.120  -7.801
  230   3HD1  LEU  29          HD13      LEU  29  55.767   6.252  -7.394
  231   1HD2  LEU  29          HD21      LEU  29  56.235   2.515  -7.807
  232   2HD2  LEU  29          HD23      LEU  29  57.447   3.470  -6.953
  233   3HD2  LEU  29          HD22      LEU  29  55.731   3.734  -6.637
  234    H    GLY  30           HN       GLY  30  58.189   4.746 -12.969
  235   1HA   GLY  30           HA2      GLY  30  58.776   6.852 -13.824
  236   2HA   GLY  30           HA1      GLY  30  57.618   7.533 -12.681
  237    H    ALA  31           HN       ALA  31  60.981   6.590 -13.123
  238    HA   ALA  31           HA       ALA  31  61.878   8.626 -11.248
  239   1HB   ALA  31           HB1      ALA  31  60.957   6.612  -9.898
  240   2HB   ALA  31           HB3      ALA  31  62.399   5.761 -10.451
  241   3HB   ALA  31           HB2      ALA  31  62.558   7.215  -9.466
  242    H    GLU  32           HN       GLU  32  62.963   8.954 -13.418
  243    HA   GLU  32           HA       GLU  32  64.918   8.890 -14.730
  244   1HB   GLU  32           HB2      GLU  32  65.635   7.749 -12.065
  245   2HB   GLU  32           HB1      GLU  32  66.806   7.554 -13.369
  246   1HG   GLU  32           HG2      GLU  32  67.485   9.634 -12.722
  247   2HG   GLU  32           HG1      GLU  32  66.122  10.165 -13.709
  248    H    ASP  33           HN       ASP  33  65.068   5.700 -13.100
  249    HA   ASP  33           HA       ASP  33  64.111   4.198 -15.363
  250   1HB   ASP  33           HB2      ASP  33  66.773   5.272 -15.485
  251   2HB   ASP  33           HB1      ASP  33  66.876   3.514 -15.398
  252    H    GLY  34           HN       GLY  34  66.366   4.219 -12.597
  253   1HA   GLY  34           HA2      GLY  34  65.142   1.661 -11.705
  254   2HA   GLY  34           HA1      GLY  34  66.898   1.731 -11.861
  255    H    CYS  35           HN       CYS  35  64.787   4.345 -10.725
  256    HA   CYS  35           HA       CYS  35  66.114   4.113  -8.041
  257   1HB   CYS  35           HB2      CYS  35  65.375   6.492  -9.764
  258   2HB   CYS  35           HB1      CYS  35  65.805   6.654  -8.060
  259    HG   CYS  35           HG       CYS  35  67.759   5.725 -10.305
  260    H    ILE  36           HN       ILE  36  64.754   4.673  -6.218
  261    HA   ILE  36           HA       ILE  36  61.821   4.677  -6.863
  262    HB   ILE  36           HB       ILE  36  61.564   3.382  -4.797
  263   1HG1  ILE  36          HG12      ILE  36  64.579   3.664  -4.574
  264   2HG1  ILE  36          HG11      ILE  36  63.398   4.462  -3.535
  265   1HG2  ILE  36          HG23      ILE  36  62.270   2.291  -7.009
  266   2HG2  ILE  36          HG22      ILE  36  63.890   2.194  -6.320
  267   3HG2  ILE  36          HG21      ILE  36  62.550   1.347  -5.546
  268   1HD1  ILE  36          HD13      ILE  36  63.189   1.500  -3.821
  269   2HD1  ILE  36          HD12      ILE  36  64.522   2.128  -2.853
  270   3HD1  ILE  36          HD11      ILE  36  62.858   2.519  -2.421
  271    H    SER  37           HN       SER  37  60.478   5.829  -5.246
  272    HA   SER  37           HA       SER  37  61.678   8.378  -4.463
  273   1HB   SER  37           HB2      SER  37  59.041   7.117  -4.760
  274   2HB   SER  37           HB1      SER  37  59.125   8.231  -3.398
  275    HG   SER  37           HG       SER  37  59.043   9.771  -4.811
  276    H    THR  38           HN       THR  38  62.271   8.986  -2.387
  277    HA   THR  38           HA       THR  38  62.977   7.143  -0.397
  278    HB   THR  38           HB       THR  38  62.651   9.308   1.074
  279    HG1  THR  38           HG1      THR  38  62.368  11.138  -0.179
  280   1HG2  THR  38          HG22      THR  38  64.485   8.889  -1.268
  281   2HG2  THR  38          HG21      THR  38  64.602  10.367  -0.312
  282   3HG2  THR  38          HG23      THR  38  64.847   8.798   0.455
  283    H    LYS  39           HN       LYS  39  59.849   8.657  -1.010
  284    HA   LYS  39           HA       LYS  39  58.641   7.832   1.509
  285   1HB   LYS  39           HB2      LYS  39  57.844   9.080  -1.085
  286   2HB   LYS  39           HB1      LYS  39  56.563   8.357  -0.110
  287   1HG   LYS  39           HG2      LYS  39  57.023   9.773   1.741
  288   2HG   LYS  39           HG1      LYS  39  58.581  10.264   1.078
  289   1HD   LYS  39           HD2      LYS  39  57.040  11.091  -0.943
  290   2HD   LYS  39           HD1      LYS  39  55.835  11.180   0.344
  291   1HE   LYS  39           HE2      LYS  39  58.064  12.327   1.530
  292   2HE   LYS  39           HE1      LYS  39  58.153  12.913  -0.143
  293   1HZ   LYS  39           HZ1      LYS  39  55.803  13.501  -0.014
  294   2HZ   LYS  39           HZ3      LYS  39  55.746  12.987   1.601
  295   3HZ   LYS  39           HZ2      LYS  39  56.700  14.326   1.171
  296    H    GLU  40           HN       GLU  40  59.268   6.296  -1.538
  297    HA   GLU  40           HA       GLU  40  57.156   4.269  -1.268
  298   1HB   GLU  40           HB2      GLU  40  59.459   4.866  -3.116
  299   2HB   GLU  40           HB1      GLU  40  58.617   3.320  -3.226
  300   1HG   GLU  40           HG2      GLU  40  57.101   5.929  -3.214
  301   2HG   GLU  40           HG1      GLU  40  57.747   5.249  -4.709
  302    H    LEU  41           HN       LEU  41  60.674   4.478  -0.747
  303    HA   LEU  41           HA       LEU  41  61.437   1.854  -0.326
  304   1HB   LEU  41           HB2      LEU  41  62.620   4.170   0.018
  305   2HB   LEU  41           HB1      LEU  41  62.099   3.991   1.694
  306    HG   LEU  41           HG       LEU  41  63.657   1.873   0.189
  307   1HD1  LEU  41          HD13      LEU  41  64.516   4.306   1.657
  308   2HD1  LEU  41          HD12      LEU  41  65.382   2.821   2.052
  309   3HD1  LEU  41          HD11      LEU  41  65.345   3.404   0.388
  310   1HD2  LEU  41          HD23      LEU  41  62.552   2.198   2.945
  311   2HD2  LEU  41          HD22      LEU  41  62.707   0.741   1.963
  312   3HD2  LEU  41          HD21      LEU  41  64.118   1.405   2.787
  313    H    GLY  42           HN       GLY  42  59.623   3.909   1.965
  314   1HA   GLY  42           HA2      GLY  42  59.535   2.312   4.226
  315   2HA   GLY  42           HA1      GLY  42  58.140   3.243   3.676
  316    H    LYS  43           HN       LYS  43  57.514   1.938   1.305
  317    HA   LYS  43           HA       LYS  43  56.146  -0.430   2.288
  318   1HB   LYS  43           HB2      LYS  43  56.573   0.576  -0.545
  319   2HB   LYS  43           HB1      LYS  43  55.270  -0.475   0.013
  320   1HG   LYS  43           HG2      LYS  43  55.745   2.386   0.901
  321   2HG   LYS  43           HG1      LYS  43  54.469   1.839  -0.187
  322   1HD   LYS  43           HD2      LYS  43  53.478   0.485   1.571
  323   2HD   LYS  43           HD1      LYS  43  54.811   0.866   2.662
  324   1HE   LYS  43           HE2      LYS  43  54.185   3.267   2.586
  325   2HE   LYS  43           HE1      LYS  43  52.818   2.862   1.527
  326   1HZ   LYS  43           HZ3      LYS  43  52.302   1.122   3.336
  327   2HZ   LYS  43           HZ2      LYS  43  53.273   2.091   4.338
  328   3HZ   LYS  43           HZ1      LYS  43  51.875   2.738   3.622
  329    H    VAL  44           HN       VAL  44  59.194   0.189   0.735
  330    HA   VAL  44           HA       VAL  44  59.562  -2.531  -0.294
  331    HB   VAL  44           HB       VAL  44  61.136   0.024  -0.058
  332   1HG1  VAL  44          HG11      VAL  44  62.221  -2.724  -0.333
  333   2HG1  VAL  44          HG13      VAL  44  62.831  -1.538  -1.488
  334   3HG1  VAL  44          HG12      VAL  44  63.008  -1.254   0.243
  335   1HG2  VAL  44          HG21      VAL  44  59.513  -0.371  -1.918
  336   2HG2  VAL  44          HG23      VAL  44  61.169  -0.168  -2.492
  337   3HG2  VAL  44          HG22      VAL  44  60.459  -1.780  -2.402
  338    H    MET  45           HN       MET  45  60.437  -0.711   2.611
  339    HA   MET  45           HA       MET  45  62.323  -2.686   3.617
  340   1HB   MET  45           HB2      MET  45  60.939  -0.203   4.550
  341   2HB   MET  45           HB1      MET  45  61.660  -1.250   5.774
  342   1HG   MET  45           HG2      MET  45  63.332  -0.672   3.384
  343   2HG   MET  45           HG1      MET  45  63.063   0.670   4.496
  344   1HE   MET  45           HE3      MET  45  65.655   0.331   4.184
  345   2HE   MET  45           HE2      MET  45  65.367   1.026   5.777
  346   3HE   MET  45           HE1      MET  45  66.542  -0.274   5.590
  347    H    ARG  46           HN       ARG  46  58.885  -1.942   4.236
  348    HA   ARG  46           HA       ARG  46  58.595  -4.045   6.241
  349   1HB   ARG  46           HB2      ARG  46  56.305  -3.304   6.254
  350   2HB   ARG  46           HB1      ARG  46  57.296  -1.864   6.016
  351   1HG   ARG  46           HG2      ARG  46  56.067  -1.455   4.170
  352   2HG   ARG  46           HG1      ARG  46  56.874  -2.842   3.435
  353   1HD   ARG  46           HD2      ARG  46  54.340  -2.969   3.374
  354   2HD   ARG  46           HD1      ARG  46  55.104  -4.340   4.203
  355    HE   ARG  46           HE       ARG  46  54.670  -2.277   6.118
  356   1HH1  ARG  46          HH11      ARG  46  52.138  -2.470   4.273
  357   2HH1  ARG  46          HH12      ARG  46  51.137  -3.479   5.264
  358   1HH2  ARG  46          HH21      ARG  46  53.731  -4.455   7.348
  359   2HH2  ARG  46          HH22      ARG  46  52.040  -4.603   7.005
  360    H    MET  47           HN       MET  47  58.792  -4.061   2.855
  361    HA   MET  47           HA       MET  47  56.885  -6.227   2.350
  362   1HB   MET  47           HB2      MET  47  58.638  -4.397   0.909
  363   2HB   MET  47           HB1      MET  47  58.724  -6.027   0.243
  364   1HG   MET  47           HG2      MET  47  56.004  -5.037   0.899
  365   2HG   MET  47           HG1      MET  47  56.807  -4.249  -0.459
  366   1HE   MET  47           HE3      MET  47  58.158  -5.331  -1.961
  367   2HE   MET  47           HE2      MET  47  58.133  -7.008  -2.500
  368   3HE   MET  47           HE1      MET  47  56.944  -5.871  -3.128
  369    H    LEU  48           HN       LEU  48  60.267  -5.949   3.216
  370    HA   LEU  48           HA       LEU  48  60.755  -8.820   2.593
  371   1HB   LEU  48           HB2      LEU  48  62.246  -6.373   2.614
  372   2HB   LEU  48           HB1      LEU  48  62.992  -7.483   3.766
  373    HG   LEU  48           HG       LEU  48  62.562  -9.206   1.745
  374   1HD1  LEU  48          HD13      LEU  48  63.014  -6.512   0.422
  375   2HD1  LEU  48          HD12      LEU  48  63.057  -8.074  -0.396
  376   3HD1  LEU  48          HD11      LEU  48  61.547  -7.484   0.299
  377   1HD2  LEU  48          HD22      LEU  48  64.837  -7.305   2.283
  378   2HD2  LEU  48          HD21      LEU  48  64.740  -9.033   2.615
  379   3HD2  LEU  48          HD23      LEU  48  64.943  -8.465   0.958
  380    H    GLY  49           HN       GLY  49  60.122  -6.679   5.262
  381   1HA   GLY  49           HA2      GLY  49  59.317  -8.096   7.278
  382   2HA   GLY  49           HA1      GLY  49  60.928  -8.811   7.192
  383    H    GLN  50           HN       GLN  50  62.261  -6.312   6.481
  384    HA   GLN  50           HA       GLN  50  63.008  -5.333   9.012
  385   1HB   GLN  50           HB2      GLN  50  62.983  -4.083   6.251
  386   2HB   GLN  50           HB1      GLN  50  63.823  -3.363   7.625
  387   1HG   GLN  50           HG2      GLN  50  65.580  -4.706   7.217
  388   2HG   GLN  50           HG1      GLN  50  64.560  -6.102   7.560
  389   1HE2  GLN  50          HE22      GLN  50  64.880  -7.143   4.216
  390   2HE2  GLN  50          HE21      GLN  50  64.921  -7.555   5.862
  391    H    ASN  51           HN       ASN  51  61.943  -4.046  10.467
  392    HA   ASN  51           HA       ASN  51  59.762  -2.256   9.448
  393   1HB   ASN  51           HB2      ASN  51  58.545  -2.923  11.559
  394   2HB   ASN  51           HB1      ASN  51  58.781  -4.253  10.425
  395   1HD2  ASN  51          HD22      ASN  51  60.046  -6.007  13.250
  396   2HD2  ASN  51          HD21      ASN  51  58.738  -5.850  12.178
  397    HA   PRO  52           HA       PRO  52  62.856  -0.170  12.301
  398   1HB   PRO  52           HB2      PRO  52  63.832   1.633  10.489
  399   2HB   PRO  52           HB1      PRO  52  64.539   0.021  10.722
  400   1HG   PRO  52           HG2      PRO  52  62.705   0.993   8.593
  401   2HG   PRO  52           HG1      PRO  52  64.069  -0.130   8.483
  402   1HD   PRO  52           HD2      PRO  52  61.450  -0.917   8.530
  403   2HD   PRO  52           HD1      PRO  52  62.799  -1.932   9.084
  404    H    THR  53           HN       THR  53  63.057   2.607  11.942
  405    HA   THR  53           HA       THR  53  60.182   3.446  12.095
  406    HB   THR  53           HB       THR  53  61.685   3.523  14.141
  407    HG1  THR  53           HG1      THR  53  61.076   5.726  14.601
  408   1HG2  THR  53          HG22      THR  53  63.648   4.325  12.601
  409   2HG2  THR  53          HG21      THR  53  62.965   5.928  12.875
  410   3HG2  THR  53          HG23      THR  53  63.522   4.962  14.241
  411    HA   PRO  54           HA       PRO  54  60.909   6.110   8.673
  412   1HB   PRO  54           HB2      PRO  54  59.046   8.049   9.186
  413   2HB   PRO  54           HB1      PRO  54  58.620   6.429   8.600
  414   1HG   PRO  54           HG2      PRO  54  58.483   7.541  11.355
  415   2HG   PRO  54           HG1      PRO  54  57.376   6.436  10.527
  416   1HD   PRO  54           HD2      PRO  54  59.225   5.634  12.373
  417   2HD   PRO  54           HD1      PRO  54  58.605   4.590  11.075
  418    H    GLU  55           HN       GLU  55  60.610   7.716  11.854
  419    HA   GLU  55           HA       GLU  55  61.789  10.198  11.293
  420   1HB   GLU  55           HB2      GLU  55  61.602   8.340  13.627
  421   2HB   GLU  55           HB1      GLU  55  62.702   9.712  13.771
  422   1HG   GLU  55           HG2      GLU  55  60.731  11.149  12.932
  423   2HG   GLU  55           HG1      GLU  55  59.722   9.748  13.293
  424    H    GLU  56           HN       GLU  56  63.271   7.046  11.348
  425    HA   GLU  56           HA       GLU  56  66.018   8.125  11.548
  426   1HB   GLU  56           HB2      GLU  56  64.658   5.450  11.452
  427   2HB   GLU  56           HB1      GLU  56  66.382   5.542  11.089
  428   1HG   GLU  56           HG2      GLU  56  65.588   7.082  13.468
  429   2HG   GLU  56           HG1      GLU  56  65.327   5.343  13.622
  430    H    LEU  57           HN       LEU  57  64.113   6.239   9.162
  431    HA   LEU  57           HA       LEU  57  65.867   6.053   7.039
  432   1HB   LEU  57           HB2      LEU  57  62.928   6.521   7.338
  433   2HB   LEU  57           HB1      LEU  57  63.612   6.613   5.715
  434    HG   LEU  57           HG       LEU  57  64.677   4.322   7.128
  435   1HD1  LEU  57          HD12      LEU  57  62.322   4.694   8.203
  436   2HD1  LEU  57          HD11      LEU  57  61.713   4.132   6.646
  437   3HD1  LEU  57          HD13      LEU  57  62.746   3.085   7.619
  438   1HD2  LEU  57          HD22      LEU  57  62.916   4.614   4.673
  439   2HD2  LEU  57          HD21      LEU  57  64.678   4.641   4.681
  440   3HD2  LEU  57          HD23      LEU  57  63.818   3.165   5.116
  441    H    GLN  58           HN       GLN  58  63.759   8.893   7.665
  442    HA   GLN  58           HA       GLN  58  64.623  10.556   5.571
  443   1HB   GLN  58           HB2      GLN  58  62.993  10.707   7.795
  444   2HB   GLN  58           HB1      GLN  58  64.253  11.883   8.173
  445   1HG   GLN  58           HG2      GLN  58  63.063  11.892   5.424
  446   2HG   GLN  58           HG1      GLN  58  62.138  12.600   6.749
  447   1HE2  GLN  58          HE22      GLN  58  65.433  14.524   5.332
  448   2HE2  GLN  58          HE21      GLN  58  64.984  13.004   4.724
  449    H    GLU  59           HN       GLU  59  66.022  10.272   8.858
  450    HA   GLU  59           HA       GLU  59  68.120  12.166   8.542
  451   1HB   GLU  59           HB2      GLU  59  67.565  11.334  10.704
  452   2HB   GLU  59           HB1      GLU  59  67.731   9.656  10.184
  453   1HG   GLU  59           HG2      GLU  59  69.976   9.659  10.501
  454   2HG   GLU  59           HG1      GLU  59  70.163  11.259   9.782
  455    H    MET  60           HN       MET  60  67.911   8.743   7.630
  456    HA   MET  60           HA       MET  60  70.720   8.483   6.919
  457   1HB   MET  60           HB2      MET  60  68.247   6.920   6.970
  458   2HB   MET  60           HB1      MET  60  69.247   6.542   5.567
  459   1HG   MET  60           HG2      MET  60  71.212   6.422   7.247
  460   2HG   MET  60           HG1      MET  60  69.964   6.335   8.489
  461   1HE   MET  60           HE3      MET  60  68.153   5.089   8.499
  462   2HE   MET  60           HE2      MET  60  67.624   3.915   7.297
  463   3HE   MET  60           HE1      MET  60  68.510   3.371   8.719
  464    H    ILE  61           HN       ILE  61  67.703   8.925   5.040
  465    HA   ILE  61           HA       ILE  61  68.786   8.904   2.435
  466    HB   ILE  61           HB       ILE  61  66.527  10.477   3.711
  467   1HG1  ILE  61          HG12      ILE  61  66.186   8.144   1.867
  468   2HG1  ILE  61          HG11      ILE  61  66.711   7.824   3.519
  469   1HG2  ILE  61          HG22      ILE  61  67.537  11.258   1.387
  470   2HG2  ILE  61          HG21      ILE  61  66.647   9.863   0.778
  471   3HG2  ILE  61          HG23      ILE  61  65.792  11.160   1.615
  472   1HD1  ILE  61          HD11      ILE  61  64.377   9.654   3.025
  473   2HD1  ILE  61          HD13      ILE  61  64.144   7.906   2.986
  474   3HD1  ILE  61          HD12      ILE  61  64.745   8.683   4.451
  475    H    ASP  62           HN       ASP  62  68.923  11.394   4.914
  476    HA   ASP  62           HA       ASP  62  69.598  13.646   3.293
  477   1HB   ASP  62           HB2      ASP  62  68.940  13.574   5.728
  478   2HB   ASP  62           HB1      ASP  62  70.553  12.955   6.088
  479    H    GLU  63           HN       GLU  63  71.849  11.652   5.252
  480    HA   GLU  63           HA       GLU  63  74.153  12.621   3.727
  481   1HB   GLU  63           HB2      GLU  63  73.704  10.587   5.927
  482   2HB   GLU  63           HB1      GLU  63  75.302  10.961   5.283
  483   1HG   GLU  63           HG2      GLU  63  74.227  13.468   5.763
  484   2HG   GLU  63           HG1      GLU  63  73.630  12.514   7.121
  485    H    VAL  64           HN       VAL  64  71.889  10.067   3.365
  486    HA   VAL  64           HA       VAL  64  73.737   8.244   1.964
  487    HB   VAL  64           HB       VAL  64  70.763   8.315   2.541
  488   1HG1  VAL  64          HG11      VAL  64  72.143   6.875   0.478
  489   2HG1  VAL  64          HG13      VAL  64  71.615   5.727   1.708
  490   3HG1  VAL  64          HG12      VAL  64  70.439   6.784   0.925
  491   1HG2  VAL  64          HG23      VAL  64  72.568   7.804   4.329
  492   2HG2  VAL  64          HG22      VAL  64  71.245   6.650   4.157
  493   3HG2  VAL  64          HG21      VAL  64  72.821   6.298   3.447
  494    H    ASP  65           HN       ASP  65  70.904  10.265   1.104
  495    HA   ASP  65           HA       ASP  65  71.455   9.848  -1.778
  496   1HB   ASP  65           HB2      ASP  65  69.171   9.833  -0.551
  497   2HB   ASP  65           HB1      ASP  65  69.332  11.590  -0.518
  498    H    GLU  66           HN       GLU  66  73.579  11.070  -1.557
  499    HA   GLU  66           HA       GLU  66  73.790  13.799  -0.817
  500   1HB   GLU  66           HB2      GLU  66  75.219  12.204  -2.970
  501   2HB   GLU  66           HB1      GLU  66  75.808  13.709  -2.264
  502   1HG   GLU  66           HG2      GLU  66  75.088  11.445  -0.437
  503   2HG   GLU  66           HG1      GLU  66  76.624  11.386  -1.304
  504    H    ASP  67           HN       ASP  67  72.564  12.302  -3.762
  505    HA   ASP  67           HA       ASP  67  72.643  14.490  -5.556
  506   1HB   ASP  67           HB2      ASP  67  71.241  11.946  -5.190
  507   2HB   ASP  67           HB1      ASP  67  70.254  13.138  -6.037
  508    H    GLY  68           HN       GLY  68  70.384  13.772  -2.920
  509   1HA   GLY  68           HA2      GLY  68  68.908  15.250  -1.815
  510   2HA   GLY  68           HA1      GLY  68  69.492  16.545  -2.861
  511    H    SER  69           HN       SER  69  68.370  13.580  -4.291
  512    HA   SER  69           HA       SER  69  66.113  15.074  -5.528
  513   1HB   SER  69           HB2      SER  69  67.492  12.433  -6.095
  514   2HB   SER  69           HB1      SER  69  66.146  13.056  -7.044
  515    HG   SER  69           HG       SER  69  67.392  14.768  -7.671
  516    H    GLY  70           HN       GLY  70  66.409  13.489  -2.740
  517   1HA   GLY  70           HA2      GLY  70  64.953  12.252  -1.377
  518   2HA   GLY  70           HA1      GLY  70  63.665  12.914  -2.383
  519    H    THR  71           HN       THR  71  66.142  11.061  -3.944
  520    HA   THR  71           HA       THR  71  64.348   8.663  -4.008
  521    HB   THR  71           HB       THR  71  64.945   8.588  -6.484
  522    HG1  THR  71           HG1      THR  71  65.815  11.212  -5.857
  523   1HG2  THR  71          HG21      THR  71  62.808   9.571  -5.410
  524   2HG2  THR  71          HG23      THR  71  63.521  11.144  -5.762
  525   3HG2  THR  71          HG22      THR  71  63.167  10.022  -7.076
  526    H    VAL  72           HN       VAL  72  65.472   6.700  -4.029
  527    HA   VAL  72           HA       VAL  72  68.456   6.889  -3.846
  528    HB   VAL  72           HB       VAL  72  68.012   4.589  -2.670
  529   1HG1  VAL  72          HG12      VAL  72  67.510   7.356  -1.651
  530   2HG1  VAL  72          HG11      VAL  72  67.248   5.986  -0.571
  531   3HG1  VAL  72          HG13      VAL  72  68.839   6.251  -1.287
  532   1HG2  VAL  72          HG22      VAL  72  65.499   4.866  -3.483
  533   2HG2  VAL  72          HG21      VAL  72  65.864   4.128  -1.923
  534   3HG2  VAL  72          HG23      VAL  72  65.361   5.817  -2.004
  535    H    ASP  73           HN       ASP  73  69.634   4.982  -4.658
  536    HA   ASP  73           HA       ASP  73  68.259   3.689  -6.990
  537   1HB   ASP  73           HB2      ASP  73  70.254   5.481  -7.118
  538   2HB   ASP  73           HB1      ASP  73  71.228   4.037  -6.838
  539    H    PHE  74           HN       PHE  74  70.077   1.715  -7.558
  540    HA   PHE  74           HA       PHE  74  69.636  -0.211  -5.458
  541   1HB   PHE  74           HB2      PHE  74  70.045  -0.377  -8.071
  542   2HB   PHE  74           HB1      PHE  74  71.736  -0.507  -7.588
  543    HD1  PHE  74           HD2      PHE  74  72.271  -2.235  -5.694
  544    HD2  PHE  74           HD1      PHE  74  68.691  -2.288  -8.068
  545    HE1  PHE  74           HE2      PHE  74  71.924  -4.623  -5.118
  546    HE2  PHE  74           HE1      PHE  74  68.344  -4.676  -7.491
  547    HZ   PHE  74           HZ       PHE  74  69.961  -5.843  -6.017
  548    H    ASP  75           HN       ASP  75  72.007   2.217  -5.890
  549    HA   ASP  75           HA       ASP  75  74.124   0.823  -4.378
  550   1HB   ASP  75           HB2      ASP  75  73.962   2.860  -6.268
  551   2HB   ASP  75           HB1      ASP  75  74.349   3.717  -4.775
  552    H    GLU  76           HN       GLU  76  71.965   3.639  -3.902
  553    HA   GLU  76           HA       GLU  76  72.813   4.104  -1.165
  554   1HB   GLU  76           HB2      GLU  76  70.314   4.946  -2.671
  555   2HB   GLU  76           HB1      GLU  76  70.957   5.709  -1.216
  556   1HG   GLU  76           HG2      GLU  76  73.151   5.930  -2.661
  557   2HG   GLU  76           HG1      GLU  76  72.033   5.766  -4.016
  558    H    PHE  77           HN       PHE  77  69.818   2.722  -2.591
  559    HA   PHE  77           HA       PHE  77  68.329   2.104  -0.360
  560   1HB   PHE  77           HB2      PHE  77  67.715   1.576  -2.674
  561   2HB   PHE  77           HB1      PHE  77  68.965   0.333  -2.742
  562    HD1  PHE  77           HD1      PHE  77  66.340   1.275  -0.225
  563    HD2  PHE  77           HD2      PHE  77  68.055  -1.807  -2.677
  564    HE1  PHE  77           HE1      PHE  77  64.757  -0.373   0.740
  565    HE2  PHE  77           HE2      PHE  77  66.472  -3.454  -1.712
  566    HZ   PHE  77           HZ       PHE  77  64.824  -2.738  -0.004
  567    H    LEU  78           HN       LEU  78  70.693  -0.244  -1.705
  568    HA   LEU  78           HA       LEU  78  70.696  -2.108   0.370
  569   1HB   LEU  78           HB2      LEU  78  72.563  -1.138  -1.712
  570   2HB   LEU  78           HB1      LEU  78  73.320  -2.035  -0.394
  571    HG   LEU  78           HG       LEU  78  71.232  -3.657  -0.823
  572   1HD1  LEU  78          HD11      LEU  78  70.974  -1.818  -2.912
  573   2HD1  LEU  78          HD13      LEU  78  71.724  -3.227  -3.661
  574   3HD1  LEU  78          HD12      LEU  78  70.189  -3.394  -2.807
  575   1HD2  LEU  78          HD22      LEU  78  73.963  -3.705  -1.310
  576   2HD2  LEU  78          HD21      LEU  78  72.871  -5.081  -1.475
  577   3HD2  LEU  78          HD23      LEU  78  73.272  -4.099  -2.884
  578    H    VAL  79           HN       VAL  79  72.774   0.808   0.144
  579    HA   VAL  79           HA       VAL  79  74.210   0.516   2.549
  580    HB   VAL  79           HB       VAL  79  73.080   3.057   1.331
  581   1HG1  VAL  79          HG13      VAL  79  75.439   2.445   3.124
  582   2HG1  VAL  79          HG12      VAL  79  75.321   3.942   2.198
  583   3HG1  VAL  79          HG11      VAL  79  74.111   3.565   3.424
  584   1HG2  VAL  79          HG23      VAL  79  74.623   1.120   0.067
  585   2HG2  VAL  79          HG22      VAL  79  74.501   2.812  -0.416
  586   3HG2  VAL  79          HG21      VAL  79  75.818   2.286   0.632
  587    H    MET  80           HN       MET  80  71.096   2.228   2.064
  588    HA   MET  80           HA       MET  80  70.606   3.029   4.715
  589   1HB   MET  80           HB2      MET  80  68.936   2.216   2.353
  590   2HB   MET  80           HB1      MET  80  68.138   2.587   3.882
  591   1HG   MET  80           HG2      MET  80  68.632   4.813   3.754
  592   2HG   MET  80           HG1      MET  80  70.210   4.524   3.023
  593   1HE   MET  80           HE1      MET  80  67.928   6.444   2.829
  594   2HE   MET  80           HE3      MET  80  67.964   6.953   1.136
  595   3HE   MET  80           HE2      MET  80  66.588   6.046   1.758
  596    H    MET  81           HN       MET  81  69.692  -0.066   3.156
  597    HA   MET  81           HA       MET  81  68.573  -1.211   5.570
  598   1HB   MET  81           HB2      MET  81  68.882  -1.802   2.788
  599   2HB   MET  81           HB1      MET  81  69.477  -3.187   3.705
  600   1HG   MET  81           HG2      MET  81  66.815  -1.852   4.252
  601   2HG   MET  81           HG1      MET  81  66.998  -3.253   3.195
  602   1HE   MET  81           HE3      MET  81  66.832  -5.481   3.852
  603   2HE   MET  81           HE2      MET  81  68.571  -5.390   4.114
  604   3HE   MET  81           HE1      MET  81  67.553  -6.206   5.296
  605    H    VAL  82           HN       VAL  82  71.738  -1.459   3.940
  606    HA   VAL  82           HA       VAL  82  72.959  -3.474   5.463
  607    HB   VAL  82           HB       VAL  82  73.929  -0.897   4.216
  608   1HG1  VAL  82          HG11      VAL  82  75.422  -1.531   6.126
  609   2HG1  VAL  82          HG13      VAL  82  75.664  -3.103   5.365
  610   3HG1  VAL  82          HG12      VAL  82  76.221  -1.637   4.557
  611   1HG2  VAL  82          HG23      VAL  82  73.140  -3.303   3.141
  612   2HG2  VAL  82          HG22      VAL  82  74.240  -2.170   2.357
  613   3HG2  VAL  82          HG21      VAL  82  74.884  -3.525   3.284
  614    H    ARG  83           HN       ARG  83  72.363  -0.086   6.323
  615    HA   ARG  83           HA       ARG  83  73.965  -0.107   8.742
  616   1HB   ARG  83           HB2      ARG  83  72.973   1.806   7.203
  617   2HB   ARG  83           HB1      ARG  83  71.590   1.675   8.291
  618   1HG   ARG  83           HG2      ARG  83  72.729   2.556  10.060
  619   2HG   ARG  83           HG1      ARG  83  74.238   1.758   9.614
  620   1HD   ARG  83           HD2      ARG  83  74.884   3.872   8.999
  621   2HD   ARG  83           HD1      ARG  83  73.928   3.542   7.540
  622    HE   ARG  83           HE       ARG  83  71.996   4.625   8.673
  623   1HH1  ARG  83          HH11      ARG  83  72.105   4.951  11.340
  624   2HH1  ARG  83          HH12      ARG  83  73.023   6.381  11.678
  625   1HH2  ARG  83          HH21      ARG  83  74.495   6.496   8.541
  626   2HH2  ARG  83          HH22      ARG  83  74.377   7.255  10.093
  627    H    CYS  84           HN       CYS  84  70.435  -0.332   8.143
  628    HA   CYS  84           HA       CYS  84  69.586  -0.645  10.824
  629   1HB   CYS  84           HB2      CYS  84  68.310  -0.361   8.578
  630   2HB   CYS  84           HB1      CYS  84  68.395  -2.119   8.473
  631    HG   CYS  84           HG       CYS  84  67.312  -1.800  11.102
  632    H    MET  85           HN       MET  85  71.090  -2.947   8.627
  633    HA   MET  85           HA       MET  85  70.723  -5.118  10.659
  634   1HB   MET  85           HB2      MET  85  71.054  -6.619   8.773
  635   2HB   MET  85           HB1      MET  85  69.863  -5.403   8.310
  636   1HG   MET  85           HG2      MET  85  71.160  -4.848   6.559
  637   2HG   MET  85           HG1      MET  85  72.405  -4.315   7.690
  638   1HE   MET  85           HE3      MET  85  70.810  -7.207   5.790
  639   2HE   MET  85           HE2      MET  85  71.878  -6.324   4.702
  640   3HE   MET  85           HE1      MET  85  72.228  -8.005   5.097
  641    H    LYS  86           HN       LYS  86  72.642  -3.464  11.524
  642    HA   LYS  86           HA       LYS  86  75.264  -4.376  10.435
  643   1HB   LYS  86           HB2      LYS  86  76.126  -2.477  11.704
  644   2HB   LYS  86           HB1      LYS  86  74.717  -1.950  10.785
  645   1HG   LYS  86           HG2      LYS  86  73.465  -2.718  13.030
  646   2HG   LYS  86           HG1      LYS  86  75.035  -2.311  13.726
  647   1HD   LYS  86           HD2      LYS  86  74.744  -0.149  12.188
  648   2HD   LYS  86           HD1      LYS  86  73.035  -0.537  12.392
  649   1HE   LYS  86           HE2      LYS  86  73.974  -0.825  14.964
  650   2HE   LYS  86           HE1      LYS  86  74.949   0.530  14.361
  651   1HZ   LYS  86           HZ1      LYS  86  72.049   0.373  13.822
  652   2HZ   LYS  86           HZ3      LYS  86  72.626   1.055  15.264
  653   3HZ   LYS  86           HZ2      LYS  86  73.066   1.733  13.769
  654    H    ASP  87           HN       ASP  87  73.962  -6.432  11.751
  655    HA   ASP  87           HA       ASP  87  74.156  -6.735  14.514
  656   1HB   ASP  87           HB2      ASP  87  74.564  -9.154  13.932
  657   2HB   ASP  87           HB1      ASP  87  73.248  -8.420  13.015
  658    H    ASP  88           HN       ASP  88  75.834  -6.937  15.969
  659    HA   ASP  88           HA       ASP  88  78.548  -7.659  15.113
  660   1HB   ASP  88           HB2      ASP  88  77.817  -5.060  14.769
  661   2HB   ASP  88           HB1      ASP  88  78.416  -5.000  16.427
  662    H    SER  89           HN       SER  89  77.342  -9.168  16.863
  663    HA   SER  89           HA       SER  89  78.735  -8.762  19.378
  664   1HB   SER  89           HB2      SER  89  76.712  -8.375  20.738
  665   2HB   SER  89           HB1      SER  89  76.899  -7.101  19.537
  666    HG   SER  89           HG       SER  89  75.207  -9.379  19.421
   
  No H/Q in entry =         666
  Start of MODEL    7
    1   1H    MET   1           HT3      MET   1  82.793   8.200  -2.351
    2   2H    MET   1           HT2      MET   1  82.121   8.117  -3.909
    3   3H    MET   1           HT1      MET   1  82.102   9.583  -3.048
    4    HA   MET   1           HA       MET   1  80.462   8.849  -1.567
    5   1HB   MET   1           HB2      MET   1  78.709   8.192  -3.147
    6   2HB   MET   1           HB1      MET   1  79.788   9.352  -3.923
    7   1HG   MET   1           HG2      MET   1  80.792   6.665  -4.285
    8   2HG   MET   1           HG1      MET   1  79.124   6.772  -4.848
    9   1HE   MET   1           HE3      MET   1  78.265   7.696  -6.496
   10   2HE   MET   1           HE2      MET   1  78.938   8.681  -7.792
   11   3HE   MET   1           HE1      MET   1  79.311   6.960  -7.719
   12    H    ASP   2           HN       ASP   2  82.332   6.307  -2.986
   13    HA   ASP   2           HA       ASP   2  81.015   4.333  -1.149
   14   1HB   ASP   2           HB2      ASP   2  81.163   4.391  -3.982
   15   2HB   ASP   2           HB1      ASP   2  82.257   3.114  -3.450
   16    H    ASP   3           HN       ASP   3  82.579   4.227   0.475
   17    HA   ASP   3           HA       ASP   3  85.341   3.455  -0.393
   18   1HB   ASP   3           HB2      ASP   3  84.355   5.638   1.402
   19   2HB   ASP   3           HB1      ASP   3  85.881   4.855   1.814
   20    H    ILE   4           HN       ILE   4  83.012   3.547   2.313
   21    HA   ILE   4           HA       ILE   4  84.324   1.087   3.423
   22    HB   ILE   4           HB       ILE   4  83.570   1.872   5.563
   23   1HG1  ILE   4          HG12      ILE   4  81.908   3.844   3.963
   24   2HG1  ILE   4          HG11      ILE   4  81.305   2.529   4.975
   25   1HG2  ILE   4          HG21      ILE   4  85.456   3.152   4.311
   26   2HG2  ILE   4          HG23      ILE   4  84.265   4.443   4.151
   27   3HG2  ILE   4          HG22      ILE   4  84.762   3.895   5.752
   28   1HD1  ILE   4          HD12      ILE   4  83.026   4.761   6.072
   29   2HD1  ILE   4          HD11      ILE   4  81.264   4.856   6.031
   30   3HD1  ILE   4          HD13      ILE   4  82.057   3.595   6.975
   31    H    TYR   5           HN       TYR   5  81.190   2.611   2.683
   32    HA   TYR   5           HA       TYR   5  79.525   0.441   3.540
   33   1HB   TYR   5           HB2      TYR   5  79.137   2.549   1.388
   34   2HB   TYR   5           HB1      TYR   5  77.848   1.624   2.159
   35    HD1  TYR   5           HD2      TYR   5  77.488   1.850   4.655
   36    HD2  TYR   5           HD1      TYR   5  80.077   4.467   2.441
   37    HE1  TYR   5           HE2      TYR   5  77.418   3.490   6.514
   38    HE2  TYR   5           HE1      TYR   5  80.006   6.108   4.300
   39    HH   TYR   5           HH       TYR   5  79.128   5.436   7.312
   40    H    LYS   6           HN       LYS   6  81.549   0.850   0.749
   41    HA   LYS   6           HA       LYS   6  80.262  -0.721  -1.210
   42   1HB   LYS   6           HB2      LYS   6  82.596   0.611  -0.976
   43   2HB   LYS   6           HB1      LYS   6  83.196  -1.037  -0.783
   44   1HG   LYS   6           HG2      LYS   6  81.333  -0.289  -3.038
   45   2HG   LYS   6           HG1      LYS   6  83.082  -0.110  -3.185
   46   1HD   LYS   6           HD2      LYS   6  82.373  -2.707  -2.080
   47   2HD   LYS   6           HD1      LYS   6  81.613  -2.445  -3.651
   48   1HE   LYS   6           HE2      LYS   6  83.712  -2.085  -4.727
   49   2HE   LYS   6           HE1      LYS   6  84.557  -1.898  -3.177
   50   1HZ   LYS   6           HZ1      LYS   6  83.083  -4.361  -3.925
   51   2HZ   LYS   6           HZ3      LYS   6  84.741  -4.161  -4.228
   52   3HZ   LYS   6           HZ2      LYS   6  84.162  -4.148  -2.631
   53    H    ALA   7           HN       ALA   7  82.164  -1.727   1.617
   54    HA   ALA   7           HA       ALA   7  82.332  -4.522   0.962
   55   1HB   ALA   7           HB2      ALA   7  83.274  -2.779   2.892
   56   2HB   ALA   7           HB1      ALA   7  82.158  -3.792   3.807
   57   3HB   ALA   7           HB3      ALA   7  83.493  -4.528   2.920
   58    H    ALA   8           HN       ALA   8  79.773  -2.533   2.261
   59    HA   ALA   8           HA       ALA   8  78.218  -4.501   3.620
   60   1HB   ALA   8           HB1      ALA   8  78.104  -1.815   3.098
   61   2HB   ALA   8           HB3      ALA   8  76.804  -2.416   2.067
   62   3HB   ALA   8           HB2      ALA   8  76.774  -2.737   3.801
   63    H    VAL   9           HN       VAL   9  78.519  -3.689   0.192
   64    HA   VAL   9           HA       VAL   9  76.287  -5.447  -0.588
   65    HB   VAL   9           HB       VAL   9  78.383  -3.859  -2.106
   66   1HG1  VAL   9          HG11      VAL   9  76.417  -5.840  -2.981
   67   2HG1  VAL   9          HG13      VAL   9  76.185  -4.275  -3.761
   68   3HG1  VAL   9          HG12      VAL   9  77.739  -5.099  -3.884
   69   1HG2  VAL   9          HG21      VAL   9  75.713  -3.285  -0.951
   70   2HG2  VAL   9          HG23      VAL   9  77.049  -2.186  -1.297
   71   3HG2  VAL   9          HG22      VAL   9  75.968  -2.694  -2.594
   72    H    GLU  10           HN       GLU  10  79.771  -5.618  -0.272
   73    HA   GLU  10           HA       GLU  10  80.263  -7.845  -2.022
   74   1HB   GLU  10           HB2      GLU  10  82.083  -6.495  -1.286
   75   2HB   GLU  10           HB1      GLU  10  81.613  -6.655   0.408
   76   1HG   GLU  10           HG2      GLU  10  83.562  -8.085  -0.127
   77   2HG   GLU  10           HG1      GLU  10  82.165  -9.051   0.349
   78    H    GLN  11           HN       GLN  11  78.941  -7.599   1.209
   79    HA   GLN  11           HA       GLN  11  79.421 -10.366   1.973
   80   1HB   GLN  11           HB2      GLN  11  77.561  -8.176   2.948
   81   2HB   GLN  11           HB1      GLN  11  77.777  -9.718   3.777
   82   1HG   GLN  11           HG2      GLN  11  80.378  -8.906   3.388
   83   2HG   GLN  11           HG1      GLN  11  79.554  -7.376   3.688
   84   1HE2  GLN  11          HE22      GLN  11  80.078  -8.214   7.118
   85   2HE2  GLN  11          HE21      GLN  11  80.632  -7.257   5.830
   86    H    LEU  12           HN       LEU  12  76.717  -8.582   0.504
   87    HA   LEU  12           HA       LEU  12  74.794 -10.720   0.619
   88   1HB   LEU  12           HB2      LEU  12  75.099  -8.389  -1.304
   89   2HB   LEU  12           HB1      LEU  12  73.615  -9.299  -1.020
   90    HG   LEU  12           HG       LEU  12  75.119  -7.797   1.140
   91   1HD1  LEU  12          HD11      LEU  12  73.888  -6.534  -0.867
   92   2HD1  LEU  12          HD13      LEU  12  72.462  -6.913   0.098
   93   3HD1  LEU  12          HD12      LEU  12  73.768  -5.955   0.795
   94   1HD2  LEU  12          HD23      LEU  12  73.656  -9.773   1.776
   95   2HD2  LEU  12          HD22      LEU  12  73.174  -8.235   2.493
   96   3HD2  LEU  12          HD21      LEU  12  72.288  -8.880   1.111
   97    H    THR  13           HN       THR  13  74.283 -12.295  -0.957
   98    HA   THR  13           HA       THR  13  76.456 -12.898  -2.896
   99    HB   THR  13           HB       THR  13  74.906 -15.034  -3.024
  100    HG1  THR  13           HG1      THR  13  73.181 -14.662  -1.881
  101   1HG2  THR  13          HG21      THR  13  77.013 -14.165  -1.266
  102   2HG2  THR  13          HG23      THR  13  75.921 -15.238  -0.392
  103   3HG2  THR  13          HG22      THR  13  76.688 -15.785  -1.882
  104    H    GLU  14           HN       GLU  14  75.855 -13.494  -5.125
  105    HA   GLU  14           HA       GLU  14  74.352 -11.660  -6.567
  106   1HB   GLU  14           HB2      GLU  14  74.468 -13.278  -8.345
  107   2HB   GLU  14           HB1      GLU  14  75.903 -13.526  -7.349
  108   1HG   GLU  14           HG2      GLU  14  74.590 -15.300  -6.092
  109   2HG   GLU  14           HG1      GLU  14  73.355 -15.159  -7.343
  110    H    GLU  15           HN       GLU  15  73.176 -14.564  -4.908
  111    HA   GLU  15           HA       GLU  15  70.530 -14.610  -6.007
  112   1HB   GLU  15           HB2      GLU  15  71.977 -15.654  -3.607
  113   2HB   GLU  15           HB1      GLU  15  70.214 -15.726  -3.595
  114   1HG   GLU  15           HG2      GLU  15  71.712 -16.672  -6.020
  115   2HG   GLU  15           HG1      GLU  15  71.588 -17.726  -4.611
  116    H    GLN  16           HN       GLN  16  71.866 -13.024  -3.096
  117    HA   GLN  16           HA       GLN  16  69.374 -11.943  -2.153
  118   1HB   GLN  16           HB2      GLN  16  72.244 -11.003  -1.825
  119   2HB   GLN  16           HB1      GLN  16  70.891 -10.531  -0.795
  120   1HG   GLN  16           HG2      GLN  16  70.889 -13.377  -0.962
  121   2HG   GLN  16           HG1      GLN  16  72.536 -12.865  -0.595
  122   1HE2  GLN  16          HE22      GLN  16  69.764 -11.366   2.035
  123   2HE2  GLN  16          HE21      GLN  16  69.513 -11.194   0.364
  124    H    LYS  17           HN       LYS  17  71.894 -10.667  -4.324
  125    HA   LYS  17           HA       LYS  17  70.878  -8.011  -4.590
  126   1HB   LYS  17           HB2      LYS  17  72.583  -9.895  -6.198
  127   2HB   LYS  17           HB1      LYS  17  72.122  -8.340  -6.893
  128   1HG   LYS  17           HG2      LYS  17  72.910  -7.667  -4.321
  129   2HG   LYS  17           HG1      LYS  17  74.057  -8.928  -4.775
  130   1HD   LYS  17           HD2      LYS  17  73.818  -7.330  -7.064
  131   2HD   LYS  17           HD1      LYS  17  73.878  -6.186  -5.723
  132   1HE   LYS  17           HE2      LYS  17  75.927  -7.303  -4.868
  133   2HE   LYS  17           HE1      LYS  17  75.884  -8.408  -6.255
  134   1HZ   LYS  17           HZ1      LYS  17  75.532  -5.756  -7.150
  135   2HZ   LYS  17           HZ3      LYS  17  76.926  -5.824  -6.185
  136   3HZ   LYS  17           HZ2      LYS  17  76.777  -6.847  -7.533
  137    H    ASN  18           HN       ASN  18  70.199 -10.987  -6.445
  138    HA   ASN  18           HA       ASN  18  68.422  -9.731  -8.347
  139   1HB   ASN  18           HB2      ASN  18  69.178 -12.482  -7.443
  140   2HB   ASN  18           HB1      ASN  18  67.712 -12.311  -8.408
  141   1HD2  ASN  18          HD22      ASN  18  71.139 -12.384 -10.361
  142   2HD2  ASN  18          HD21      ASN  18  70.854 -13.070  -8.835
  143    H    GLU  19           HN       GLU  19  67.988 -11.159  -5.146
  144    HA   GLU  19           HA       GLU  19  65.102 -11.340  -5.237
  145   1HB   GLU  19           HB2      GLU  19  66.722 -12.536  -3.703
  146   2HB   GLU  19           HB1      GLU  19  66.950 -11.007  -2.855
  147   1HG   GLU  19           HG2      GLU  19  64.244 -11.119  -2.883
  148   2HG   GLU  19           HG1      GLU  19  64.618 -12.843  -2.849
  149    H    PHE  20           HN       PHE  20  67.396  -8.829  -4.210
  150    HA   PHE  20           HA       PHE  20  65.317  -7.069  -3.143
  151   1HB   PHE  20           HB2      PHE  20  68.259  -7.134  -3.530
  152   2HB   PHE  20           HB1      PHE  20  67.533  -5.527  -3.494
  153    HD1  PHE  20           HD2      PHE  20  65.336  -5.741  -1.635
  154    HD2  PHE  20           HD1      PHE  20  69.222  -7.563  -1.441
  155    HE1  PHE  20           HE2      PHE  20  65.148  -5.879   0.833
  156    HE2  PHE  20           HE1      PHE  20  69.034  -7.701   1.029
  157    HZ   PHE  20           HZ       PHE  20  66.997  -6.859   2.166
  158    H    LYS  21           HN       LYS  21  67.113  -7.392  -6.184
  159    HA   LYS  21           HA       LYS  21  66.431  -4.927  -7.413
  160   1HB   LYS  21           HB2      LYS  21  68.058  -6.698  -8.173
  161   2HB   LYS  21           HB1      LYS  21  66.679  -7.669  -8.690
  162   1HG   LYS  21           HG2      LYS  21  66.061  -5.326  -9.895
  163   2HG   LYS  21           HG1      LYS  21  67.821  -5.210  -9.902
  164   1HD   LYS  21           HD2      LYS  21  67.761  -7.647 -10.799
  165   2HD   LYS  21           HD1      LYS  21  66.070  -7.308 -11.174
  166   1HE   LYS  21           HE2      LYS  21  67.175  -6.679 -13.166
  167   2HE   LYS  21           HE1      LYS  21  67.048  -5.134 -12.303
  168   1HZ   LYS  21           HZ1      LYS  21  69.228  -5.560 -11.320
  169   2HZ   LYS  21           HZ3      LYS  21  69.359  -7.001 -12.204
  170   3HZ   LYS  21           HZ2      LYS  21  69.323  -5.509 -13.016
  171    H    ALA  22           HN       ALA  22  64.767  -8.091  -7.758
  172    HA   ALA  22           HA       ALA  22  62.572  -7.220  -9.306
  173   1HB   ALA  22           HB2      ALA  22  63.284  -9.563  -8.683
  174   2HB   ALA  22           HB1      ALA  22  62.569  -9.295  -7.094
  175   3HB   ALA  22           HB3      ALA  22  61.550  -9.279  -8.532
  176    H    ALA  23           HN       ALA  23  63.084  -7.051  -5.797
  177    HA   ALA  23           HA       ALA  23  60.364  -6.133  -5.232
  178   1HB   ALA  23           HB2      ALA  23  62.949  -6.553  -3.769
  179   2HB   ALA  23           HB1      ALA  23  61.687  -5.596  -2.995
  180   3HB   ALA  23           HB3      ALA  23  61.368  -7.268  -3.460
  181    H    PHE  24           HN       PHE  24  63.427  -4.646  -6.053
  182    HA   PHE  24           HA       PHE  24  62.903  -2.011  -5.016
  183   1HB   PHE  24           HB2      PHE  24  65.107  -3.011  -5.691
  184   2HB   PHE  24           HB1      PHE  24  64.594  -2.896  -7.376
  185    HD1  PHE  24           HD1      PHE  24  63.715  -0.530  -8.132
  186    HD2  PHE  24           HD2      PHE  24  66.246  -1.217  -4.734
  187    HE1  PHE  24           HE1      PHE  24  64.441   1.842  -8.195
  188    HE2  PHE  24           HE2      PHE  24  66.975   1.156  -4.795
  189    HZ   PHE  24           HZ       PHE  24  66.071   2.685  -6.526
  190    H    ASP  25           HN       ASP  25  62.662  -3.313  -8.355
  191    HA   ASP  25           HA       ASP  25  61.570  -1.020  -9.597
  192   1HB   ASP  25           HB2      ASP  25  62.193  -3.677 -10.209
  193   2HB   ASP  25           HB1      ASP  25  60.469  -3.545 -10.559
  194    H    ILE  26           HN       ILE  26  60.124  -3.147  -7.290
  195    HA   ILE  26           HA       ILE  26  57.399  -3.164  -7.928
  196    HB   ILE  26           HB       ILE  26  58.823  -2.774  -5.277
  197   1HG1  ILE  26          HG12      ILE  26  59.408  -4.808  -6.619
  198   2HG1  ILE  26          HG11      ILE  26  58.611  -5.196  -5.094
  199   1HG2  ILE  26          HG21      ILE  26  56.378  -2.162  -5.239
  200   2HG2  ILE  26          HG23      ILE  26  56.016  -3.803  -5.773
  201   3HG2  ILE  26          HG22      ILE  26  56.788  -3.535  -4.210
  202   1HD1  ILE  26          HD11      ILE  26  56.415  -5.167  -6.453
  203   2HD1  ILE  26          HD13      ILE  26  57.452  -5.248  -7.878
  204   3HD1  ILE  26          HD12      ILE  26  57.492  -6.544  -6.683
  205    H    PHE  27           HN       PHE  27  59.290  -0.525  -6.452
  206    HA   PHE  27           HA       PHE  27  56.962   1.294  -6.975
  207   1HB   PHE  27           HB2      PHE  27  58.835   1.164  -4.590
  208   2HB   PHE  27           HB1      PHE  27  57.620   2.419  -4.835
  209    HD1  PHE  27           HD2      PHE  27  55.186   1.461  -5.435
  210    HD2  PHE  27           HD1      PHE  27  58.235  -0.675  -3.294
  211    HE1  PHE  27           HE2      PHE  27  53.456  -0.018  -4.450
  212    HE2  PHE  27           HE1      PHE  27  56.506  -2.155  -2.308
  213    HZ   PHE  27           HZ       PHE  27  54.117  -1.826  -2.887
  214    H    VAL  28           HN       VAL  28  59.037   0.984  -8.834
  215    HA   VAL  28           HA       VAL  28  61.091   3.027  -8.385
  216    HB   VAL  28           HB       VAL  28  61.215   0.807  -9.668
  217   1HG1  VAL  28          HG11      VAL  28  59.055   1.558 -10.968
  218   2HG1  VAL  28          HG13      VAL  28  60.215   2.378 -12.013
  219   3HG1  VAL  28          HG12      VAL  28  60.304   0.630 -11.798
  220   1HG2  VAL  28          HG23      VAL  28  62.164   3.432 -10.827
  221   2HG2  VAL  28          HG22      VAL  28  63.070   2.308  -9.814
  222   3HG2  VAL  28          HG21      VAL  28  62.673   1.874 -11.477
  223    H    LEU  29           HN       LEU  29  57.897   3.121  -9.217
  224    HA   LEU  29           HA       LEU  29  56.533   4.890 -10.013
  225   1HB   LEU  29           HB2      LEU  29  59.025   6.000  -9.133
  226   2HB   LEU  29           HB1      LEU  29  58.535   6.845 -10.602
  227    HG   LEU  29           HG       LEU  29  56.249   7.132  -9.573
  228   1HD1  LEU  29          HD11      LEU  29  57.692   5.745  -7.343
  229   2HD1  LEU  29          HD13      LEU  29  56.487   6.967  -6.936
  230   3HD1  LEU  29          HD12      LEU  29  56.025   5.554  -7.885
  231   1HD2  LEU  29          HD21      LEU  29  58.772   8.406  -8.761
  232   2HD2  LEU  29          HD23      LEU  29  57.256   9.146  -9.277
  233   3HD2  LEU  29          HD22      LEU  29  57.463   8.638  -7.601
  234    H    GLY  30           HN       GLY  30  57.789   2.906 -11.824
  235   1HA   GLY  30           HA2      GLY  30  58.168   2.565 -14.120
  236   2HA   GLY  30           HA1      GLY  30  56.970   3.844 -14.326
  237    H    ALA  31           HN       ALA  31  60.232   4.025 -12.899
  238    HA   ALA  31           HA       ALA  31  60.880   6.121 -14.944
  239   1HB   ALA  31           HB1      ALA  31  61.120   5.875 -12.038
  240   2HB   ALA  31           HB3      ALA  31  62.639   6.354 -12.795
  241   3HB   ALA  31           HB2      ALA  31  61.185   7.321 -13.044
  242    H    GLU  32           HN       GLU  32  62.330   5.379 -16.439
  243    HA   GLU  32           HA       GLU  32  63.729   2.956 -16.426
  244   1HB   GLU  32           HB2      GLU  32  65.086   4.020 -18.172
  245   2HB   GLU  32           HB1      GLU  32  63.409   4.545 -18.325
  246   1HG   GLU  32           HG2      GLU  32  64.016   6.572 -16.937
  247   2HG   GLU  32           HG1      GLU  32  65.704   6.081 -17.085
  248    H    ASP  33           HN       ASP  33  64.454   5.879 -14.668
  249    HA   ASP  33           HA       ASP  33  67.250   5.574 -14.233
  250   1HB   ASP  33           HB2      ASP  33  65.092   7.191 -13.388
  251   2HB   ASP  33           HB1      ASP  33  65.833   6.566 -11.914
  252    H    GLY  34           HN       GLY  34  64.614   3.650 -13.135
  253   1HA   GLY  34           HA2      GLY  34  64.532   1.806 -11.686
  254   2HA   GLY  34           HA1      GLY  34  66.282   1.710 -11.885
  255    H    CYS  35           HN       CYS  35  64.496   4.462 -10.560
  256    HA   CYS  35           HA       CYS  35  65.795   3.916  -7.909
  257   1HB   CYS  35           HB2      CYS  35  65.260   6.592  -9.237
  258   2HB   CYS  35           HB1      CYS  35  66.186   6.314  -7.761
  259    HG   CYS  35           HG       CYS  35  67.593   6.455 -10.189
  260    H    ILE  36           HN       ILE  36  64.486   4.301  -6.084
  261    HA   ILE  36           HA       ILE  36  61.605   4.885  -6.672
  262    HB   ILE  36           HB       ILE  36  61.197   3.548  -4.646
  263   1HG1  ILE  36          HG12      ILE  36  64.219   3.272  -4.534
  264   2HG1  ILE  36          HG11      ILE  36  63.262   4.278  -3.445
  265   1HG2  ILE  36          HG21      ILE  36  62.938   2.469  -6.836
  266   2HG2  ILE  36          HG23      ILE  36  62.524   1.419  -5.482
  267   3HG2  ILE  36          HG22      ILE  36  61.248   2.116  -6.478
  268   1HD1  ILE  36          HD12      ILE  36  61.970   2.232  -2.783
  269   2HD1  ILE  36          HD11      ILE  36  63.084   1.269  -3.754
  270   3HD1  ILE  36          HD13      ILE  36  63.677   2.153  -2.349
  271    H    SER  37           HN       SER  37  60.458   6.049  -4.856
  272    HA   SER  37           HA       SER  37  62.037   8.376  -3.996
  273   1HB   SER  37           HB2      SER  37  59.869   8.859  -4.787
  274   2HB   SER  37           HB1      SER  37  59.158   7.486  -3.946
  275    HG   SER  37           HG       SER  37  59.262   9.955  -3.120
  276    H    THR  38           HN       THR  38  62.570   8.858  -1.841
  277    HA   THR  38           HA       THR  38  63.171   6.874   0.017
  278    HB   THR  38           HB       THR  38  63.172   8.757   1.644
  279    HG1  THR  38           HG1      THR  38  61.258   9.750   0.975
  280   1HG2  THR  38          HG23      THR  38  64.369   8.841  -1.041
  281   2HG2  THR  38          HG22      THR  38  64.303  10.411  -0.240
  282   3HG2  THR  38          HG21      THR  38  65.127   9.058   0.536
  283    H    LYS  39           HN       LYS  39  60.041   8.246  -0.705
  284    HA   LYS  39           HA       LYS  39  58.743   7.394   1.767
  285   1HB   LYS  39           HB2      LYS  39  58.218   9.179  -0.205
  286   2HB   LYS  39           HB1      LYS  39  57.209   7.836  -0.743
  287   1HG   LYS  39           HG2      LYS  39  55.846   7.927   1.126
  288   2HG   LYS  39           HG1      LYS  39  57.112   8.611   2.146
  289   1HD   LYS  39           HD2      LYS  39  56.420  10.364  -0.089
  290   2HD   LYS  39           HD1      LYS  39  55.039  10.037   0.960
  291   1HE   LYS  39           HE2      LYS  39  55.926  11.239   2.688
  292   2HE   LYS  39           HE1      LYS  39  57.559  10.603   2.406
  293   1HZ   LYS  39           HZ3      LYS  39  57.716  12.002   0.432
  294   2HZ   LYS  39           HZ2      LYS  39  56.172  12.640   0.741
  295   3HZ   LYS  39           HZ1      LYS  39  57.451  12.944   1.817
  296    H    GLU  40           HN       GLU  40  59.775   5.780  -1.063
  297    HA   GLU  40           HA       GLU  40  57.681   3.684  -0.925
  298   1HB   GLU  40           HB2      GLU  40  60.138   4.026  -2.675
  299   2HB   GLU  40           HB1      GLU  40  58.829   2.876  -2.949
  300   1HG   GLU  40           HG2      GLU  40  58.577   5.898  -2.934
  301   2HG   GLU  40           HG1      GLU  40  58.494   4.854  -4.353
  302    H    LEU  41           HN       LEU  41  61.169   4.084  -0.340
  303    HA   LEU  41           HA       LEU  41  62.081   1.515   0.078
  304   1HB   LEU  41           HB2      LEU  41  62.853   4.105   0.696
  305   2HB   LEU  41           HB1      LEU  41  62.755   3.335   2.281
  306    HG   LEU  41           HG       LEU  41  64.404   2.461  -0.100
  307   1HD1  LEU  41          HD11      LEU  41  65.250   4.222   1.530
  308   2HD1  LEU  41          HD13      LEU  41  65.214   2.969   2.771
  309   3HD1  LEU  41          HD12      LEU  41  66.268   2.792   1.369
  310   1HD2  LEU  41          HD22      LEU  41  63.139   0.836   1.915
  311   2HD2  LEU  41          HD21      LEU  41  64.198   0.329   0.599
  312   3HD2  LEU  41          HD23      LEU  41  64.886   0.801   2.152
  313    H    GLY  42           HN       GLY  42  60.254   3.445   2.480
  314   1HA   GLY  42           HA2      GLY  42  60.223   1.729   4.648
  315   2HA   GLY  42           HA1      GLY  42  58.817   2.692   4.192
  316    H    LYS  43           HN       LYS  43  57.449   1.699   2.392
  317    HA   LYS  43           HA       LYS  43  56.365  -0.769   3.106
  318   1HB   LYS  43           HB2      LYS  43  55.902   1.173   1.252
  319   2HB   LYS  43           HB1      LYS  43  56.439  -0.144   0.209
  320   1HG   LYS  43           HG2      LYS  43  54.197  -0.674   0.336
  321   2HG   LYS  43           HG1      LYS  43  54.771  -1.545   1.759
  322   1HD   LYS  43           HD2      LYS  43  53.214  -0.350   2.893
  323   2HD   LYS  43           HD1      LYS  43  54.353   0.990   2.756
  324   1HE   LYS  43           HE2      LYS  43  53.051   1.020   0.296
  325   2HE   LYS  43           HE1      LYS  43  51.757   0.641   1.450
  326   1HZ   LYS  43           HZ1      LYS  43  52.837   2.437   2.884
  327   2HZ   LYS  43           HZ3      LYS  43  53.617   2.938   1.464
  328   3HZ   LYS  43           HZ2      LYS  43  51.920   2.949   1.549
  329    H    VAL  44           HN       VAL  44  59.097  -0.152   0.918
  330    HA   VAL  44           HA       VAL  44  59.335  -2.853  -0.067
  331    HB   VAL  44           HB       VAL  44  61.088  -0.403   0.108
  332   1HG1  VAL  44          HG12      VAL  44  61.947  -3.148  -0.271
  333   2HG1  VAL  44          HG11      VAL  44  62.260  -2.189  -1.718
  334   3HG1  VAL  44          HG13      VAL  44  62.923  -1.683  -0.163
  335   1HG2  VAL  44          HG23      VAL  44  59.554  -1.882  -2.025
  336   2HG2  VAL  44          HG22      VAL  44  59.454  -0.178  -1.577
  337   3HG2  VAL  44          HG21      VAL  44  60.860  -0.779  -2.457
  338    H    MET  45           HN       MET  45  60.792  -1.108   2.677
  339    HA   MET  45           HA       MET  45  62.648  -3.173   3.433
  340   1HB   MET  45           HB2      MET  45  61.476  -0.675   4.526
  341   2HB   MET  45           HB1      MET  45  62.123  -1.798   5.723
  342   1HG   MET  45           HG2      MET  45  64.134  -1.888   3.940
  343   2HG   MET  45           HG1      MET  45  63.544  -0.259   3.607
  344   1HE   MET  45           HE3      MET  45  65.189   1.128   4.207
  345   2HE   MET  45           HE2      MET  45  66.087   1.260   5.716
  346   3HE   MET  45           HE1      MET  45  66.430  -0.066   4.607
  347    H    ARG  46           HN       ARG  46  59.254  -2.545   4.254
  348    HA   ARG  46           HA       ARG  46  59.064  -4.474   6.392
  349   1HB   ARG  46           HB2      ARG  46  56.897  -3.501   4.508
  350   2HB   ARG  46           HB1      ARG  46  56.704  -4.029   6.180
  351   1HG   ARG  46           HG2      ARG  46  58.445  -2.092   6.655
  352   2HG   ARG  46           HG1      ARG  46  57.836  -1.465   5.123
  353   1HD   ARG  46           HD2      ARG  46  56.017  -0.662   6.204
  354   2HD   ARG  46           HD1      ARG  46  55.583  -2.319   6.673
  355    HE   ARG  46           HE       ARG  46  57.710  -0.986   8.250
  356   1HH1  ARG  46          HH21      ARG  46  55.235  -3.194   8.340
  357   2HH1  ARG  46          HH22      ARG  46  54.557  -2.666   9.844
  358   1HH2  ARG  46          HH11      ARG  46  56.507   0.196  10.020
  359   2HH2  ARG  46          HH12      ARG  46  55.276  -0.744  10.793
  360    H    MET  47           HN       MET  47  58.153  -4.622   2.929
  361    HA   MET  47           HA       MET  47  57.085  -7.173   2.732
  362   1HB   MET  47           HB2      MET  47  59.126  -5.874   0.898
  363   2HB   MET  47           HB1      MET  47  57.961  -7.113   0.430
  364   1HG   MET  47           HG2      MET  47  56.615  -4.928   1.765
  365   2HG   MET  47           HG1      MET  47  57.565  -4.323   0.408
  366   1HE   MET  47           HE3      MET  47  57.824  -5.875  -1.666
  367   2HE   MET  47           HE2      MET  47  56.381  -6.192  -2.625
  368   3HE   MET  47           HE1      MET  47  56.755  -4.544  -2.127
  369    H    LEU  48           HN       LEU  48  60.452  -6.312   3.316
  370    HA   LEU  48           HA       LEU  48  61.285  -9.161   3.053
  371   1HB   LEU  48           HB2      LEU  48  62.541  -6.462   2.995
  372   2HB   LEU  48           HB1      LEU  48  63.534  -7.773   3.636
  373    HG   LEU  48           HG       LEU  48  62.396  -8.928   1.402
  374   1HD1  LEU  48          HD11      LEU  48  61.726  -6.373   0.994
  375   2HD1  LEU  48          HD13      LEU  48  63.378  -6.298   0.379
  376   3HD1  LEU  48          HD12      LEU  48  62.219  -7.419  -0.336
  377   1HD2  LEU  48          HD23      LEU  48  65.027  -7.588   1.981
  378   2HD2  LEU  48          HD22      LEU  48  64.672  -9.306   1.795
  379   3HD2  LEU  48          HD21      LEU  48  64.723  -8.258   0.377
  380    H    GLY  49           HN       GLY  49  60.107  -7.100   5.425
  381   1HA   GLY  49           HA2      GLY  49  59.830  -8.155   7.679
  382   2HA   GLY  49           HA1      GLY  49  61.520  -8.651   7.560
  383    H    GLN  50           HN       GLN  50  62.891  -6.484   6.835
  384    HA   GLN  50           HA       GLN  50  63.319  -4.920   9.066
  385   1HB   GLN  50           HB2      GLN  50  63.739  -4.717   6.159
  386   2HB   GLN  50           HB1      GLN  50  63.739  -3.157   6.983
  387   1HG   GLN  50           HG2      GLN  50  66.003  -4.302   6.849
  388   2HG   GLN  50           HG1      GLN  50  65.490  -3.848   8.474
  389   1HE2  GLN  50          HE22      GLN  50  65.484  -7.835   7.452
  390   2HE2  GLN  50          HE21      GLN  50  65.372  -6.666   6.225
  391    H    ASN  51           HN       ASN  51  62.095  -3.449  10.176
  392    HA   ASN  51           HA       ASN  51  60.041  -1.864   8.694
  393   1HB   ASN  51           HB2      ASN  51  58.370  -2.479  10.353
  394   2HB   ASN  51           HB1      ASN  51  59.081  -3.961   9.712
  395   1HD2  ASN  51          HD22      ASN  51  59.363  -3.214  13.646
  396   2HD2  ASN  51          HD21      ASN  51  58.370  -2.313  12.605
  397    HA   PRO  52           HA       PRO  52  62.576   0.424  11.923
  398   1HB   PRO  52           HB2      PRO  52  63.852   2.130  10.205
  399   2HB   PRO  52           HB1      PRO  52  64.512   0.548  10.664
  400   1HG   PRO  52           HG2      PRO  52  63.088   1.356   8.181
  401   2HG   PRO  52           HG1      PRO  52  64.452   0.248   8.392
  402   1HD   PRO  52           HD2      PRO  52  61.871  -0.573   8.018
  403   2HD   PRO  52           HD1      PRO  52  63.101  -1.530   8.873
  404    H    THR  53           HN       THR  53  62.351   2.816  12.373
  405    HA   THR  53           HA       THR  53  59.673   3.746  11.726
  406    HB   THR  53           HB       THR  53  60.259   5.526  13.257
  407    HG1  THR  53           HG1      THR  53  62.426   5.852  13.830
  408   1HG2  THR  53          HG21      THR  53  60.178   3.022  14.029
  409   2HG2  THR  53          HG23      THR  53  61.910   3.237  14.284
  410   3HG2  THR  53          HG22      THR  53  60.758   4.254  15.151
  411    HA   PRO  54           HA       PRO  54  60.598   6.211   8.212
  412   1HB   PRO  54           HB2      PRO  54  58.751   8.208   8.502
  413   2HB   PRO  54           HB1      PRO  54  58.318   6.556   8.017
  414   1HG   PRO  54           HG2      PRO  54  58.079   7.873  10.672
  415   2HG   PRO  54           HG1      PRO  54  56.995   6.719   9.881
  416   1HD   PRO  54           HD2      PRO  54  58.759   6.045  11.862
  417   2HD   PRO  54           HD1      PRO  54  58.163   4.908  10.634
  418    H    GLU  55           HN       GLU  55  60.490   7.769  11.382
  419    HA   GLU  55           HA       GLU  55  61.656  10.287  10.616
  420   1HB   GLU  55           HB2      GLU  55  60.429   9.876  12.708
  421   2HB   GLU  55           HB1      GLU  55  61.667   8.730  13.224
  422   1HG   GLU  55           HG2      GLU  55  63.102  11.034  12.560
  423   2HG   GLU  55           HG1      GLU  55  61.667  11.639  13.390
  424    H    GLU  56           HN       GLU  56  63.004   7.112  11.134
  425    HA   GLU  56           HA       GLU  56  65.746   8.062  11.584
  426   1HB   GLU  56           HB2      GLU  56  64.188   5.623  11.708
  427   2HB   GLU  56           HB1      GLU  56  65.692   5.341  10.829
  428   1HG   GLU  56           HG2      GLU  56  66.624   6.838  12.890
  429   2HG   GLU  56           HG1      GLU  56  65.273   6.027  13.682
  430    H    LEU  57           HN       LEU  57  63.987   6.433   8.924
  431    HA   LEU  57           HA       LEU  57  66.031   6.163   7.039
  432   1HB   LEU  57           HB2      LEU  57  63.150   7.038   6.650
  433   2HB   LEU  57           HB1      LEU  57  64.173   6.331   5.398
  434    HG   LEU  57           HG       LEU  57  63.941   4.830   7.961
  435   1HD1  LEU  57          HD12      LEU  57  61.618   5.725   6.637
  436   2HD1  LEU  57          HD11      LEU  57  61.830   4.046   6.143
  437   3HD1  LEU  57          HD13      LEU  57  61.722   4.454   7.856
  438   1HD2  LEU  57          HD22      LEU  57  64.280   4.276   5.026
  439   2HD2  LEU  57          HD21      LEU  57  65.277   3.744   6.381
  440   3HD2  LEU  57          HD23      LEU  57  63.709   2.991   6.092
  441    H    GLN  58           HN       GLN  58  63.855   9.007   7.332
  442    HA   GLN  58           HA       GLN  58  65.078  10.668   5.417
  443   1HB   GLN  58           HB2      GLN  58  63.305  10.873   7.732
  444   2HB   GLN  58           HB1      GLN  58  64.268  12.333   7.506
  445   1HG   GLN  58           HG2      GLN  58  63.013  11.113   5.086
  446   2HG   GLN  58           HG1      GLN  58  61.962  11.978   6.209
  447   1HE2  GLN  58          HE22      GLN  58  64.046  14.146   3.641
  448   2HE2  GLN  58          HE21      GLN  58  63.626  12.514   3.434
  449    H    GLU  59           HN       GLU  59  65.998  10.101   8.805
  450    HA   GLU  59           HA       GLU  59  67.940  12.165   9.075
  451   1HB   GLU  59           HB2      GLU  59  67.053   9.740  10.410
  452   2HB   GLU  59           HB1      GLU  59  68.804   9.921  10.535
  453   1HG   GLU  59           HG2      GLU  59  68.163  12.435  11.102
  454   2HG   GLU  59           HG1      GLU  59  66.634  11.698  11.583
  455    H    MET  60           HN       MET  60  68.113   9.004   7.514
  456    HA   MET  60           HA       MET  60  71.048   9.262   7.131
  457   1HB   MET  60           HB2      MET  60  68.967   7.165   7.074
  458   2HB   MET  60           HB1      MET  60  70.227   6.977   5.854
  459   1HG   MET  60           HG2      MET  60  71.438   6.011   7.509
  460   2HG   MET  60           HG1      MET  60  71.680   7.656   8.098
  461   1HE   MET  60           HE3      MET  60  68.819   5.101   7.838
  462   2HE   MET  60           HE2      MET  60  70.083   4.206   8.677
  463   3HE   MET  60           HE1      MET  60  68.578   4.584   9.512
  464    H    ILE  61           HN       ILE  61  68.030   9.203   5.245
  465    HA   ILE  61           HA       ILE  61  69.189   9.217   2.635
  466    HB   ILE  61           HB       ILE  61  66.617  10.377   3.754
  467   1HG1  ILE  61          HG12      ILE  61  67.111   7.772   2.282
  468   2HG1  ILE  61          HG11      ILE  61  67.067   7.899   4.042
  469   1HG2  ILE  61          HG23      ILE  61  67.503  11.155   1.407
  470   2HG2  ILE  61          HG22      ILE  61  67.022   9.538   0.894
  471   3HG2  ILE  61          HG21      ILE  61  65.824  10.642   1.570
  472   1HD1  ILE  61          HD11      ILE  61  64.774   9.256   3.044
  473   2HD1  ILE  61          HD13      ILE  61  64.862   7.701   2.217
  474   3HD1  ILE  61          HD12      ILE  61  64.825   7.761   3.979
  475    H    ASP  62           HN       ASP  62  68.872  11.729   5.042
  476    HA   ASP  62           HA       ASP  62  68.981  14.053   3.402
  477   1HB   ASP  62           HB2      ASP  62  68.936  13.387   6.095
  478   2HB   ASP  62           HB1      ASP  62  70.510  14.162   5.905
  479    H    GLU  63           HN       GLU  63  71.565  11.925   4.606
  480    HA   GLU  63           HA       GLU  63  73.588  13.594   3.177
  481   1HB   GLU  63           HB2      GLU  63  75.166  12.484   4.623
  482   2HB   GLU  63           HB1      GLU  63  73.782  12.927   5.624
  483   1HG   GLU  63           HG2      GLU  63  72.862  10.641   5.338
  484   2HG   GLU  63           HG1      GLU  63  74.283  10.203   4.390
  485    H    VAL  64           HN       VAL  64  71.734  10.771   2.766
  486    HA   VAL  64           HA       VAL  64  73.766   9.335   1.163
  487    HB   VAL  64           HB       VAL  64  70.869   8.827   1.906
  488   1HG1  VAL  64          HG13      VAL  64  71.907   7.833  -0.332
  489   2HG1  VAL  64          HG12      VAL  64  72.671   6.710   0.792
  490   3HG1  VAL  64          HG11      VAL  64  70.912   6.831   0.726
  491   1HG2  VAL  64          HG22      VAL  64  72.655   8.714   3.702
  492   2HG2  VAL  64          HG21      VAL  64  71.780   7.204   3.444
  493   3HG2  VAL  64          HG23      VAL  64  73.402   7.408   2.780
  494    H    ASP  65           HN       ASP  65  70.565  10.864   0.654
  495    HA   ASP  65           HA       ASP  65  70.220  10.429  -2.086
  496   1HB   ASP  65           HB2      ASP  65  69.201  12.085  -0.018
  497   2HB   ASP  65           HB1      ASP  65  69.544  13.145  -1.386
  498    H    GLU  66           HN       GLU  66  72.240  10.505  -3.226
  499    HA   GLU  66           HA       GLU  66  74.110  12.673  -3.105
  500   1HB   GLU  66           HB2      GLU  66  73.499  10.308  -4.773
  501   2HB   GLU  66           HB1      GLU  66  74.386  11.585  -5.605
  502   1HG   GLU  66           HG2      GLU  66  75.601  11.384  -3.083
  503   2HG   GLU  66           HG1      GLU  66  75.330   9.717  -3.594
  504    H    ASP  67           HN       ASP  67  71.459  11.981  -5.416
  505    HA   ASP  67           HA       ASP  67  70.939  14.826  -5.813
  506   1HB   ASP  67           HB2      ASP  67  71.680  14.838  -8.180
  507   2HB   ASP  67           HB1      ASP  67  73.027  14.494  -7.094
  508    H    GLY  68           HN       GLY  68  69.342  12.532  -5.101
  509   1HA   GLY  68           HA2      GLY  68  67.737  12.018  -7.556
  510   2HA   GLY  68           HA1      GLY  68  67.623  11.098  -6.056
  511    H    SER  69           HN       SER  69  67.793  13.989  -4.782
  512    HA   SER  69           HA       SER  69  66.220  15.564  -3.981
  513   1HB   SER  69           HB2      SER  69  64.329  14.908  -6.176
  514   2HB   SER  69           HB1      SER  69  64.953  16.474  -5.666
  515    HG   SER  69           HG       SER  69  66.054  16.173  -7.474
  516    H    GLY  70           HN       GLY  70  66.090  12.751  -3.131
  517   1HA   GLY  70           HA2      GLY  70  64.498  11.998  -1.411
  518   2HA   GLY  70           HA1      GLY  70  63.197  12.669  -2.395
  519    H    THR  71           HN       THR  71  65.834  10.822  -3.799
  520    HA   THR  71           HA       THR  71  64.040   8.449  -4.082
  521    HB   THR  71           HB       THR  71  64.656   8.461  -6.529
  522    HG1  THR  71           HG1      THR  71  65.636  10.262  -7.341
  523   1HG2  THR  71          HG22      THR  71  62.582   9.609  -5.375
  524   2HG2  THR  71          HG21      THR  71  63.375  11.095  -5.901
  525   3HG2  THR  71          HG23      THR  71  62.904   9.879  -7.088
  526    H    VAL  72           HN       VAL  72  65.183   6.552  -3.869
  527    HA   VAL  72           HA       VAL  72  68.166   6.748  -3.769
  528    HB   VAL  72           HB       VAL  72  67.735   4.457  -2.547
  529   1HG1  VAL  72          HG11      VAL  72  67.221   7.234  -1.519
  530   2HG1  VAL  72          HG13      VAL  72  67.160   5.843  -0.437
  531   3HG1  VAL  72          HG12      VAL  72  68.651   6.219  -1.304
  532   1HG2  VAL  72          HG22      VAL  72  65.229   4.663  -3.270
  533   2HG2  VAL  72          HG21      VAL  72  65.602   4.108  -1.639
  534   3HG2  VAL  72          HG23      VAL  72  65.107   5.778  -1.910
  535    H    ASP  73           HN       ASP  73  69.358   4.853  -4.554
  536    HA   ASP  73           HA       ASP  73  67.944   3.378  -6.749
  537   1HB   ASP  73           HB2      ASP  73  70.245   3.563  -7.879
  538   2HB   ASP  73           HB1      ASP  73  69.329   5.066  -7.749
  539    H    PHE  74           HN       PHE  74  69.330   1.346  -7.334
  540    HA   PHE  74           HA       PHE  74  69.560  -0.385  -5.128
  541   1HB   PHE  74           HB2      PHE  74  69.596  -0.704  -7.744
  542   2HB   PHE  74           HB1      PHE  74  71.345  -0.616  -7.541
  543    HD1  PHE  74           HD2      PHE  74  68.552  -2.144  -5.552
  544    HD2  PHE  74           HD1      PHE  74  72.315  -2.726  -7.534
  545    HE1  PHE  74           HE2      PHE  74  68.580  -4.508  -4.798
  546    HE2  PHE  74           HE1      PHE  74  72.346  -5.092  -6.784
  547    HZ   PHE  74           HZ       PHE  74  70.477  -5.982  -5.415
  548    H    ASP  75           HN       ASP  75  71.733   2.086  -6.210
  549    HA   ASP  75           HA       ASP  75  74.121   1.012  -4.908
  550   1HB   ASP  75           HB2      ASP  75  73.627   2.766  -6.908
  551   2HB   ASP  75           HB1      ASP  75  73.839   3.899  -5.572
  552    H    GLU  76           HN       GLU  76  71.714   3.558  -4.151
  553    HA   GLU  76           HA       GLU  76  73.034   4.164  -1.589
  554   1HB   GLU  76           HB2      GLU  76  70.416   5.068  -2.834
  555   2HB   GLU  76           HB1      GLU  76  71.206   5.817  -1.446
  556   1HG   GLU  76           HG2      GLU  76  73.267   5.984  -3.073
  557   2HG   GLU  76           HG1      GLU  76  72.040   5.829  -4.330
  558    H    PHE  77           HN       PHE  77  69.875   2.820  -2.628
  559    HA   PHE  77           HA       PHE  77  68.659   2.292  -0.197
  560   1HB   PHE  77           HB2      PHE  77  67.630   1.793  -2.321
  561   2HB   PHE  77           HB1      PHE  77  68.887   0.619  -2.713
  562    HD1  PHE  77           HD2      PHE  77  67.231   1.080   0.585
  563    HD2  PHE  77           HD1      PHE  77  67.603  -1.380  -2.916
  564    HE1  PHE  77           HE2      PHE  77  65.916  -0.703   1.700
  565    HE2  PHE  77           HE1      PHE  77  66.287  -3.163  -1.802
  566    HZ   PHE  77           HZ       PHE  77  65.445  -2.826   0.505
  567    H    LEU  78           HN       LEU  78  70.994   0.103  -1.825
  568    HA   LEU  78           HA       LEU  78  71.118  -1.932   0.110
  569   1HB   LEU  78           HB2      LEU  78  72.921  -0.743  -1.949
  570   2HB   LEU  78           HB1      LEU  78  73.646  -1.870  -0.802
  571    HG   LEU  78           HG       LEU  78  71.167  -2.455  -2.446
  572   1HD1  LEU  78          HD13      LEU  78  74.063  -2.753  -2.982
  573   2HD1  LEU  78          HD12      LEU  78  73.091  -4.189  -3.302
  574   3HD1  LEU  78          HD11      LEU  78  72.712  -2.669  -4.112
  575   1HD2  LEU  78          HD22      LEU  78  72.724  -3.896  -0.339
  576   2HD2  LEU  78          HD21      LEU  78  70.989  -3.902  -0.652
  577   3HD2  LEU  78          HD23      LEU  78  72.071  -4.850  -1.671
  578    H    VAL  79           HN       VAL  79  73.136   1.025  -0.065
  579    HA   VAL  79           HA       VAL  79  74.745   0.619   2.204
  580    HB   VAL  79           HB       VAL  79  73.484   3.181   1.172
  581   1HG1  VAL  79          HG12      VAL  79  74.801   3.052   3.455
  582   2HG1  VAL  79          HG11      VAL  79  76.213   2.959   2.401
  583   3HG1  VAL  79          HG13      VAL  79  75.139   4.355   2.315
  584   1HG2  VAL  79          HG23      VAL  79  75.032   1.368  -0.225
  585   2HG2  VAL  79          HG22      VAL  79  74.902   3.087  -0.599
  586   3HG2  VAL  79          HG21      VAL  79  76.236   2.499   0.393
  587    H    MET  80           HN       MET  80  71.451   1.990   2.031
  588    HA   MET  80           HA       MET  80  71.244   2.693   4.810
  589   1HB   MET  80           HB2      MET  80  69.484   2.316   2.440
  590   2HB   MET  80           HB1      MET  80  68.691   2.268   4.014
  591   1HG   MET  80           HG2      MET  80  69.901   4.434   4.566
  592   2HG   MET  80           HG1      MET  80  70.376   4.507   2.869
  593   1HE   MET  80           HE2      MET  80  69.525   5.520   1.401
  594   2HE   MET  80           HE1      MET  80  68.090   4.731   0.749
  595   3HE   MET  80           HE3      MET  80  68.002   6.404   1.318
  596    H    MET  81           HN       MET  81  70.203  -0.219   3.003
  597    HA   MET  81           HA       MET  81  68.966  -1.618   5.130
  598   1HB   MET  81           HB2      MET  81  70.307  -2.247   2.541
  599   2HB   MET  81           HB1      MET  81  70.006  -3.600   3.633
  600   1HG   MET  81           HG2      MET  81  67.917  -1.611   2.693
  601   2HG   MET  81           HG1      MET  81  68.104  -3.256   2.087
  602   1HE   MET  81           HE3      MET  81  67.087  -4.821   2.526
  603   2HE   MET  81           HE2      MET  81  66.859  -5.591   4.094
  604   3HE   MET  81           HE1      MET  81  65.543  -4.665   3.376
  605    H    VAL  82           HN       VAL  82  72.272  -2.292   3.907
  606    HA   VAL  82           HA       VAL  82  73.165  -3.914   6.006
  607    HB   VAL  82           HB       VAL  82  75.432  -3.053   5.295
  608   1HG1  VAL  82          HG13      VAL  82  73.395  -3.727   3.153
  609   2HG1  VAL  82          HG12      VAL  82  75.139  -3.737   2.893
  610   3HG1  VAL  82          HG11      VAL  82  74.413  -4.860   4.042
  611   1HG2  VAL  82          HG23      VAL  82  73.675  -0.933   4.230
  612   2HG2  VAL  82          HG22      VAL  82  75.386  -0.868   4.652
  613   3HG2  VAL  82          HG21      VAL  82  74.887  -1.514   3.089
  614    H    ARG  83           HN       ARG  83  72.560  -0.486   6.052
  615    HA   ARG  83           HA       ARG  83  74.168  -0.060   8.505
  616   1HB   ARG  83           HB2      ARG  83  74.103   1.582   6.646
  617   2HB   ARG  83           HB1      ARG  83  72.363   1.760   6.880
  618   1HG   ARG  83           HG2      ARG  83  72.824   3.380   8.377
  619   2HG   ARG  83           HG1      ARG  83  73.462   2.119   9.432
  620   1HD   ARG  83           HD2      ARG  83  75.701   2.399   8.500
  621   2HD   ARG  83           HD1      ARG  83  75.091   3.574   7.317
  622    HE   ARG  83           HE       ARG  83  74.816   5.166   9.082
  623   1HH1  ARG  83          HH21      ARG  83  73.695   4.515  11.376
  624   2HH1  ARG  83          HH22      ARG  83  74.906   3.943  12.473
  625   1HH2  ARG  83          HH11      ARG  83  77.254   3.355   9.990
  626   2HH2  ARG  83          HH12      ARG  83  76.923   3.286  11.688
  627    H    CYS  84           HN       CYS  84  70.915  -0.825   7.599
  628    HA   CYS  84           HA       CYS  84  69.808   0.129  10.189
  629   1HB   CYS  84           HB2      CYS  84  68.691  -0.974   7.604
  630   2HB   CYS  84           HB1      CYS  84  67.674  -0.733   9.025
  631    HG   CYS  84           HG       CYS  84  67.707   1.458   7.488
  632    H    MET  85           HN       MET  85  71.370  -2.593   9.066
  633    HA   MET  85           HA       MET  85  70.089  -4.282  11.173
  634   1HB   MET  85           HB2      MET  85  70.056  -6.155   9.545
  635   2HB   MET  85           HB1      MET  85  69.076  -4.801   8.981
  636   1HG   MET  85           HG2      MET  85  70.280  -5.032   7.061
  637   2HG   MET  85           HG1      MET  85  71.519  -4.143   7.947
  638   1HE   MET  85           HE3      MET  85  71.138  -6.509   5.608
  639   2HE   MET  85           HE2      MET  85  72.729  -5.755   5.661
  640   3HE   MET  85           HE1      MET  85  72.591  -7.509   5.743
  641    H    LYS  86           HN       LYS  86  71.585  -5.594  12.251
  642    HA   LYS  86           HA       LYS  86  74.379  -5.668  11.174
  643   1HB   LYS  86           HB2      LYS  86  75.149  -5.163  13.471
  644   2HB   LYS  86           HB1      LYS  86  74.105  -3.878  12.861
  645   1HG   LYS  86           HG2      LYS  86  72.261  -5.535  13.998
  646   2HG   LYS  86           HG1      LYS  86  73.642  -5.795  15.064
  647   1HD   LYS  86           HD2      LYS  86  73.538  -3.690  15.920
  648   2HD   LYS  86           HD1      LYS  86  73.162  -2.972  14.353
  649   1HE   LYS  86           HE2      LYS  86  70.946  -2.937  14.827
  650   2HE   LYS  86           HE1      LYS  86  70.968  -4.644  15.314
  651   1HZ   LYS  86           HZ2      LYS  86  72.104  -3.902  17.390
  652   2HZ   LYS  86           HZ1      LYS  86  71.773  -2.297  16.945
  653   3HZ   LYS  86           HZ3      LYS  86  70.497  -3.371  17.251
  654    H    ASP  87           HN       ASP  87  74.281  -7.890  10.643
  655    HA   ASP  87           HA       ASP  87  74.196  -9.742  12.971
  656   1HB   ASP  87           HB2      ASP  87  72.216  -9.450  10.808
  657   2HB   ASP  87           HB1      ASP  87  72.772 -11.108  11.044
  658    H    ASP  88           HN       ASP  88  76.164 -10.753  12.787
  659    HA   ASP  88           HA       ASP  88  77.024 -11.655  10.055
  660   1HB   ASP  88           HB2      ASP  88  78.362  -9.770  10.788
  661   2HB   ASP  88           HB1      ASP  88  78.611 -10.507  12.371
  662    H    SER  89           HN       SER  89  77.857 -13.766   9.958
  663    HA   SER  89           HA       SER  89  78.220 -15.993  10.664
  664   1HB   SER  89           HB2      SER  89  79.213 -14.165  12.786
  665   2HB   SER  89           HB1      SER  89  79.013 -15.851  13.256
  666    HG   SER  89           HG       SER  89  80.236 -15.278  10.807
   
  No H/Q in entry =         666
  Start of MODEL    8
    1   1H    MET   1           HT3      MET   1  81.024   5.267  -2.952
    2   2H    MET   1           HT2      MET   1  79.844   5.571  -4.136
    3   3H    MET   1           HT1      MET   1  80.167   3.978  -3.644
    4    HA   MET   1           HA       MET   1  81.200   4.360  -5.783
    5   1HB   MET   1           HB2      MET   1  81.374   6.918  -4.711
    6   2HB   MET   1           HB1      MET   1  83.056   6.385  -4.756
    7   1HG   MET   1           HG2      MET   1  82.020   5.526  -7.197
    8   2HG   MET   1           HG1      MET   1  81.290   7.114  -6.962
    9   1HE   MET   1           HE2      MET   1  82.422   9.162  -6.389
   10   2HE   MET   1           HE1      MET   1  83.891   9.641  -7.235
   11   3HE   MET   1           HE3      MET   1  82.488   9.067  -8.147
   12    H    ASP   2           HN       ASP   2  83.279   5.300  -3.014
   13    HA   ASP   2           HA       ASP   2  84.540   2.604  -3.072
   14   1HB   ASP   2           HB2      ASP   2  85.618   4.344  -4.672
   15   2HB   ASP   2           HB1      ASP   2  86.198   5.126  -3.200
   16    H    ASP   3           HN       ASP   3  83.120   2.969  -0.963
   17    HA   ASP   3           HA       ASP   3  84.921   4.124   1.143
   18   1HB   ASP   3           HB2      ASP   3  82.598   5.220   0.356
   19   2HB   ASP   3           HB1      ASP   3  81.958   4.043   1.503
   20    H    ILE   4           HN       ILE   4  83.726   3.248   3.392
   21    HA   ILE   4           HA       ILE   4  84.338   0.440   3.500
   22    HB   ILE   4           HB       ILE   4  83.679   0.689   5.808
   23   1HG1  ILE   4          HG12      ILE   4  82.285   3.255   4.980
   24   2HG1  ILE   4          HG11      ILE   4  81.453   1.729   5.273
   25   1HG2  ILE   4          HG23      ILE   4  85.504   2.335   4.580
   26   2HG2  ILE   4          HG22      ILE   4  84.482   3.500   5.420
   27   3HG2  ILE   4          HG21      ILE   4  85.283   2.215   6.326
   28   1HD1  ILE   4          HD12      ILE   4  83.308   2.717   7.393
   29   2HD1  ILE   4          HD11      ILE   4  81.761   3.543   7.211
   30   3HD1  ILE   4          HD13      ILE   4  81.802   1.813   7.552
   31    H    TYR   5           HN       TYR   5  81.333   2.249   3.073
   32    HA   TYR   5           HA       TYR   5  79.514   0.071   3.574
   33   1HB   TYR   5           HB2      TYR   5  79.345   2.628   1.948
   34   2HB   TYR   5           HB1      TYR   5  77.955   1.608   2.320
   35    HD1  TYR   5           HD2      TYR   5  77.152   1.359   4.639
   36    HD2  TYR   5           HD1      TYR   5  80.421   3.969   3.661
   37    HE1  TYR   5           HE2      TYR   5  76.943   2.452   6.855
   38    HE2  TYR   5           HE1      TYR   5  80.213   5.061   5.878
   39    HH   TYR   5           HH       TYR   5  79.335   4.607   8.072
   40    H    LYS   6           HN       LYS   6  81.388   1.067   0.768
   41    HA   LYS   6           HA       LYS   6  80.067  -0.114  -1.379
   42   1HB   LYS   6           HB2      LYS   6  82.215   1.148  -1.411
   43   2HB   LYS   6           HB1      LYS   6  83.025  -0.253  -0.709
   44   1HG   LYS   6           HG2      LYS   6  82.056  -1.567  -2.718
   45   2HG   LYS   6           HG1      LYS   6  81.776   0.018  -3.440
   46   1HD   LYS   6           HD2      LYS   6  84.247   0.506  -2.890
   47   2HD   LYS   6           HD1      LYS   6  84.405  -1.233  -2.639
   48   1HE   LYS   6           HE2      LYS   6  84.819  -1.291  -4.891
   49   2HE   LYS   6           HE1      LYS   6  83.059  -1.121  -5.049
   50   1HZ   LYS   6           HZ2      LYS   6  84.851   1.209  -4.675
   51   2HZ   LYS   6           HZ1      LYS   6  84.446   0.622  -6.218
   52   3HZ   LYS   6           HZ3      LYS   6  83.231   1.204  -5.188
   53    H    ALA   7           HN       ALA   7  82.236  -1.754   0.949
   54    HA   ALA   7           HA       ALA   7  82.036  -4.372  -0.193
   55   1HB   ALA   7           HB2      ALA   7  83.009  -3.036   2.226
   56   2HB   ALA   7           HB1      ALA   7  82.425  -4.669   2.548
   57   3HB   ALA   7           HB3      ALA   7  83.696  -4.408   1.355
   58    H    ALA   8           HN       ALA   8  79.919  -2.551   1.942
   59    HA   ALA   8           HA       ALA   8  78.377  -4.542   3.165
   60   1HB   ALA   8           HB3      ALA   8  78.324  -1.853   2.979
   61   2HB   ALA   8           HB2      ALA   8  76.978  -2.229   1.903
   62   3HB   ALA   8           HB1      ALA   8  76.948  -2.778   3.579
   63    H    VAL   9           HN       VAL   9  78.097  -3.274  -0.159
   64    HA   VAL   9           HA       VAL   9  75.841  -5.041  -0.798
   65    HB   VAL   9           HB       VAL   9  77.637  -3.336  -2.555
   66   1HG1  VAL   9          HG13      VAL   9  75.477  -5.121  -3.124
   67   2HG1  VAL   9          HG12      VAL   9  74.912  -3.475  -3.407
   68   3HG1  VAL   9          HG11      VAL   9  76.345  -4.070  -4.244
   69   1HG2  VAL   9          HG21      VAL   9  75.494  -2.679  -0.628
   70   2HG2  VAL   9          HG23      VAL   9  76.770  -1.653  -1.284
   71   3HG2  VAL   9          HG22      VAL   9  75.303  -1.944  -2.219
   72    H    GLU  10           HN       GLU  10  79.342  -5.063  -1.152
   73    HA   GLU  10           HA       GLU  10  79.496  -7.151  -3.146
   74   1HB   GLU  10           HB2      GLU  10  81.187  -5.367  -1.885
   75   2HB   GLU  10           HB1      GLU  10  81.692  -6.913  -1.200
   76   1HG   GLU  10           HG2      GLU  10  82.997  -6.684  -3.165
   77   2HG   GLU  10           HG1      GLU  10  81.697  -7.784  -3.626
   78    H    GLN  11           HN       GLN  11  79.631  -7.155   0.426
   79    HA   GLN  11           HA       GLN  11  80.224  -9.892   0.840
   80   1HB   GLN  11           HB2      GLN  11  79.196  -7.590   2.286
   81   2HB   GLN  11           HB1      GLN  11  78.421  -9.075   2.837
   82   1HG   GLN  11           HG2      GLN  11  80.363  -9.933   3.693
   83   2HG   GLN  11           HG1      GLN  11  81.357  -9.215   2.425
   84   1HE2  GLN  11          HE22      GLN  11  82.061  -7.368   5.598
   85   2HE2  GLN  11          HE21      GLN  11  82.232  -8.977   5.083
   86    H    LEU  12           HN       LEU  12  77.100  -8.288   0.246
   87    HA   LEU  12           HA       LEU  12  75.374 -10.492   0.730
   88   1HB   LEU  12           HB2      LEU  12  75.236  -8.195  -1.251
   89   2HB   LEU  12           HB1      LEU  12  73.862  -9.208  -0.805
   90    HG   LEU  12           HG       LEU  12  75.504  -7.715   1.249
   91   1HD1  LEU  12          HD12      LEU  12  74.057  -6.451  -0.701
   92   2HD1  LEU  12          HD11      LEU  12  72.830  -6.680   0.544
   93   3HD1  LEU  12          HD13      LEU  12  74.313  -5.803   0.919
   94   1HD2  LEU  12          HD22      LEU  12  73.382  -9.638   1.327
   95   2HD2  LEU  12          HD21      LEU  12  74.169  -8.827   2.682
   96   3HD2  LEU  12          HD23      LEU  12  72.755  -8.099   1.920
   97    H    THR  13           HN       THR  13  74.950 -12.334  -0.451
   98    HA   THR  13           HA       THR  13  76.598 -12.906  -2.819
   99    HB   THR  13           HB       THR  13  74.978 -15.052  -2.491
  100    HG1  THR  13           HG1      THR  13  74.607 -15.174  -0.205
  101   1HG2  THR  13          HG23      THR  13  77.591 -14.399  -1.922
  102   2HG2  THR  13          HG22      THR  13  76.971 -14.875  -0.340
  103   3HG2  THR  13          HG21      THR  13  76.877 -15.996  -1.699
  104    H    GLU  14           HN       GLU  14  75.755 -13.304  -4.919
  105    HA   GLU  14           HA       GLU  14  73.780 -11.709  -6.009
  106   1HB   GLU  14           HB2      GLU  14  75.386 -13.888  -6.762
  107   2HB   GLU  14           HB1      GLU  14  73.743 -14.369  -7.188
  108   1HG   GLU  14           HG2      GLU  14  73.505 -12.053  -8.262
  109   2HG   GLU  14           HG1      GLU  14  75.257 -11.917  -8.099
  110    H    GLU  15           HN       GLU  15  73.301 -14.949  -4.583
  111    HA   GLU  15           HA       GLU  15  70.576 -15.343  -5.167
  112   1HB   GLU  15           HB2      GLU  15  72.463 -16.711  -3.889
  113   2HB   GLU  15           HB1      GLU  15  71.690 -16.016  -2.466
  114   1HG   GLU  15           HG2      GLU  15  69.475 -16.831  -3.678
  115   2HG   GLU  15           HG1      GLU  15  70.586 -17.953  -4.466
  116    H    GLN  16           HN       GLN  16  71.984 -13.700  -2.307
  117    HA   GLN  16           HA       GLN  16  69.363 -12.870  -1.316
  118   1HB   GLN  16           HB2      GLN  16  72.217 -12.108  -0.616
  119   2HB   GLN  16           HB1      GLN  16  70.802 -11.668   0.341
  120   1HG   GLN  16           HG2      GLN  16  70.364 -14.314   0.154
  121   2HG   GLN  16           HG1      GLN  16  72.123 -14.318   0.023
  122   1HE2  GLN  16          HE22      GLN  16  72.501 -13.903   3.488
  123   2HE2  GLN  16          HE21      GLN  16  73.107 -14.527   2.029
  124    H    LYS  17           HN       LYS  17  72.032 -11.352  -3.108
  125    HA   LYS  17           HA       LYS  17  71.086  -8.653  -3.011
  126   1HB   LYS  17           HB2      LYS  17  73.352  -9.461  -3.691
  127   2HB   LYS  17           HB1      LYS  17  72.646 -10.104  -5.175
  128   1HG   LYS  17           HG2      LYS  17  71.705  -7.637  -5.407
  129   2HG   LYS  17           HG1      LYS  17  73.072  -7.254  -4.359
  130   1HD   LYS  17           HD2      LYS  17  73.422  -8.950  -6.831
  131   2HD   LYS  17           HD1      LYS  17  73.478  -7.188  -6.911
  132   1HE   LYS  17           HE2      LYS  17  75.139  -7.647  -4.785
  133   2HE   LYS  17           HE1      LYS  17  75.464  -9.074  -5.790
  134   1HZ   LYS  17           HZ1      LYS  17  75.312  -6.331  -6.904
  135   2HZ   LYS  17           HZ3      LYS  17  76.771  -7.017  -6.377
  136   3HZ   LYS  17           HZ2      LYS  17  75.912  -7.731  -7.657
  137    H    ASN  18           HN       ASN  18  70.031 -11.423  -4.848
  138    HA   ASN  18           HA       ASN  18  68.726  -9.958  -6.992
  139   1HB   ASN  18           HB2      ASN  18  69.205 -12.677  -6.104
  140   2HB   ASN  18           HB1      ASN  18  67.533 -12.488  -6.634
  141   1HD2  ASN  18          HD22      ASN  18  70.388 -12.740  -9.414
  142   2HD2  ASN  18          HD21      ASN  18  70.612 -13.176  -7.788
  143    H    GLU  19           HN       GLU  19  67.620 -11.427  -3.927
  144    HA   GLU  19           HA       GLU  19  64.855 -11.083  -4.130
  145   1HB   GLU  19           HB2      GLU  19  66.907 -11.304  -2.062
  146   2HB   GLU  19           HB1      GLU  19  65.520 -10.359  -1.516
  147   1HG   GLU  19           HG2      GLU  19  64.028 -12.131  -1.796
  148   2HG   GLU  19           HG1      GLU  19  65.061 -12.944  -2.974
  149    H    PHE  20           HN       PHE  20  67.281  -8.642  -3.160
  150    HA   PHE  20           HA       PHE  20  65.353  -6.539  -2.677
  151   1HB   PHE  20           HB2      PHE  20  68.331  -6.742  -3.128
  152   2HB   PHE  20           HB1      PHE  20  67.553  -5.171  -2.933
  153    HD1  PHE  20           HD2      PHE  20  65.533  -5.507  -0.950
  154    HD2  PHE  20           HD1      PHE  20  69.400  -7.366  -1.151
  155    HE1  PHE  20           HE2      PHE  20  65.509  -5.823   1.509
  156    HE2  PHE  20           HE1      PHE  20  69.375  -7.682   1.309
  157    HZ   PHE  20           HZ       PHE  20  67.430  -6.911   2.640
  158    H    LYS  21           HN       LYS  21  67.354  -7.465  -5.478
  159    HA   LYS  21           HA       LYS  21  66.956  -5.284  -7.186
  160   1HB   LYS  21           HB2      LYS  21  68.379  -7.198  -7.692
  161   2HB   LYS  21           HB1      LYS  21  66.976  -8.266  -7.745
  162   1HG   LYS  21           HG2      LYS  21  66.264  -6.291  -9.528
  163   2HG   LYS  21           HG1      LYS  21  68.002  -6.426  -9.795
  164   1HD   LYS  21           HD2      LYS  21  67.756  -8.880 -10.065
  165   2HD   LYS  21           HD1      LYS  21  66.012  -8.714  -9.855
  166   1HE   LYS  21           HE2      LYS  21  67.450  -7.115 -11.975
  167   2HE   LYS  21           HE1      LYS  21  66.917  -8.779 -12.291
  168   1HZ   LYS  21           HZ3      LYS  21  65.064  -6.916 -10.983
  169   2HZ   LYS  21           HZ2      LYS  21  65.284  -6.792 -12.663
  170   3HZ   LYS  21           HZ1      LYS  21  64.725  -8.245 -11.981
  171    H    ALA  22           HN       ALA  22  64.836  -8.166  -6.904
  172    HA   ALA  22           HA       ALA  22  62.804  -7.163  -8.683
  173   1HB   ALA  22           HB3      ALA  22  63.167  -9.350  -6.682
  174   2HB   ALA  22           HB2      ALA  22  61.518  -8.978  -7.182
  175   3HB   ALA  22           HB1      ALA  22  62.717  -9.454  -8.383
  176    H    ALA  23           HN       ALA  23  63.513  -6.597  -5.313
  177    HA   ALA  23           HA       ALA  23  60.814  -5.559  -4.710
  178   1HB   ALA  23           HB3      ALA  23  63.382  -6.124  -3.292
  179   2HB   ALA  23           HB2      ALA  23  62.298  -4.938  -2.567
  180   3HB   ALA  23           HB1      ALA  23  61.738  -6.585  -2.855
  181    H    PHE  24           HN       PHE  24  63.718  -4.373  -6.071
  182    HA   PHE  24           HA       PHE  24  63.417  -1.611  -5.101
  183   1HB   PHE  24           HB2      PHE  24  65.616  -2.600  -5.499
  184   2HB   PHE  24           HB1      PHE  24  65.181  -2.959  -7.171
  185    HD1  PHE  24           HD1      PHE  24  65.920  -0.258  -4.755
  186    HD2  PHE  24           HD2      PHE  24  65.151  -1.246  -8.861
  187    HE1  PHE  24           HE1      PHE  24  66.655   2.011  -5.436
  188    HE2  PHE  24           HE2      PHE  24  65.886   1.022  -9.545
  189    HZ   PHE  24           HZ       PHE  24  66.637   2.650  -7.832
  190    H    ASP  25           HN       ASP  25  63.106  -3.317  -8.238
  191    HA   ASP  25           HA       ASP  25  62.196  -1.054  -9.741
  192   1HB   ASP  25           HB2      ASP  25  63.112  -3.306 -10.518
  193   2HB   ASP  25           HB1      ASP  25  61.514  -3.971 -10.176
  194    H    ILE  26           HN       ILE  26  60.662  -2.804  -7.267
  195    HA   ILE  26           HA       ILE  26  57.956  -2.933  -8.113
  196    HB   ILE  26           HB       ILE  26  59.143  -2.383  -5.375
  197   1HG1  ILE  26          HG12      ILE  26  60.156  -4.358  -6.348
  198   2HG1  ILE  26          HG11      ILE  26  58.961  -4.890  -5.166
  199   1HG2  ILE  26          HG22      ILE  26  56.603  -2.094  -5.769
  200   2HG2  ILE  26          HG21      ILE  26  56.576  -3.842  -6.000
  201   3HG2  ILE  26          HG23      ILE  26  57.106  -3.166  -4.460
  202   1HD1  ILE  26          HD11      ILE  26  57.308  -5.163  -7.015
  203   2HD1  ILE  26          HD13      ILE  26  58.572  -4.739  -8.170
  204   3HD1  ILE  26          HD12      ILE  26  58.715  -6.210  -7.205
  205    H    PHE  27           HN       PHE  27  59.893  -0.175  -7.100
  206    HA   PHE  27           HA       PHE  27  57.493   1.557  -7.534
  207   1HB   PHE  27           HB2      PHE  27  59.375   1.437  -5.175
  208   2HB   PHE  27           HB1      PHE  27  58.394   2.866  -5.505
  209    HD1  PHE  27           HD1      PHE  27  55.945   2.782  -5.363
  210    HD2  PHE  27           HD2      PHE  27  58.352  -0.666  -4.479
  211    HE1  PHE  27           HE1      PHE  27  53.988   1.687  -4.305
  212    HE2  PHE  27           HE2      PHE  27  56.394  -1.760  -3.421
  213    HZ   PHE  27           HZ       PHE  27  54.212  -0.585  -3.334
  214    H    VAL  28           HN       VAL  28  59.145   1.465  -9.603
  215    HA   VAL  28           HA       VAL  28  61.347   3.431  -9.307
  216    HB   VAL  28           HB       VAL  28  60.268   1.703 -11.554
  217   1HG1  VAL  28          HG13      VAL  28  62.408   3.819 -11.537
  218   2HG1  VAL  28          HG12      VAL  28  62.539   2.432 -12.617
  219   3HG1  VAL  28          HG11      VAL  28  61.158   3.519 -12.743
  220   1HG2  VAL  28          HG21      VAL  28  61.575   0.709  -9.587
  221   2HG2  VAL  28          HG23      VAL  28  62.221   0.381 -11.194
  222   3HG2  VAL  28          HG22      VAL  28  62.962   1.621 -10.182
  223    H    LEU  29           HN       LEU  29  58.403   4.122  -9.050
  224    HA   LEU  29           HA       LEU  29  57.121   5.402 -11.082
  225   1HB   LEU  29           HB2      LEU  29  56.763   5.371  -8.509
  226   2HB   LEU  29           HB1      LEU  29  57.707   6.860  -8.508
  227    HG   LEU  29           HG       LEU  29  55.450   6.612 -10.458
  228   1HD1  LEU  29          HD13      LEU  29  55.212   6.654  -7.505
  229   2HD1  LEU  29          HD12      LEU  29  54.229   7.841  -8.362
  230   3HD1  LEU  29          HD11      LEU  29  54.050   6.124  -8.721
  231   1HD2  LEU  29          HD23      LEU  29  57.268   8.564  -9.895
  232   2HD2  LEU  29          HD22      LEU  29  55.670   8.886 -10.568
  233   3HD2  LEU  29          HD21      LEU  29  55.943   9.041  -8.832
  234    H    GLY  30           HN       GLY  30  58.285   6.336 -12.768
  235   1HA   GLY  30           HA2      GLY  30  59.583   7.929 -13.896
  236   2HA   GLY  30           HA1      GLY  30  59.163   9.012 -12.569
  237    H    ALA  31           HN       ALA  31  60.902   9.798 -11.512
  238    HA   ALA  31           HA       ALA  31  63.031   9.861 -10.476
  239   1HB   ALA  31           HB1      ALA  31  62.015   7.352 -10.081
  240   2HB   ALA  31           HB3      ALA  31  63.511   6.975 -10.937
  241   3HB   ALA  31           HB2      ALA  31  63.564   7.895  -9.433
  242    H    GLU  32           HN       GLU  32  65.243   9.967 -11.192
  243    HA   GLU  32           HA       GLU  32  65.828  10.474 -13.836
  244   1HB   GLU  32           HB2      GLU  32  67.214  10.486 -11.573
  245   2HB   GLU  32           HB1      GLU  32  67.822   8.950 -12.195
  246   1HG   GLU  32           HG2      GLU  32  68.130  10.348 -14.426
  247   2HG   GLU  32           HG1      GLU  32  68.161  11.712 -13.306
  248    H    ASP  33           HN       ASP  33  66.208   7.269 -12.270
  249    HA   ASP  33           HA       ASP  33  65.344   5.805 -14.592
  250   1HB   ASP  33           HB2      ASP  33  67.576   5.015 -15.328
  251   2HB   ASP  33           HB1      ASP  33  67.443   6.768 -15.475
  252    H    GLY  34           HN       GLY  34  64.486   4.075 -13.503
  253   1HA   GLY  34           HA2      GLY  34  64.267   2.341 -11.933
  254   2HA   GLY  34           HA1      GLY  34  65.999   2.113 -12.184
  255    H    CYS  35           HN       CYS  35  63.865   4.469 -10.531
  256    HA   CYS  35           HA       CYS  35  65.497   4.116  -8.062
  257   1HB   CYS  35           HB2      CYS  35  64.994   6.683  -9.597
  258   2HB   CYS  35           HB1      CYS  35  65.580   6.658  -7.934
  259    HG   CYS  35           HG       CYS  35  67.237   5.035  -9.987
  260    H    ILE  36           HN       ILE  36  64.224   4.335  -6.201
  261    HA   ILE  36           HA       ILE  36  61.324   4.892  -6.663
  262    HB   ILE  36           HB       ILE  36  61.019   3.562  -4.640
  263   1HG1  ILE  36          HG12      ILE  36  64.024   3.280  -4.469
  264   2HG1  ILE  36          HG11      ILE  36  63.160   4.540  -3.586
  265   1HG2  ILE  36          HG23      ILE  36  62.216   2.639  -7.027
  266   2HG2  ILE  36          HG22      ILE  36  63.039   1.798  -5.714
  267   3HG2  ILE  36          HG21      ILE  36  61.285   1.693  -5.866
  268   1HD1  ILE  36          HD11      ILE  36  61.630   2.436  -2.907
  269   2HD1  ILE  36          HD13      ILE  36  63.157   1.592  -3.167
  270   3HD1  ILE  36          HD12      ILE  36  63.061   2.896  -1.985
  271    H    SER  37           HN       SER  37  60.208   6.038  -4.816
  272    HA   SER  37           HA       SER  37  61.746   8.439  -4.053
  273   1HB   SER  37           HB2      SER  37  59.274   8.137  -4.936
  274   2HB   SER  37           HB1      SER  37  58.919   7.822  -3.239
  275    HG   SER  37           HG       SER  37  60.273  10.099  -4.274
  276    H    THR  38           HN       THR  38  62.149   9.048  -1.877
  277    HA   THR  38           HA       THR  38  62.853   7.106   0.015
  278    HB   THR  38           HB       THR  38  62.718   9.040   1.612
  279    HG1  THR  38           HG1      THR  38  61.893  10.970   0.825
  280   1HG2  THR  38          HG22      THR  38  63.852   9.513  -1.152
  281   2HG2  THR  38          HG21      THR  38  64.181  10.575   0.218
  282   3HG2  THR  38          HG23      THR  38  64.697   8.889   0.265
  283    H    LYS  39           HN       LYS  39  59.728   8.777  -0.377
  284    HA   LYS  39           HA       LYS  39  58.461   7.707   1.966
  285   1HB   LYS  39           HB2      LYS  39  57.383   8.652  -0.711
  286   2HB   LYS  39           HB1      LYS  39  56.403   8.420   0.737
  287   1HG   LYS  39           HG2      LYS  39  56.976  10.465   1.472
  288   2HG   LYS  39           HG1      LYS  39  58.679  10.008   1.438
  289   1HD   LYS  39           HD2      LYS  39  58.817  10.607  -0.937
  290   2HD   LYS  39           HD1      LYS  39  57.102  11.016  -0.948
  291   1HE   LYS  39           HE2      LYS  39  57.636  13.112  -0.281
  292   2HE   LYS  39           HE1      LYS  39  58.299  12.438   1.222
  293   1HZ   LYS  39           HZ2      LYS  39  59.806  12.315  -1.318
  294   2HZ   LYS  39           HZ1      LYS  39  59.904  13.678  -0.309
  295   3HZ   LYS  39           HZ3      LYS  39  60.392  12.160   0.268
  296    H    GLU  40           HN       GLU  40  58.898   6.454  -1.311
  297    HA   GLU  40           HA       GLU  40  57.024   4.231  -0.949
  298   1HB   GLU  40           HB2      GLU  40  59.178   4.847  -2.999
  299   2HB   GLU  40           HB1      GLU  40  57.962   3.580  -3.165
  300   1HG   GLU  40           HG2      GLU  40  57.254   6.491  -2.728
  301   2HG   GLU  40           HG1      GLU  40  57.404   5.770  -4.331
  302    H    LEU  41           HN       LEU  41  60.516   4.749  -0.657
  303    HA   LEU  41           HA       LEU  41  61.500   2.124  -0.601
  304   1HB   LEU  41           HB2      LEU  41  62.876   4.138  -0.452
  305   2HB   LEU  41           HB1      LEU  41  62.175   4.535   1.116
  306    HG   LEU  41           HG       LEU  41  63.126   1.868   1.301
  307   1HD1  LEU  41          HD11      LEU  41  64.492   2.577  -0.738
  308   2HD1  LEU  41          HD13      LEU  41  65.294   3.738   0.321
  309   3HD1  LEU  41          HD12      LEU  41  65.423   2.011   0.649
  310   1HD2  LEU  41          HD21      LEU  41  63.745   4.554   2.459
  311   2HD2  LEU  41          HD23      LEU  41  63.227   3.075   3.270
  312   3HD2  LEU  41          HD22      LEU  41  64.903   3.254   2.748
  313    H    GLY  42           HN       GLY  42  60.119   3.978   2.141
  314   1HA   GLY  42           HA2      GLY  42  60.390   2.159   4.210
  315   2HA   GLY  42           HA1      GLY  42  58.951   3.164   4.025
  316    H    LYS  43           HN       LYS  43  57.561   2.232   2.003
  317    HA   LYS  43           HA       LYS  43  56.375  -0.193   2.861
  318   1HB   LYS  43           HB2      LYS  43  56.240   1.702   0.649
  319   2HB   LYS  43           HB1      LYS  43  55.906   0.055   0.110
  320   1HG   LYS  43           HG2      LYS  43  54.054  -0.175   1.520
  321   2HG   LYS  43           HG1      LYS  43  54.608   1.093   2.615
  322   1HD   LYS  43           HD2      LYS  43  52.781   2.023   1.368
  323   2HD   LYS  43           HD1      LYS  43  54.253   2.737   0.709
  324   1HE   LYS  43           HE2      LYS  43  54.108   1.538  -1.279
  325   2HE   LYS  43           HE1      LYS  43  53.211   0.204  -0.525
  326   1HZ   LYS  43           HZ1      LYS  43  52.146   2.960  -0.832
  327   2HZ   LYS  43           HZ3      LYS  43  51.800   1.692  -1.904
  328   3HZ   LYS  43           HZ2      LYS  43  51.301   1.593  -0.283
  329    H    VAL  44           HN       VAL  44  59.027   0.395   0.594
  330    HA   VAL  44           HA       VAL  44  59.133  -2.375  -0.350
  331    HB   VAL  44           HB       VAL  44  60.738   0.161  -0.640
  332   1HG1  VAL  44          HG13      VAL  44  61.739  -2.569  -0.924
  333   2HG1  VAL  44          HG12      VAL  44  61.850  -1.661  -2.431
  334   3HG1  VAL  44          HG11      VAL  44  62.620  -1.042  -0.970
  335   1HG2  VAL  44          HG23      VAL  44  58.598  -1.020  -2.006
  336   2HG2  VAL  44          HG22      VAL  44  59.593   0.319  -2.580
  337   3HG2  VAL  44          HG21      VAL  44  60.001  -1.337  -3.028
  338    H    MET  45           HN       MET  45  60.446  -0.567   2.321
  339    HA   MET  45           HA       MET  45  62.618  -2.503   2.838
  340   1HB   MET  45           HB2      MET  45  61.626   0.110   3.905
  341   2HB   MET  45           HB1      MET  45  62.618  -0.888   4.969
  342   1HG   MET  45           HG2      MET  45  63.647  -0.667   2.218
  343   2HG   MET  45           HG1      MET  45  63.620   0.857   3.104
  344   1HE   MET  45           HE2      MET  45  64.911   1.636   4.445
  345   2HE   MET  45           HE1      MET  45  64.941   0.778   5.984
  346   3HE   MET  45           HE3      MET  45  66.437   1.016   5.070
  347    H    ARG  46           HN       ARG  46  59.359  -1.786   3.966
  348    HA   ARG  46           HA       ARG  46  59.564  -3.519   6.327
  349   1HB   ARG  46           HB2      ARG  46  57.143  -2.936   6.492
  350   2HB   ARG  46           HB1      ARG  46  58.156  -1.508   6.278
  351   1HG   ARG  46           HG2      ARG  46  57.314  -1.061   4.213
  352   2HG   ARG  46           HG1      ARG  46  57.245  -2.766   3.765
  353   1HD   ARG  46           HD2      ARG  46  55.343  -2.358   5.860
  354   2HD   ARG  46           HD1      ARG  46  55.084  -1.103   4.632
  355    HE   ARG  46           HE       ARG  46  55.497  -3.400   3.141
  356   1HH1  ARG  46          HH11      ARG  46  52.923  -1.756   4.333
  357   2HH1  ARG  46          HH12      ARG  46  51.845  -3.107   4.459
  358   1HH2  ARG  46          HH21      ARG  46  54.318  -5.472   3.898
  359   2HH2  ARG  46          HH22      ARG  46  52.635  -5.210   4.212
  360    H    MET  47           HN       MET  47  58.920  -3.962   2.973
  361    HA   MET  47           HA       MET  47  57.141  -6.248   3.211
  362   1HB   MET  47           HB2      MET  47  58.769  -4.892   1.082
  363   2HB   MET  47           HB1      MET  47  58.060  -6.472   0.744
  364   1HG   MET  47           HG2      MET  47  56.044  -4.918   2.002
  365   2HG   MET  47           HG1      MET  47  56.775  -3.902   0.761
  366   1HE   MET  47           HE2      MET  47  57.310  -4.414  -1.294
  367   2HE   MET  47           HE1      MET  47  57.284  -6.024  -2.008
  368   3HE   MET  47           HE3      MET  47  55.990  -4.872  -2.366
  369    H    LEU  48           HN       LEU  48  60.612  -5.869   2.522
  370    HA   LEU  48           HA       LEU  48  61.072  -8.595   3.625
  371   1HB   LEU  48           HB2      LEU  48  62.562  -9.006   1.608
  372   2HB   LEU  48           HB1      LEU  48  60.836  -8.942   1.250
  373    HG   LEU  48           HG       LEU  48  61.376  -6.353   0.904
  374   1HD1  LEU  48          HD13      LEU  48  63.975  -7.616   1.137
  375   2HD1  LEU  48          HD12      LEU  48  63.776  -6.896  -0.461
  376   3HD1  LEU  48          HD11      LEU  48  63.583  -5.903   0.984
  377   1HD2  LEU  48          HD23      LEU  48  60.969  -8.606  -0.726
  378   2HD2  LEU  48          HD22      LEU  48  60.807  -6.915  -1.203
  379   3HD2  LEU  48          HD21      LEU  48  62.339  -7.757  -1.442
  380    H    GLY  49           HN       GLY  49  61.612  -5.629   4.249
  381   1HA   GLY  49           HA2      GLY  49  64.563  -5.945   4.667
  382   2HA   GLY  49           HA1      GLY  49  63.855  -4.391   4.226
  383    H    GLN  50           HN       GLN  50  62.841  -6.877   6.591
  384    HA   GLN  50           HA       GLN  50  62.371  -6.660   8.898
  385   1HB   GLN  50           HB2      GLN  50  64.731  -5.050   8.222
  386   2HB   GLN  50           HB1      GLN  50  63.914  -4.494   9.684
  387   1HG   GLN  50           HG2      GLN  50  65.577  -6.183  10.279
  388   2HG   GLN  50           HG1      GLN  50  63.959  -6.828  10.556
  389   1HE2  GLN  50          HE22      GLN  50  66.390  -8.652   7.900
  390   2HE2  GLN  50          HE21      GLN  50  66.919  -7.361   8.868
  391    H    ASN  51           HN       ASN  51  62.048  -4.477  10.536
  392    HA   ASN  51           HA       ASN  51  60.171  -2.660   9.064
  393   1HB   ASN  51           HB2      ASN  51  59.699  -3.974  11.758
  394   2HB   ASN  51           HB1      ASN  51  58.540  -3.027  10.823
  395   1HD2  ASN  51          HD22      ASN  51  57.457  -5.835   9.012
  396   2HD2  ASN  51          HD21      ASN  51  57.135  -4.266   9.578
  397    HA   PRO  52           HA       PRO  52  63.070  -0.305  11.788
  398   1HB   PRO  52           HB2      PRO  52  63.731   1.572   9.912
  399   2HB   PRO  52           HB1      PRO  52  64.578   0.019  10.064
  400   1HG   PRO  52           HG2      PRO  52  62.503   0.859   8.111
  401   2HG   PRO  52           HG1      PRO  52  63.920  -0.176   7.880
  402   1HD   PRO  52           HD2      PRO  52  61.354  -1.111   8.165
  403   2HD   PRO  52           HD1      PRO  52  62.811  -2.054   8.548
  404    H    THR  53           HN       THR  53  63.024   2.484  11.419
  405    HA   THR  53           HA       THR  53  60.115   3.103  11.819
  406    HB   THR  53           HB       THR  53  61.505   3.293  13.828
  407    HG1  THR  53           HG1      THR  53  60.277   4.954  14.134
  408   1HG2  THR  53          HG21      THR  53  63.417   4.283  11.920
  409   2HG2  THR  53          HG23      THR  53  63.195   5.478  13.200
  410   3HG2  THR  53          HG22      THR  53  63.674   3.830  13.605
  411    HA   PRO  54           HA       PRO  54  60.419   5.911   8.452
  412   1HB   PRO  54           HB2      PRO  54  58.495   7.723   9.166
  413   2HB   PRO  54           HB1      PRO  54  58.117   6.094   8.568
  414   1HG   PRO  54           HG2      PRO  54  58.140   7.127  11.357
  415   2HG   PRO  54           HG1      PRO  54  57.031   5.984  10.585
  416   1HD   PRO  54           HD2      PRO  54  59.061   5.236  12.253
  417   2HD   PRO  54           HD1      PRO  54  58.399   4.195  10.974
  418    H    GLU  55           HN       GLU  55  61.185   6.789  11.661
  419    HA   GLU  55           HA       GLU  55  61.816   9.605  11.138
  420   1HB   GLU  55           HB2      GLU  55  62.581   7.740  13.409
  421   2HB   GLU  55           HB1      GLU  55  62.629   9.503  13.449
  422   1HG   GLU  55           HG2      GLU  55  60.024   8.641  12.578
  423   2HG   GLU  55           HG1      GLU  55  60.435   7.829  14.088
  424    H    GLU  56           HN       GLU  56  63.726   6.630  11.733
  425    HA   GLU  56           HA       GLU  56  66.295   7.845  11.313
  426   1HB   GLU  56           HB2      GLU  56  65.084   5.223  11.733
  427   2HB   GLU  56           HB1      GLU  56  66.461   5.137  10.634
  428   1HG   GLU  56           HG2      GLU  56  66.817   6.823  13.055
  429   2HG   GLU  56           HG1      GLU  56  66.732   5.081  13.321
  430    H    LEU  57           HN       LEU  57  64.103   6.057   9.129
  431    HA   LEU  57           HA       LEU  57  65.600   5.777   6.825
  432   1HB   LEU  57           HB2      LEU  57  62.841   6.015   7.592
  433   2HB   LEU  57           HB1      LEU  57  63.081   6.884   6.076
  434    HG   LEU  57           HG       LEU  57  64.035   4.934   5.024
  435   1HD1  LEU  57          HD11      LEU  57  64.441   4.142   7.801
  436   2HD1  LEU  57          HD13      LEU  57  63.728   2.841   6.845
  437   3HD1  LEU  57          HD12      LEU  57  65.255   3.569   6.345
  438   1HD2  LEU  57          HD23      LEU  57  61.526   4.389   6.625
  439   2HD2  LEU  57          HD22      LEU  57  61.651   4.870   4.933
  440   3HD2  LEU  57          HD21      LEU  57  62.138   3.249   5.427
  441    H    GLN  58           HN       GLN  58  63.680   8.726   7.543
  442    HA   GLN  58           HA       GLN  58  64.637  10.335   5.434
  443   1HB   GLN  58           HB2      GLN  58  62.816  10.623   7.328
  444   2HB   GLN  58           HB1      GLN  58  64.122  11.454   8.174
  445   1HG   GLN  58           HG2      GLN  58  62.893  13.116   6.926
  446   2HG   GLN  58           HG1      GLN  58  64.439  12.874   6.111
  447   1HE2  GLN  58          HE22      GLN  58  62.944  11.787   3.115
  448   2HE2  GLN  58          HE21      GLN  58  64.354  12.288   3.920
  449    H    GLU  59           HN       GLU  59  65.954   9.969   8.740
  450    HA   GLU  59           HA       GLU  59  68.069  11.843   8.570
  451   1HB   GLU  59           HB2      GLU  59  67.136   9.740  10.258
  452   2HB   GLU  59           HB1      GLU  59  68.868   9.501  10.025
  453   1HG   GLU  59           HG2      GLU  59  67.864  12.264  10.606
  454   2HG   GLU  59           HG1      GLU  59  67.987  11.109  11.934
  455    H    MET  60           HN       MET  60  68.015   8.389   7.647
  456    HA   MET  60           HA       MET  60  70.771   8.251   6.830
  457   1HB   MET  60           HB2      MET  60  68.647   6.539   7.216
  458   2HB   MET  60           HB1      MET  60  68.814   6.523   5.460
  459   1HG   MET  60           HG2      MET  60  70.754   5.362   5.552
  460   2HG   MET  60           HG1      MET  60  71.392   6.383   6.840
  461   1HE   MET  60           HE3      MET  60  68.079   4.414   6.597
  462   2HE   MET  60           HE2      MET  60  69.243   3.309   5.870
  463   3HE   MET  60           HE1      MET  60  68.462   2.879   7.390
  464    H    ILE  61           HN       ILE  61  67.749   8.929   5.060
  465    HA   ILE  61           HA       ILE  61  68.965   9.075   2.446
  466    HB   ILE  61           HB       ILE  61  66.419  10.174   3.673
  467   1HG1  ILE  61          HG12      ILE  61  66.610   7.951   1.664
  468   2HG1  ILE  61          HG11      ILE  61  66.996   7.613   3.353
  469   1HG2  ILE  61          HG21      ILE  61  67.595  11.024   1.296
  470   2HG2  ILE  61          HG23      ILE  61  66.439   9.797   0.776
  471   3HG2  ILE  61          HG22      ILE  61  65.891  11.182   1.720
  472   1HD1  ILE  61          HD13      ILE  61  64.710   8.984   3.715
  473   2HD1  ILE  61          HD12      ILE  61  64.385   8.323   2.112
  474   3HD1  ILE  61          HD11      ILE  61  64.732   7.239   3.458
  475    H    ASP  62           HN       ASP  62  68.435  11.425   5.040
  476    HA   ASP  62           HA       ASP  62  68.862  13.846   3.647
  477   1HB   ASP  62           HB2      ASP  62  68.197  13.385   6.075
  478   2HB   ASP  62           HB1      ASP  62  69.916  13.159   6.401
  479    H    GLU  63           HN       GLU  63  71.256  11.630   5.111
  480    HA   GLU  63           HA       GLU  63  73.515  13.240   4.134
  481   1HB   GLU  63           HB2      GLU  63  74.786  11.330   5.187
  482   2HB   GLU  63           HB1      GLU  63  73.634  12.099   6.279
  483   1HG   GLU  63           HG2      GLU  63  72.150  10.309   6.199
  484   2HG   GLU  63           HG1      GLU  63  72.730   9.768   4.622
  485    H    VAL  64           HN       VAL  64  71.580  10.586   3.013
  486    HA   VAL  64           HA       VAL  64  73.610   9.615   1.102
  487    HB   VAL  64           HB       VAL  64  70.739   8.945   1.786
  488   1HG1  VAL  64          HG11      VAL  64  72.509   7.857  -0.415
  489   2HG1  VAL  64          HG13      VAL  64  71.126   6.966   0.222
  490   3HG1  VAL  64          HG12      VAL  64  70.883   8.525  -0.567
  491   1HG2  VAL  64          HG23      VAL  64  73.089   8.257   3.007
  492   2HG2  VAL  64          HG22      VAL  64  71.631   7.263   3.043
  493   3HG2  VAL  64          HG21      VAL  64  72.899   6.926   1.865
  494    H    ASP  65           HN       ASP  65  70.493  11.361   1.016
  495    HA   ASP  65           HA       ASP  65  70.795  11.810  -1.905
  496   1HB   ASP  65           HB2      ASP  65  68.644  12.230   0.176
  497   2HB   ASP  65           HB1      ASP  65  68.487  12.891  -1.453
  498    H    GLU  66           HN       GLU  66  72.733  13.122  -0.225
  499    HA   GLU  66           HA       GLU  66  72.031  15.817   0.450
  500   1HB   GLU  66           HB2      GLU  66  74.526  16.097   0.369
  501   2HB   GLU  66           HB1      GLU  66  74.020  14.673   1.280
  502   1HG   GLU  66           HG2      GLU  66  75.344  13.440  -0.063
  503   2HG   GLU  66           HG1      GLU  66  74.234  13.802  -1.384
  504    H    ASP  67           HN       ASP  67  72.346  14.301  -2.596
  505    HA   ASP  67           HA       ASP  67  73.324  16.606  -4.098
  506   1HB   ASP  67           HB2      ASP  67  72.926  15.158  -5.988
  507   2HB   ASP  67           HB1      ASP  67  73.528  14.141  -4.678
  508    H    GLY  68           HN       GLY  68  70.383  15.926  -2.599
  509   1HA   GLY  68           HA2      GLY  68  68.380  17.182  -2.658
  510   2HA   GLY  68           HA1      GLY  68  69.061  18.135  -3.977
  511    H    SER  69           HN       SER  69  67.862  14.822  -3.346
  512    HA   SER  69           HA       SER  69  66.482  14.938  -5.998
  513   1HB   SER  69           HB2      SER  69  68.818  13.651  -5.669
  514   2HB   SER  69           HB1      SER  69  67.736  12.387  -5.089
  515    HG   SER  69           HG       SER  69  66.531  13.082  -7.158
  516    H    GLY  70           HN       GLY  70  66.891  12.826  -3.123
  517   1HA   GLY  70           HA2      GLY  70  65.181  12.125  -1.616
  518   2HA   GLY  70           HA1      GLY  70  63.985  12.908  -2.651
  519    H    THR  71           HN       THR  71  66.383  10.730  -3.979
  520    HA   THR  71           HA       THR  71  64.342   8.555  -4.171
  521    HB   THR  71           HB       THR  71  64.899   8.418  -6.613
  522    HG1  THR  71           HG1      THR  71  66.215  10.873  -6.084
  523   1HG2  THR  71          HG22      THR  71  63.035   9.904  -5.493
  524   2HG2  THR  71          HG21      THR  71  64.036  11.238  -6.067
  525   3HG2  THR  71          HG23      THR  71  63.378  10.073  -7.215
  526    H    VAL  72           HN       VAL  72  65.277   6.550  -3.909
  527    HA   VAL  72           HA       VAL  72  68.249   6.443  -3.685
  528    HB   VAL  72           HB       VAL  72  67.502   4.102  -2.680
  529   1HG1  VAL  72          HG11      VAL  72  67.262   6.831  -1.430
  530   2HG1  VAL  72          HG13      VAL  72  67.079   5.356  -0.482
  531   3HG1  VAL  72          HG12      VAL  72  68.600   5.683  -1.314
  532   1HG2  VAL  72          HG23      VAL  72  65.060   4.740  -3.450
  533   2HG2  VAL  72          HG22      VAL  72  65.311   3.945  -1.896
  534   3HG2  VAL  72          HG21      VAL  72  65.053   5.688  -1.963
  535    H    ASP  73           HN       ASP  73  69.438   4.809  -4.737
  536    HA   ASP  73           HA       ASP  73  68.069   3.580  -7.099
  537   1HB   ASP  73           HB2      ASP  73  71.005   4.156  -6.575
  538   2HB   ASP  73           HB1      ASP  73  70.295   3.656  -8.111
  539    H    PHE  74           HN       PHE  74  69.268   1.415  -7.723
  540    HA   PHE  74           HA       PHE  74  68.943  -0.475  -5.618
  541   1HB   PHE  74           HB2      PHE  74  68.912  -0.833  -8.123
  542   2HB   PHE  74           HB1      PHE  74  70.671  -0.708  -8.101
  543    HD1  PHE  74           HD2      PHE  74  68.446  -2.272  -5.548
  544    HD2  PHE  74           HD1      PHE  74  71.376  -2.909  -8.623
  545    HE1  PHE  74           HE2      PHE  74  68.611  -4.659  -4.897
  546    HE2  PHE  74           HE1      PHE  74  71.540  -5.297  -7.973
  547    HZ   PHE  74           HZ       PHE  74  70.157  -6.172  -6.110
  548    H    ASP  75           HN       ASP  75  71.514   1.703  -6.247
  549    HA   ASP  75           HA       ASP  75  73.603   0.065  -4.968
  550   1HB   ASP  75           HB2      ASP  75  73.887   1.692  -6.904
  551   2HB   ASP  75           HB1      ASP  75  73.624   2.993  -5.742
  552    H    GLU  76           HN       GLU  76  71.510   2.822  -4.138
  553    HA   GLU  76           HA       GLU  76  72.831   3.189  -1.527
  554   1HB   GLU  76           HB2      GLU  76  70.326   4.407  -2.738
  555   2HB   GLU  76           HB1      GLU  76  71.218   5.029  -1.350
  556   1HG   GLU  76           HG2      GLU  76  73.017   5.741  -2.650
  557   2HG   GLU  76           HG1      GLU  76  72.663   4.598  -3.945
  558    H    PHE  77           HN       PHE  77  69.567   2.237  -2.682
  559    HA   PHE  77           HA       PHE  77  68.243   1.731  -0.314
  560   1HB   PHE  77           HB2      PHE  77  67.289   1.387  -2.532
  561   2HB   PHE  77           HB1      PHE  77  68.384   0.035  -2.827
  562    HD1  PHE  77           HD2      PHE  77  66.990   0.552   0.518
  563    HD2  PHE  77           HD1      PHE  77  66.477  -1.502  -3.220
  564    HE1  PHE  77           HE2      PHE  77  65.377  -0.995   1.590
  565    HE2  PHE  77           HE1      PHE  77  64.862  -3.048  -2.147
  566    HZ   PHE  77           HZ       PHE  77  64.312  -2.795   0.259
  567    H    LEU  78           HN       LEU  78  70.455  -0.592  -1.926
  568    HA   LEU  78           HA       LEU  78  70.311  -2.649   0.027
  569   1HB   LEU  78           HB2      LEU  78  71.982  -1.813  -2.227
  570   2HB   LEU  78           HB1      LEU  78  72.900  -2.679  -0.994
  571    HG   LEU  78           HG       LEU  78  70.575  -4.164  -1.176
  572   1HD1  LEU  78          HD13      LEU  78  69.903  -2.872  -3.180
  573   2HD1  LEU  78          HD12      LEU  78  71.422  -3.310  -3.962
  574   3HD1  LEU  78          HD11      LEU  78  70.233  -4.556  -3.581
  575   1HD2  LEU  78          HD22      LEU  78  73.369  -4.438  -1.675
  576   2HD2  LEU  78          HD21      LEU  78  72.196  -5.717  -1.360
  577   3HD2  LEU  78          HD23      LEU  78  72.515  -5.203  -3.015
  578    H    VAL  79           HN       VAL  79  72.598   0.094  -0.234
  579    HA   VAL  79           HA       VAL  79  74.180  -0.509   2.052
  580    HB   VAL  79           HB       VAL  79  73.373   2.167   0.863
  581   1HG1  VAL  79          HG12      VAL  79  75.721   1.294   2.571
  582   2HG1  VAL  79          HG11      VAL  79  75.655   2.832   1.712
  583   3HG1  VAL  79          HG13      VAL  79  74.487   2.483   2.986
  584   1HG2  VAL  79          HG22      VAL  79  74.477   0.141  -0.526
  585   2HG2  VAL  79          HG21      VAL  79  74.917   1.826  -0.811
  586   3HG2  VAL  79          HG23      VAL  79  75.941   0.806   0.199
  587    H    MET  80           HN       MET  80  71.220   1.475   1.748
  588    HA   MET  80           HA       MET  80  71.005   2.466   4.364
  589   1HB   MET  80           HB2      MET  80  69.140   1.639   2.177
  590   2HB   MET  80           HB1      MET  80  68.438   2.010   3.753
  591   1HG   MET  80           HG2      MET  80  70.219   4.084   3.409
  592   2HG   MET  80           HG1      MET  80  69.632   3.816   1.767
  593   1HE   MET  80           HE3      MET  80  68.444   5.170   1.005
  594   2HE   MET  80           HE2      MET  80  66.756   5.518   1.366
  595   3HE   MET  80           HE1      MET  80  68.020   6.562   2.012
  596    H    MET  81           HN       MET  81  69.966  -0.717   3.115
  597    HA   MET  81           HA       MET  81  68.834  -1.675   5.575
  598   1HB   MET  81           HB2      MET  81  69.415  -2.563   2.890
  599   2HB   MET  81           HB1      MET  81  69.871  -3.821   4.039
  600   1HG   MET  81           HG2      MET  81  67.203  -2.405   4.166
  601   2HG   MET  81           HG1      MET  81  67.448  -3.879   3.229
  602   1HE   MET  81           HE1      MET  81  66.487  -5.636   3.940
  603   2HE   MET  81           HE3      MET  81  68.026  -6.356   4.435
  604   3HE   MET  81           HE2      MET  81  66.614  -6.477   5.482
  605    H    VAL  82           HN       VAL  82  72.113  -1.807   4.211
  606    HA   VAL  82           HA       VAL  82  73.313  -3.648   5.992
  607    HB   VAL  82           HB       VAL  82  74.327  -1.135   4.631
  608   1HG1  VAL  82          HG12      VAL  82  75.686  -2.002   6.653
  609   2HG1  VAL  82          HG11      VAL  82  76.044  -3.402   5.642
  610   3HG1  VAL  82          HG13      VAL  82  76.545  -1.791   5.128
  611   1HG2  VAL  82          HG23      VAL  82  73.400  -3.216   3.354
  612   2HG2  VAL  82          HG22      VAL  82  74.955  -2.549   2.861
  613   3HG2  VAL  82          HG21      VAL  82  74.895  -3.994   3.870
  614    H    ARG  83           HN       ARG  83  72.077  -0.476   6.601
  615    HA   ARG  83           HA       ARG  83  73.605  -0.267   9.162
  616   1HB   ARG  83           HB2      ARG  83  73.140   1.530   7.172
  617   2HB   ARG  83           HB1      ARG  83  71.780   1.885   8.239
  618   1HG   ARG  83           HG2      ARG  83  73.289   3.203   9.324
  619   2HG   ARG  83           HG1      ARG  83  73.808   1.682  10.052
  620   1HD   ARG  83           HD2      ARG  83  75.661   1.476   8.608
  621   2HD   ARG  83           HD1      ARG  83  74.972   2.600   7.419
  622    HE   ARG  83           HE       ARG  83  76.073   4.277   8.657
  623   1HH1  ARG  83          HH21      ARG  83  74.338   4.883  10.711
  624   2HH1  ARG  83          HH22      ARG  83  75.064   4.302  12.172
  625   1HH2  ARG  83          HH11      ARG  83  77.269   2.177  10.544
  626   2HH2  ARG  83          HH12      ARG  83  76.724   2.770  12.078
  627    H    CYS  84           HN       CYS  84  70.484  -1.011   7.873
  628    HA   CYS  84           HA       CYS  84  68.865  -0.228  10.139
  629   1HB   CYS  84           HB2      CYS  84  68.542  -2.241   7.892
  630   2HB   CYS  84           HB1      CYS  84  67.246  -1.809   9.009
  631    HG   CYS  84           HG       CYS  84  67.985   0.778   8.051
  632    H    MET  85           HN       MET  85  70.923  -2.962   9.454
  633    HA   MET  85           HA       MET  85  69.908  -4.338  11.920
  634   1HB   MET  85           HB2      MET  85  70.639  -6.395  10.821
  635   2HB   MET  85           HB1      MET  85  69.612  -5.489   9.710
  636   1HG   MET  85           HG2      MET  85  71.568  -4.601   8.558
  637   2HG   MET  85           HG1      MET  85  72.642  -5.379   9.720
  638   1HE   MET  85           HE3      MET  85  71.354  -5.137   6.707
  639   2HE   MET  85           HE2      MET  85  71.830  -6.601   5.853
  640   3HE   MET  85           HE1      MET  85  70.174  -6.424   6.426
  641    H    LYS  86           HN       LYS  86  71.624  -5.464  13.179
  642    HA   LYS  86           HA       LYS  86  74.233  -3.994  13.023
  643   1HB   LYS  86           HB2      LYS  86  72.854  -5.397  15.335
  644   2HB   LYS  86           HB1      LYS  86  74.325  -4.429  15.442
  645   1HG   LYS  86           HG2      LYS  86  72.155  -2.999  14.107
  646   2HG   LYS  86           HG1      LYS  86  71.730  -3.478  15.750
  647   1HD   LYS  86           HD2      LYS  86  74.415  -2.534  15.811
  648   2HD   LYS  86           HD1      LYS  86  73.461  -1.352  14.915
  649   1HE   LYS  86           HE2      LYS  86  71.740  -1.753  16.922
  650   2HE   LYS  86           HE1      LYS  86  73.234  -2.181  17.779
  651   1HZ   LYS  86           HZ2      LYS  86  74.131  -0.083  16.553
  652   2HZ   LYS  86           HZ1      LYS  86  72.491   0.360  16.502
  653   3HZ   LYS  86           HZ3      LYS  86  73.250   0.091  17.995
  654    H    ASP  87           HN       ASP  87  76.142  -5.210  12.983
  655    HA   ASP  87           HA       ASP  87  75.946  -8.172  13.266
  656   1HB   ASP  87           HB2      ASP  87  75.875  -6.839  10.829
  657   2HB   ASP  87           HB1      ASP  87  77.572  -7.291  10.992
  658    H    ASP  88           HN       ASP  88  77.211  -5.913  14.816
  659    HA   ASP  88           HA       ASP  88  80.109  -6.538  14.449
  660   1HB   ASP  88           HB2      ASP  88  78.465  -4.312  15.604
  661   2HB   ASP  88           HB1      ASP  88  80.106  -4.545  16.207
  662    H    SER  89           HN       SER  89  81.348  -7.241  16.284
  663    HA   SER  89           HA       SER  89  79.717  -8.594  18.388
  664   1HB   SER  89           HB2      SER  89  82.305  -9.478  18.625
  665   2HB   SER  89           HB1      SER  89  81.093 -10.232  17.594
  666    HG   SER  89           HG       SER  89  82.570  -9.774  16.132
   
  No H/Q in entry =         666
  Start of MODEL    9
    1   1H    MET   1           HT2      MET   1  87.653  -1.160   6.590
    2   2H    MET   1           HT1      MET   1  89.038  -1.852   5.889
    3   3H    MET   1           HT3      MET   1  88.507  -2.377   7.413
    4    HA   MET   1           HA       MET   1  89.178  -0.408   8.473
    5   1HB   MET   1           HB2      MET   1  91.081  -1.302   6.287
    6   2HB   MET   1           HB1      MET   1  91.569  -0.280   7.639
    7   1HG   MET   1           HG2      MET   1  90.364  -3.054   7.862
    8   2HG   MET   1           HG1      MET   1  92.057  -2.641   8.130
    9   1HE   MET   1           HE1      MET   1  91.416  -4.129   9.905
   10   2HE   MET   1           HE3      MET   1  91.467  -3.433  11.531
   11   3HE   MET   1           HE2      MET   1  89.931  -3.943  10.835
   12    H    ASP   2           HN       ASP   2  88.544  -0.055   5.089
   13    HA   ASP   2           HA       ASP   2  89.038   2.899   5.294
   14   1HB   ASP   2           HB2      ASP   2  89.492   0.817   3.205
   15   2HB   ASP   2           HB1      ASP   2  89.011   2.420   2.645
   16    H    ASP   3           HN       ASP   3  87.047   0.573   3.418
   17    HA   ASP   3           HA       ASP   3  84.748   2.483   3.709
   18   1HB   ASP   3           HB2      ASP   3  86.021   1.118   1.439
   19   2HB   ASP   3           HB1      ASP   3  84.269   0.920   1.473
   20    H    ILE   4           HN       ILE   4  83.385   1.557   5.214
   21    HA   ILE   4           HA       ILE   4  83.160  -1.391   5.398
   22    HB   ILE   4           HB       ILE   4  82.080  -0.913   7.478
   23   1HG1  ILE   4          HG12      ILE   4  81.720   1.792   7.753
   24   2HG1  ILE   4          HG11      ILE   4  81.318   1.560   6.051
   25   1HG2  ILE   4          HG22      ILE   4  84.579  -0.071   7.006
   26   2HG2  ILE   4          HG21      ILE   4  83.849   1.489   7.386
   27   3HG2  ILE   4          HG23      ILE   4  83.794   0.179   8.565
   28   1HD1  ILE   4          HD12      ILE   4  79.891  -0.446   6.900
   29   2HD1  ILE   4          HD11      ILE   4  80.019   0.335   8.476
   30   3HD1  ILE   4          HD13      ILE   4  79.263   1.185   7.129
   31    H    TYR   5           HN       TYR   5  81.389   1.361   4.158
   32    HA   TYR   5           HA       TYR   5  78.805   0.012   3.996
   33   1HB   TYR   5           HB2      TYR   5  79.811   2.427   2.466
   34   2HB   TYR   5           HB1      TYR   5  78.144   2.050   2.904
   35    HD1  TYR   5           HD1      TYR   5  77.442   2.110   5.312
   36    HD2  TYR   5           HD2      TYR   5  81.295   3.494   4.013
   37    HE1  TYR   5           HE1      TYR   5  77.728   3.327   7.454
   38    HE2  TYR   5           HE2      TYR   5  81.580   4.710   6.155
   39    HH   TYR   5           HH       TYR   5  79.402   5.628   8.051
   40    H    LYS   6           HN       LYS   6  81.044   1.174   1.438
   41    HA   LYS   6           HA       LYS   6  79.937  -0.039  -0.796
   42   1HB   LYS   6           HB2      LYS   6  82.160   1.352  -0.278
   43   2HB   LYS   6           HB1      LYS   6  82.894  -0.250  -0.369
   44   1HG   LYS   6           HG2      LYS   6  82.043  -0.592  -2.602
   45   2HG   LYS   6           HG1      LYS   6  81.074   0.880  -2.512
   46   1HD   LYS   6           HD2      LYS   6  82.919   1.671  -3.674
   47   2HD   LYS   6           HD1      LYS   6  83.424   2.003  -2.016
   48   1HE   LYS   6           HE2      LYS   6  85.107   0.469  -2.112
   49   2HE   LYS   6           HE1      LYS   6  84.082  -0.724  -2.933
   50   1HZ   LYS   6           HZ3      LYS   6  85.162   1.721  -4.229
   51   2HZ   LYS   6           HZ2      LYS   6  85.867   0.181  -4.370
   52   3HZ   LYS   6           HZ1      LYS   6  84.308   0.463  -4.982
   53    H    ALA   7           HN       ALA   7  81.858  -1.587   1.752
   54    HA   ALA   7           HA       ALA   7  82.189  -4.131   0.435
   55   1HB   ALA   7           HB3      ALA   7  83.266  -2.946   2.567
   56   2HB   ALA   7           HB2      ALA   7  82.006  -3.845   3.411
   57   3HB   ALA   7           HB1      ALA   7  83.205  -4.704   2.445
   58    H    ALA   8           HN       ALA   8  79.553  -2.659   2.203
   59    HA   ALA   8           HA       ALA   8  78.121  -4.928   3.104
   60   1HB   ALA   8           HB1      ALA   8  77.723  -2.403   3.416
   61   2HB   ALA   8           HB3      ALA   8  76.900  -2.457   1.857
   62   3HB   ALA   8           HB2      ALA   8  76.286  -3.405   3.212
   63    H    VAL   9           HN       VAL   9  77.655  -3.173   0.005
   64    HA   VAL   9           HA       VAL   9  75.831  -5.008  -1.161
   65    HB   VAL   9           HB       VAL   9  77.939  -3.182  -2.357
   66   1HG1  VAL   9          HG13      VAL   9  75.928  -4.979  -3.573
   67   2HG1  VAL   9          HG12      VAL   9  75.929  -3.329  -4.198
   68   3HG1  VAL   9          HG11      VAL   9  77.400  -4.300  -4.270
   69   1HG2  VAL   9          HG21      VAL   9  75.066  -2.860  -1.505
   70   2HG2  VAL   9          HG23      VAL   9  76.450  -1.837  -1.122
   71   3HG2  VAL   9          HG22      VAL   9  75.758  -1.812  -2.744
   72    H    GLU  10           HN       GLU  10  79.392  -4.813  -1.557
   73    HA   GLU  10           HA       GLU  10  79.697  -7.087  -3.240
   74   1HB   GLU  10           HB2      GLU  10  81.331  -5.391  -1.441
   75   2HB   GLU  10           HB1      GLU  10  82.005  -6.984  -1.785
   76   1HG   GLU  10           HG2      GLU  10  80.905  -5.613  -4.148
   77   2HG   GLU  10           HG1      GLU  10  82.285  -4.792  -3.417
   78    H    GLN  11           HN       GLN  11  79.542  -6.816   0.303
   79    HA   GLN  11           HA       GLN  11  80.326  -9.455   0.997
   80   1HB   GLN  11           HB2      GLN  11  78.580  -7.305   2.159
   81   2HB   GLN  11           HB1      GLN  11  78.638  -8.880   2.950
   82   1HG   GLN  11           HG2      GLN  11  81.010  -8.727   3.277
   83   2HG   GLN  11           HG1      GLN  11  81.124  -7.310   2.232
   84   1HE2  GLN  11          HE22      GLN  11  81.109  -5.975   5.681
   85   2HE2  GLN  11          HE21      GLN  11  82.165  -6.875   4.700
   86    H    LEU  12           HN       LEU  12  77.303  -8.222  -0.313
   87    HA   LEU  12           HA       LEU  12  75.667 -10.518   0.341
   88   1HB   LEU  12           HB2      LEU  12  75.455  -8.411  -1.836
   89   2HB   LEU  12           HB1      LEU  12  74.140  -9.454  -1.292
   90    HG   LEU  12           HG       LEU  12  75.651  -7.585   0.550
   91   1HD1  LEU  12          HD12      LEU  12  73.750  -6.943  -1.478
   92   2HD1  LEU  12          HD11      LEU  12  72.944  -6.775   0.082
   93   3HD1  LEU  12          HD13      LEU  12  74.425  -5.875  -0.246
   94   1HD2  LEU  12          HD22      LEU  12  74.183  -9.734   1.223
   95   2HD2  LEU  12          HD21      LEU  12  74.176  -8.259   2.189
   96   3HD2  LEU  12          HD23      LEU  12  72.876  -8.566   1.039
   97    H    THR  13           HN       THR  13  74.700 -11.890  -1.495
   98    HA   THR  13           HA       THR  13  76.894 -12.738  -3.356
   99    HB   THR  13           HB       THR  13  75.346 -14.893  -3.231
  100    HG1  THR  13           HG1      THR  13  74.843 -13.685  -0.728
  101   1HG2  THR  13          HG21      THR  13  77.727 -14.405  -2.284
  102   2HG2  THR  13          HG23      THR  13  76.895 -14.237  -0.738
  103   3HG2  THR  13          HG22      THR  13  76.813 -15.760  -1.623
  104    H    GLU  14           HN       GLU  14  75.915 -13.875  -5.379
  105    HA   GLU  14           HA       GLU  14  74.389 -12.038  -6.909
  106   1HB   GLU  14           HB2      GLU  14  75.806 -13.736  -7.896
  107   2HB   GLU  14           HB1      GLU  14  74.867 -15.024  -7.140
  108   1HG   GLU  14           HG2      GLU  14  72.872 -14.283  -8.446
  109   2HG   GLU  14           HG1      GLU  14  73.886 -13.094  -9.263
  110    H    GLU  15           HN       GLU  15  73.336 -15.064  -5.304
  111    HA   GLU  15           HA       GLU  15  70.603 -14.986  -6.054
  112   1HB   GLU  15           HB2      GLU  15  72.089 -16.746  -4.819
  113   2HB   GLU  15           HB1      GLU  15  71.583 -15.903  -3.355
  114   1HG   GLU  15           HG2      GLU  15  69.187 -16.188  -4.154
  115   2HG   GLU  15           HG1      GLU  15  69.817 -17.270  -5.398
  116    H    GLN  16           HN       GLN  16  72.361 -13.138  -3.643
  117    HA   GLN  16           HA       GLN  16  70.020 -12.254  -2.154
  118   1HB   GLN  16           HB2      GLN  16  72.934 -11.891  -2.217
  119   2HB   GLN  16           HB1      GLN  16  72.067 -10.430  -1.744
  120   1HG   GLN  16           HG2      GLN  16  71.585 -13.154  -0.507
  121   2HG   GLN  16           HG1      GLN  16  72.643 -11.926   0.191
  122   1HE2  GLN  16          HE22      GLN  16  68.994 -11.678   1.409
  123   2HE2  GLN  16          HE21      GLN  16  69.956 -13.054   1.157
  124    H    LYS  17           HN       LYS  17  72.260 -10.471  -4.324
  125    HA   LYS  17           HA       LYS  17  70.905  -8.068  -4.595
  126   1HB   LYS  17           HB2      LYS  17  73.011  -9.352  -5.789
  127   2HB   LYS  17           HB1      LYS  17  71.866  -9.253  -7.127
  128   1HG   LYS  17           HG2      LYS  17  71.761  -6.889  -7.014
  129   2HG   LYS  17           HG1      LYS  17  72.483  -6.852  -5.405
  130   1HD   LYS  17           HD2      LYS  17  73.914  -7.777  -7.914
  131   2HD   LYS  17           HD1      LYS  17  74.096  -6.181  -7.184
  132   1HE   LYS  17           HE2      LYS  17  74.706  -7.473  -5.007
  133   2HE   LYS  17           HE1      LYS  17  74.969  -8.856  -6.090
  134   1HZ   LYS  17           HZ1      LYS  17  76.081  -6.191  -6.714
  135   2HZ   LYS  17           HZ3      LYS  17  76.922  -7.266  -5.707
  136   3HZ   LYS  17           HZ2      LYS  17  76.564  -7.709  -7.308
  137    H    ASN  18           HN       ASN  18  70.248 -11.070  -6.428
  138    HA   ASN  18           HA       ASN  18  68.119 -10.013  -8.031
  139   1HB   ASN  18           HB2      ASN  18  68.686 -12.823  -7.028
  140   2HB   ASN  18           HB1      ASN  18  67.653 -12.418  -8.399
  141   1HD2  ASN  18          HD22      ASN  18  71.415 -13.025  -9.252
  142   2HD2  ASN  18          HD21      ASN  18  70.502 -13.773  -8.031
  143    H    GLU  19           HN       GLU  19  68.252 -11.064  -4.705
  144    HA   GLU  19           HA       GLU  19  65.414 -11.604  -4.386
  145   1HB   GLU  19           HB2      GLU  19  67.673 -12.133  -2.993
  146   2HB   GLU  19           HB1      GLU  19  67.107 -10.719  -2.103
  147   1HG   GLU  19           HG2      GLU  19  65.116 -11.760  -1.450
  148   2HG   GLU  19           HG1      GLU  19  65.183 -12.932  -2.765
  149    H    PHE  20           HN       PHE  20  67.516  -8.786  -3.789
  150    HA   PHE  20           HA       PHE  20  65.363  -7.142  -2.710
  151   1HB   PHE  20           HB2      PHE  20  68.238  -7.046  -3.216
  152   2HB   PHE  20           HB1      PHE  20  67.455  -5.510  -3.587
  153    HD1  PHE  20           HD2      PHE  20  65.430  -5.020  -1.746
  154    HD2  PHE  20           HD1      PHE  20  69.090  -7.163  -1.058
  155    HE1  PHE  20           HE2      PHE  20  65.271  -4.513   0.676
  156    HE2  PHE  20           HE1      PHE  20  68.930  -6.656   1.364
  157    HZ   PHE  20           HZ       PHE  20  67.022  -5.332   2.232
  158    H    LYS  21           HN       LYS  21  66.884  -7.604  -5.875
  159    HA   LYS  21           HA       LYS  21  65.800  -5.354  -7.240
  160   1HB   LYS  21           HB2      LYS  21  67.586  -6.992  -7.975
  161   2HB   LYS  21           HB1      LYS  21  66.296  -8.147  -8.315
  162   1HG   LYS  21           HG2      LYS  21  65.376  -6.787 -10.026
  163   2HG   LYS  21           HG1      LYS  21  66.281  -5.369  -9.496
  164   1HD   LYS  21           HD2      LYS  21  67.934  -7.715 -10.214
  165   2HD   LYS  21           HD1      LYS  21  67.061  -6.973 -11.555
  166   1HE   LYS  21           HE2      LYS  21  67.972  -4.717 -10.614
  167   2HE   LYS  21           HE1      LYS  21  69.144  -5.737  -9.756
  168   1HZ   LYS  21           HZ3      LYS  21  69.523  -6.875 -11.940
  169   2HZ   LYS  21           HZ2      LYS  21  68.628  -5.634 -12.677
  170   3HZ   LYS  21           HZ1      LYS  21  70.078  -5.274 -11.868
  171    H    ALA  22           HN       ALA  22  64.500  -8.669  -6.865
  172    HA   ALA  22           HA       ALA  22  62.154  -8.384  -8.419
  173   1HB   ALA  22           HB2      ALA  22  63.279 -10.388  -7.153
  174   2HB   ALA  22           HB1      ALA  22  62.234  -9.900  -5.818
  175   3HB   ALA  22           HB3      ALA  22  61.527 -10.385  -7.359
  176    H    ALA  23           HN       ALA  23  62.973  -6.934  -5.376
  177    HA   ALA  23           HA       ALA  23  60.107  -6.223  -4.874
  178   1HB   ALA  23           HB2      ALA  23  62.611  -6.386  -3.194
  179   2HB   ALA  23           HB1      ALA  23  61.171  -5.549  -2.614
  180   3HB   ALA  23           HB3      ALA  23  61.099  -7.272  -2.989
  181    H    PHE  24           HN       PHE  24  63.389  -4.791  -4.963
  182    HA   PHE  24           HA       PHE  24  62.628  -2.077  -4.583
  183   1HB   PHE  24           HB2      PHE  24  64.911  -2.817  -4.405
  184   2HB   PHE  24           HB1      PHE  24  64.898  -3.442  -6.054
  185    HD1  PHE  24           HD2      PHE  24  64.439  -0.271  -4.115
  186    HD2  PHE  24           HD1      PHE  24  65.613  -2.087  -7.825
  187    HE1  PHE  24           HE2      PHE  24  65.188   1.939  -4.959
  188    HE2  PHE  24           HE1      PHE  24  66.362   0.122  -8.670
  189    HZ   PHE  24           HZ       PHE  24  66.149   2.134  -7.237
  190    H    ASP  25           HN       ASP  25  62.971  -3.987  -7.582
  191    HA   ASP  25           HA       ASP  25  62.439  -1.850  -9.413
  192   1HB   ASP  25           HB2      ASP  25  62.571  -4.804  -9.365
  193   2HB   ASP  25           HB1      ASP  25  61.576  -4.131 -10.658
  194    H    ILE  26           HN       ILE  26  60.377  -3.412  -7.179
  195    HA   ILE  26           HA       ILE  26  57.907  -3.183  -8.741
  196    HB   ILE  26           HB       ILE  26  58.440  -3.645  -5.793
  197   1HG1  ILE  26          HG12      ILE  26  58.197  -5.488  -8.183
  198   2HG1  ILE  26          HG11      ILE  26  59.519  -5.389  -7.019
  199   1HG2  ILE  26          HG22      ILE  26  56.028  -3.167  -7.225
  200   2HG2  ILE  26          HG21      ILE  26  56.061  -4.885  -6.834
  201   3HG2  ILE  26          HG23      ILE  26  56.200  -3.686  -5.549
  202   1HD1  ILE  26          HD11      ILE  26  57.176  -5.876  -5.516
  203   2HD1  ILE  26          HD13      ILE  26  57.119  -6.978  -6.890
  204   3HD1  ILE  26          HD12      ILE  26  58.510  -6.991  -5.805
  205    H    PHE  27           HN       PHE  27  59.828  -0.821  -7.586
  206    HA   PHE  27           HA       PHE  27  57.519   1.004  -7.124
  207   1HB   PHE  27           HB2      PHE  27  59.880   0.561  -5.271
  208   2HB   PHE  27           HB1      PHE  27  58.722   1.882  -5.098
  209    HD1  PHE  27           HD1      PHE  27  59.193  -1.774  -4.910
  210    HD2  PHE  27           HD2      PHE  27  56.443   1.479  -4.358
  211    HE1  PHE  27           HE1      PHE  27  57.647  -3.287  -3.698
  212    HE2  PHE  27           HE2      PHE  27  54.896  -0.034  -3.146
  213    HZ   PHE  27           HZ       PHE  27  55.498  -2.418  -2.816
  214    H    VAL  28           HN       VAL  28  59.719   0.541  -9.210
  215    HA   VAL  28           HA       VAL  28  61.221   3.106  -9.006
  216    HB   VAL  28           HB       VAL  28  61.368   0.744 -10.904
  217   1HG1  VAL  28          HG13      VAL  28  62.417   3.390 -11.117
  218   2HG1  VAL  28          HG12      VAL  28  63.765   2.305 -10.783
  219   3HG1  VAL  28          HG11      VAL  28  62.723   2.014 -12.176
  220   1HG2  VAL  28          HG23      VAL  28  62.836   1.523  -8.389
  221   2HG2  VAL  28          HG22      VAL  28  62.129  -0.036  -8.814
  222   3HG2  VAL  28          HG21      VAL  28  63.613   0.503  -9.599
  223    H    LEU  29           HN       LEU  29  58.272   2.881  -9.660
  224    HA   LEU  29           HA       LEU  29  57.520   3.152 -12.281
  225   1HB   LEU  29           HB2      LEU  29  55.721   4.486 -11.451
  226   2HB   LEU  29           HB1      LEU  29  56.195   3.450 -10.109
  227    HG   LEU  29           HG       LEU  29  56.929   6.364 -10.511
  228   1HD1  LEU  29          HD12      LEU  29  54.919   4.888  -8.974
  229   2HD1  LEU  29          HD11      LEU  29  55.873   5.996  -7.987
  230   3HD1  LEU  29          HD13      LEU  29  54.986   6.601  -9.386
  231   1HD2  LEU  29          HD22      LEU  29  57.861   4.360  -8.429
  232   2HD2  LEU  29          HD21      LEU  29  58.875   5.199  -9.602
  233   3HD2  LEU  29          HD23      LEU  29  58.099   6.101  -8.302
  234    H    GLY  30           HN       GLY  30  58.691   4.132 -13.849
  235   1HA   GLY  30           HA2      GLY  30  59.736   5.849 -15.066
  236   2HA   GLY  30           HA1      GLY  30  58.960   6.984 -13.959
  237    H    ALA  31           HN       ALA  31  60.360   8.158 -12.751
  238    HA   ALA  31           HA       ALA  31  62.286   8.712 -11.498
  239   1HB   ALA  31           HB3      ALA  31  61.595   6.329 -10.658
  240   2HB   ALA  31           HB2      ALA  31  62.993   5.784 -11.584
  241   3HB   ALA  31           HB1      ALA  31  63.205   6.932 -10.261
  242    H    GLU  32           HN       GLU  32  64.584   9.005 -11.865
  243    HA   GLU  32           HA       GLU  32  65.513   9.367 -14.431
  244   1HB   GLU  32           HB2      GLU  32  66.990   8.428 -11.953
  245   2HB   GLU  32           HB1      GLU  32  67.794   9.071 -13.386
  246   1HG   GLU  32           HG2      GLU  32  67.383  11.178 -12.718
  247   2HG   GLU  32           HG1      GLU  32  65.655  10.840 -12.619
  248    H    ASP  33           HN       ASP  33  66.665   6.535 -12.568
  249    HA   ASP  33           HA       ASP  33  66.026   4.668 -14.732
  250   1HB   ASP  33           HB2      ASP  33  68.020   6.043 -15.497
  251   2HB   ASP  33           HB1      ASP  33  68.927   5.336 -14.160
  252    H    GLY  34           HN       GLY  34  65.169   3.273 -13.139
  253   1HA   GLY  34           HA2      GLY  34  65.286   1.544 -11.550
  254   2HA   GLY  34           HA1      GLY  34  67.042   1.621 -11.698
  255    H    CYS  35           HN       CYS  35  64.660   4.060 -10.621
  256    HA   CYS  35           HA       CYS  35  66.072   4.124  -7.977
  257   1HB   CYS  35           HB2      CYS  35  65.081   6.513  -9.560
  258   2HB   CYS  35           HB1      CYS  35  66.088   6.539  -8.113
  259    HG   CYS  35           HG       CYS  35  67.292   5.065 -10.550
  260    H    ILE  36           HN       ILE  36  64.699   4.857  -6.208
  261    HA   ILE  36           HA       ILE  36  61.766   4.762  -6.845
  262    HB   ILE  36           HB       ILE  36  61.521   3.561  -4.723
  263   1HG1  ILE  36          HG12      ILE  36  64.537   3.645  -4.482
  264   2HG1  ILE  36          HG11      ILE  36  63.490   4.800  -3.658
  265   1HG2  ILE  36          HG23      ILE  36  63.680   2.516  -6.571
  266   2HG2  ILE  36          HG22      ILE  36  62.974   1.544  -5.279
  267   3HG2  ILE  36          HG21      ILE  36  61.960   2.130  -6.598
  268   1HD1  ILE  36          HD12      ILE  36  63.015   1.836  -3.398
  269   2HD1  ILE  36          HD11      ILE  36  64.191   2.654  -2.370
  270   3HD1  ILE  36          HD13      ILE  36  62.496   3.134  -2.322
  271    H    SER  37           HN       SER  37  60.440   5.885  -5.107
  272    HA   SER  37           HA       SER  37  61.530   8.543  -4.581
  273   1HB   SER  37           HB2      SER  37  59.139   7.784  -5.222
  274   2HB   SER  37           HB1      SER  37  58.963   7.351  -3.524
  275    HG   SER  37           HG       SER  37  59.659   9.897  -4.580
  276    H    THR  38           HN       THR  38  62.460   9.222  -2.679
  277    HA   THR  38           HA       THR  38  63.367   7.550  -0.635
  278    HB   THR  38           HB       THR  38  63.259   9.798   0.694
  279    HG1  THR  38           HG1      THR  38  62.558  11.505  -0.420
  280   1HG2  THR  38          HG21      THR  38  64.678   9.332  -1.923
  281   2HG2  THR  38          HG23      THR  38  64.963  10.795  -0.980
  282   3HG2  THR  38          HG22      THR  38  65.322   9.213  -0.286
  283    H    LYS  39           HN       LYS  39  60.182   9.033  -0.989
  284    HA   LYS  39           HA       LYS  39  59.331   8.298   1.725
  285   1HB   LYS  39           HB2      LYS  39  57.290   9.395   1.061
  286   2HB   LYS  39           HB1      LYS  39  58.622  10.330   0.381
  287   1HG   LYS  39           HG2      LYS  39  57.821  10.004  -1.694
  288   2HG   LYS  39           HG1      LYS  39  57.912   8.257  -1.473
  289   1HD   LYS  39           HD2      LYS  39  55.685   8.079  -1.109
  290   2HD   LYS  39           HD1      LYS  39  55.670   9.475  -0.031
  291   1HE   LYS  39           HE2      LYS  39  54.322  10.015  -1.991
  292   2HE   LYS  39           HE1      LYS  39  55.827  10.952  -2.091
  293   1HZ   LYS  39           HZ2      LYS  39  55.905   8.251  -3.169
  294   2HZ   LYS  39           HZ1      LYS  39  54.991   9.376  -4.056
  295   3HZ   LYS  39           HZ3      LYS  39  56.633   9.671  -3.751
  296    H    GLU  40           HN       GLU  40  59.931   6.382  -0.858
  297    HA   GLU  40           HA       GLU  40  57.503   4.686  -0.396
  298   1HB   GLU  40           HB2      GLU  40  57.598   4.108  -2.650
  299   2HB   GLU  40           HB1      GLU  40  58.235   5.749  -2.709
  300   1HG   GLU  40           HG2      GLU  40  59.810   4.562  -3.969
  301   2HG   GLU  40           HG1      GLU  40  60.556   4.580  -2.373
  302    H    LEU  41           HN       LEU  41  61.049   4.680  -0.594
  303    HA   LEU  41           HA       LEU  41  61.603   1.933  -0.435
  304   1HB   LEU  41           HB2      LEU  41  63.634   2.739   0.868
  305   2HB   LEU  41           HB1      LEU  41  63.346   3.585  -0.650
  306    HG   LEU  41           HG       LEU  41  61.912   5.182   0.948
  307   1HD1  LEU  41          HD11      LEU  41  63.905   3.786   2.728
  308   2HD1  LEU  41          HD13      LEU  41  63.362   5.428   3.070
  309   3HD1  LEU  41          HD12      LEU  41  62.196   4.106   3.032
  310   1HD2  LEU  41          HD22      LEU  41  63.928   5.713  -0.500
  311   2HD2  LEU  41          HD21      LEU  41  63.803   6.671   0.976
  312   3HD2  LEU  41          HD23      LEU  41  64.937   5.322   0.892
  313    H    GLY  42           HN       GLY  42  60.088   3.984   1.932
  314   1HA   GLY  42           HA2      GLY  42  60.671   2.510   4.305
  315   2HA   GLY  42           HA1      GLY  42  59.233   3.507   4.067
  316    H    LYS  43           HN       LYS  43  57.811   2.316   2.153
  317    HA   LYS  43           HA       LYS  43  56.656   0.011   3.401
  318   1HB   LYS  43           HB2      LYS  43  56.526   1.161   0.595
  319   2HB   LYS  43           HB1      LYS  43  55.449  -0.107   1.183
  320   1HG   LYS  43           HG2      LYS  43  54.189   1.364   2.348
  321   2HG   LYS  43           HG1      LYS  43  55.612   2.162   3.020
  322   1HD   LYS  43           HD2      LYS  43  55.760   3.681   1.272
  323   2HD   LYS  43           HD1      LYS  43  54.963   2.598   0.129
  324   1HE   LYS  43           HE2      LYS  43  52.941   2.965   1.916
  325   2HE   LYS  43           HE1      LYS  43  53.764   4.534   2.029
  326   1HZ   LYS  43           HZ2      LYS  43  53.271   3.261  -0.590
  327   2HZ   LYS  43           HZ1      LYS  43  52.068   4.207   0.149
  328   3HZ   LYS  43           HZ3      LYS  43  53.567   4.898  -0.242
  329    H    VAL  44           HN       VAL  44  59.042   0.391   0.806
  330    HA   VAL  44           HA       VAL  44  59.116  -2.392   0.023
  331    HB   VAL  44           HB       VAL  44  60.843   0.060  -0.302
  332   1HG1  VAL  44          HG11      VAL  44  61.594  -2.772  -0.738
  333   2HG1  VAL  44          HG13      VAL  44  61.926  -1.685  -2.086
  334   3HG1  VAL  44          HG12      VAL  44  62.620  -1.357  -0.498
  335   1HG2  VAL  44          HG21      VAL  44  58.759  -0.180  -1.627
  336   2HG2  VAL  44          HG23      VAL  44  60.190  -0.223  -2.658
  337   3HG2  VAL  44          HG22      VAL  44  59.348  -1.720  -2.256
  338    H    MET  45           HN       MET  45  60.656  -0.515   2.560
  339    HA   MET  45           HA       MET  45  62.783  -2.406   3.138
  340   1HB   MET  45           HB2      MET  45  61.572   0.063   4.265
  341   2HB   MET  45           HB1      MET  45  62.438  -0.961   5.412
  342   1HG   MET  45           HG2      MET  45  63.833  -0.565   2.843
  343   2HG   MET  45           HG1      MET  45  63.636   0.904   3.799
  344   1HE   MET  45           HE3      MET  45  65.138   1.683   5.005
  345   2HE   MET  45           HE2      MET  45  64.611   1.015   6.548
  346   3HE   MET  45           HE1      MET  45  66.311   0.927   6.093
  347    H    ARG  46           HN       ARG  46  59.647  -1.680   4.719
  348    HA   ARG  46           HA       ARG  46  59.866  -3.862   6.618
  349   1HB   ARG  46           HB2      ARG  46  57.653  -3.148   7.237
  350   2HB   ARG  46           HB1      ARG  46  58.537  -1.692   6.782
  351   1HG   ARG  46           HG2      ARG  46  57.560  -1.846   4.496
  352   2HG   ARG  46           HG1      ARG  46  56.618  -3.244   5.019
  353   1HD   ARG  46           HD2      ARG  46  56.467  -0.537   6.388
  354   2HD   ARG  46           HD1      ARG  46  55.334  -1.069   5.129
  355    HE   ARG  46           HE       ARG  46  54.929  -3.098   6.657
  356   1HH1  ARG  46          HH21      ARG  46  56.891  -2.321   8.773
  357   2HH1  ARG  46          HH22      ARG  46  55.882  -1.534   9.940
  358   1HH2  ARG  46          HH11      ARG  46  53.233  -1.097   7.745
  359   2HH2  ARG  46          HH12      ARG  46  53.810  -0.841   9.358
  360    H    MET  47           HN       MET  47  58.846  -3.619   3.310
  361    HA   MET  47           HA       MET  47  56.986  -5.786   3.167
  362   1HB   MET  47           HB2      MET  47  58.781  -4.245   1.348
  363   2HB   MET  47           HB1      MET  47  58.135  -5.766   0.732
  364   1HG   MET  47           HG2      MET  47  56.170  -4.038   2.113
  365   2HG   MET  47           HG1      MET  47  56.801  -3.392   0.598
  366   1HE   MET  47           HE2      MET  47  56.044  -3.573  -1.206
  367   2HE   MET  47           HE1      MET  47  56.376  -5.114  -1.989
  368   3HE   MET  47           HE3      MET  47  54.709  -4.550  -1.813
  369    H    LEU  48           HN       LEU  48  60.453  -5.715   3.516
  370    HA   LEU  48           HA       LEU  48  60.769  -8.539   2.674
  371   1HB   LEU  48           HB2      LEU  48  62.411  -6.149   3.127
  372   2HB   LEU  48           HB1      LEU  48  63.156  -7.621   3.750
  373    HG   LEU  48           HG       LEU  48  62.351  -8.584   1.393
  374   1HD1  LEU  48          HD13      LEU  48  62.351  -5.605   1.126
  375   2HD1  LEU  48          HD12      LEU  48  63.000  -6.555  -0.211
  376   3HD1  LEU  48          HD11      LEU  48  61.337  -6.803   0.322
  377   1HD2  LEU  48          HD22      LEU  48  64.805  -6.880   1.916
  378   2HD2  LEU  48          HD21      LEU  48  64.659  -8.625   2.125
  379   3HD2  LEU  48          HD23      LEU  48  64.622  -7.924   0.507
  380    H    GLY  49           HN       GLY  49  60.653  -6.579   5.607
  381   1HA   GLY  49           HA2      GLY  49  59.751  -8.152   7.515
  382   2HA   GLY  49           HA1      GLY  49  61.290  -8.976   7.254
  383    H    GLN  50           HN       GLN  50  60.555  -5.487   7.250
  384    HA   GLN  50           HA       GLN  50  62.398  -5.193   9.599
  385   1HB   GLN  50           HB2      GLN  50  62.325  -3.841   6.907
  386   2HB   GLN  50           HB1      GLN  50  63.032  -3.013   8.294
  387   1HG   GLN  50           HG2      GLN  50  64.934  -4.119   7.731
  388   2HG   GLN  50           HG1      GLN  50  64.163  -5.508   8.498
  389   1HE2  GLN  50          HE22      GLN  50  64.119  -5.286   4.385
  390   2HE2  GLN  50          HE21      GLN  50  64.218  -3.851   5.287
  391    H    ASN  51           HN       ASN  51  61.655  -3.755  11.157
  392    HA   ASN  51           HA       ASN  51  59.348  -1.981  10.465
  393   1HB   ASN  51           HB2      ASN  51  59.578  -4.004  12.714
  394   2HB   ASN  51           HB1      ASN  51  58.310  -2.781  12.629
  395   1HD2  ASN  51          HD22      ASN  51  58.172  -6.014  10.128
  396   2HD2  ASN  51          HD21      ASN  51  59.561  -5.712  11.056
  397    HA   PRO  52           HA       PRO  52  62.687  -0.192  13.281
  398   1HB   PRO  52           HB2      PRO  52  63.786   1.576  11.504
  399   2HB   PRO  52           HB1      PRO  52  64.377  -0.085  11.707
  400   1HG   PRO  52           HG2      PRO  52  62.625   1.054   9.593
  401   2HG   PRO  52           HG1      PRO  52  63.900  -0.167   9.467
  402   1HD   PRO  52           HD2      PRO  52  61.225  -0.749   9.501
  403   2HD   PRO  52           HD1      PRO  52  62.494  -1.877  10.028
  404    H    THR  53           HN       THR  53  62.110   2.305  10.886
  405    HA   THR  53           HA       THR  53  59.681   3.401  11.947
  406    HB   THR  53           HB       THR  53  60.989   3.638  13.979
  407    HG1  THR  53           HG1      THR  53  59.877   5.437  13.910
  408   1HG2  THR  53          HG22      THR  53  63.144   3.849  12.255
  409   2HG2  THR  53          HG21      THR  53  62.999   5.481  12.911
  410   3HG2  THR  53          HG23      THR  53  63.200   4.108  14.000
  411    HA   PRO  54           HA       PRO  54  60.352   5.885   8.383
  412   1HB   PRO  54           HB2      PRO  54  58.545   7.882   8.867
  413   2HB   PRO  54           HB1      PRO  54  58.066   6.244   8.379
  414   1HG   PRO  54           HG2      PRO  54  58.039   7.499  11.072
  415   2HG   PRO  54           HG1      PRO  54  56.897   6.359  10.344
  416   1HD   PRO  54           HD2      PRO  54  58.821   5.657  12.167
  417   2HD   PRO  54           HD1      PRO  54  58.116   4.539  10.979
  418    H    GLU  55           HN       GLU  55  60.797   7.133  11.594
  419    HA   GLU  55           HA       GLU  55  61.769   9.771  10.855
  420   1HB   GLU  55           HB2      GLU  55  60.817   9.170  13.058
  421   2HB   GLU  55           HB1      GLU  55  62.157   8.055  13.330
  422   1HG   GLU  55           HG2      GLU  55  63.357  10.497  12.611
  423   2HG   GLU  55           HG1      GLU  55  62.065  10.922  13.736
  424    H    GLU  56           HN       GLU  56  63.162   6.584  10.936
  425    HA   GLU  56           HA       GLU  56  65.945   7.544  11.076
  426   1HB   GLU  56           HB2      GLU  56  64.446   5.109  11.398
  427   2HB   GLU  56           HB1      GLU  56  65.738   4.837  10.227
  428   1HG   GLU  56           HG2      GLU  56  67.421   5.340  11.760
  429   2HG   GLU  56           HG1      GLU  56  66.348   6.308  12.772
  430    H    LEU  57           HN       LEU  57  63.951   5.815   8.645
  431    HA   LEU  57           HA       LEU  57  65.685   5.709   6.487
  432   1HB   LEU  57           HB2      LEU  57  62.743   6.186   6.831
  433   2HB   LEU  57           HB1      LEU  57  63.426   6.268   5.206
  434    HG   LEU  57           HG       LEU  57  64.309   4.022   5.395
  435   1HD1  LEU  57          HD12      LEU  57  63.242   4.111   8.234
  436   2HD1  LEU  57          HD11      LEU  57  63.932   2.688   7.454
  437   3HD1  LEU  57          HD13      LEU  57  64.943   4.099   7.767
  438   1HD2  LEU  57          HD21      LEU  57  61.723   4.549   5.070
  439   2HD2  LEU  57          HD23      LEU  57  62.294   2.886   5.206
  440   3HD2  LEU  57          HD22      LEU  57  61.589   3.693   6.606
  441    H    GLN  58           HN       GLN  58  63.557   8.497   7.251
  442    HA   GLN  58           HA       GLN  58  64.567  10.217   5.197
  443   1HB   GLN  58           HB2      GLN  58  63.023  10.444   7.748
  444   2HB   GLN  58           HB1      GLN  58  63.652  11.932   7.040
  445   1HG   GLN  58           HG2      GLN  58  62.103   9.915   5.407
  446   2HG   GLN  58           HG1      GLN  58  61.304  11.217   6.291
  447   1HE2  GLN  58          HE22      GLN  58  63.125  12.035   2.784
  448   2HE2  GLN  58          HE21      GLN  58  62.972  10.450   3.374
  449    H    GLU  59           HN       GLU  59  65.572   9.692   8.569
  450    HA   GLU  59           HA       GLU  59  67.422  11.848   8.799
  451   1HB   GLU  59           HB2      GLU  59  66.517  10.331  10.597
  452   2HB   GLU  59           HB1      GLU  59  67.589   9.065   9.997
  453   1HG   GLU  59           HG2      GLU  59  69.430  10.019  10.923
  454   2HG   GLU  59           HG1      GLU  59  68.927  11.647  10.466
  455    H    MET  60           HN       MET  60  67.672   8.736   7.182
  456    HA   MET  60           HA       MET  60  70.600   8.971   6.843
  457   1HB   MET  60           HB2      MET  60  68.631   6.999   5.650
  458   2HB   MET  60           HB1      MET  60  70.366   6.773   5.864
  459   1HG   MET  60           HG2      MET  60  69.206   7.474   8.395
  460   2HG   MET  60           HG1      MET  60  68.295   6.134   7.700
  461   1HE   MET  60           HE1      MET  60  68.580   4.236   7.820
  462   2HE   MET  60           HE3      MET  60  70.021   3.328   7.345
  463   3HE   MET  60           HE2      MET  60  69.628   3.534   9.050
  464    H    ILE  61           HN       ILE  61  67.808   8.620   4.611
  465    HA   ILE  61           HA       ILE  61  69.001   9.134   2.172
  466    HB   ILE  61           HB       ILE  61  66.380  10.075   3.362
  467   1HG1  ILE  61          HG12      ILE  61  66.864   7.930   1.291
  468   2HG1  ILE  61          HG11      ILE  61  67.000   7.587   3.015
  469   1HG2  ILE  61          HG21      ILE  61  67.050  11.517   1.431
  470   2HG2  ILE  61          HG23      ILE  61  67.186  10.067   0.437
  471   3HG2  ILE  61          HG22      ILE  61  65.619  10.544   1.092
  472   1HD1  ILE  61          HD13      ILE  61  64.657   8.733   3.175
  473   2HD1  ILE  61          HD12      ILE  61  64.572   8.411   1.442
  474   3HD1  ILE  61          HD11      ILE  61  64.754   7.076   2.580
  475    H    ASP  62           HN       ASP  62  68.142  11.540   4.650
  476    HA   ASP  62           HA       ASP  62  68.564  13.939   3.268
  477   1HB   ASP  62           HB2      ASP  62  68.406  12.968   5.953
  478   2HB   ASP  62           HB1      ASP  62  69.768  14.087   5.865
  479    H    GLU  63           HN       GLU  63  71.022  11.865   4.837
  480    HA   GLU  63           HA       GLU  63  73.180  13.551   3.670
  481   1HB   GLU  63           HB2      GLU  63  73.189  11.224   5.623
  482   2HB   GLU  63           HB1      GLU  63  74.589  12.217   5.214
  483   1HG   GLU  63           HG2      GLU  63  73.970  13.773   6.714
  484   2HG   GLU  63           HG1      GLU  63  72.392  13.929   5.940
  485    H    VAL  64           HN       VAL  64  71.506  10.585   3.109
  486    HA   VAL  64           HA       VAL  64  73.716   9.306   1.635
  487    HB   VAL  64           HB       VAL  64  70.823   8.694   2.260
  488   1HG1  VAL  64          HG13      VAL  64  72.689   7.331   0.321
  489   2HG1  VAL  64          HG12      VAL  64  71.424   6.424   1.152
  490   3HG1  VAL  64          HG11      VAL  64  70.995   7.769   0.096
  491   1HG2  VAL  64          HG23      VAL  64  73.529   7.632   3.058
  492   2HG2  VAL  64          HG22      VAL  64  72.201   8.155   4.092
  493   3HG2  VAL  64          HG21      VAL  64  72.091   6.625   3.222
  494    H    ASP  65           HN       ASP  65  70.631  10.938   0.905
  495    HA   ASP  65           HA       ASP  65  70.754  10.510  -1.952
  496   1HB   ASP  65           HB2      ASP  65  68.656  10.968  -0.897
  497   2HB   ASP  65           HB1      ASP  65  69.292  12.411  -0.104
  498    H    GLU  66           HN       GLU  66  73.090  11.176  -2.228
  499    HA   GLU  66           HA       GLU  66  73.921  13.915  -1.806
  500   1HB   GLU  66           HB2      GLU  66  74.907  11.592  -3.483
  501   2HB   GLU  66           HB1      GLU  66  75.779  13.122  -3.371
  502   1HG   GLU  66           HG2      GLU  66  75.251  12.540  -0.723
  503   2HG   GLU  66           HG1      GLU  66  75.570  10.947  -1.412
  504    H    ASP  67           HN       ASP  67  72.829  12.107  -4.697
  505    HA   ASP  67           HA       ASP  67  72.121  14.729  -5.957
  506   1HB   ASP  67           HB2      ASP  67  74.071  12.665  -6.762
  507   2HB   ASP  67           HB1      ASP  67  72.981  13.169  -8.053
  508    H    GLY  68           HN       GLY  68  70.655  12.331  -4.667
  509   1HA   GLY  68           HA2      GLY  68  69.188  11.186  -6.946
  510   2HA   GLY  68           HA1      GLY  68  68.904  10.823  -5.242
  511    H    SER  69           HN       SER  69  68.915  13.893  -4.827
  512    HA   SER  69           HA       SER  69  67.251  15.564  -4.649
  513   1HB   SER  69           HB2      SER  69  67.501  14.714  -7.304
  514   2HB   SER  69           HB1      SER  69  65.764  14.710  -7.010
  515    HG   SER  69           HG       SER  69  66.344  16.879  -5.964
  516    H    GLY  70           HN       GLY  70  66.751  13.150  -3.212
  517   1HA   GLY  70           HA2      GLY  70  64.856  12.492  -1.908
  518   2HA   GLY  70           HA1      GLY  70  63.803  13.267  -3.092
  519    H    THR  71           HN       THR  71  66.308  11.164  -4.249
  520    HA   THR  71           HA       THR  71  64.401   8.886  -4.508
  521    HB   THR  71           HB       THR  71  64.620   8.878  -6.896
  522    HG1  THR  71           HG1      THR  71  66.806  10.487  -6.300
  523   1HG2  THR  71          HG23      THR  71  63.096  10.617  -5.961
  524   2HG2  THR  71          HG22      THR  71  64.419  11.780  -6.045
  525   3HG2  THR  71          HG21      THR  71  63.770  11.074  -7.525
  526    H    VAL  72           HN       VAL  72  65.483   6.987  -4.137
  527    HA   VAL  72           HA       VAL  72  68.475   7.045  -4.203
  528    HB   VAL  72           HB       VAL  72  68.041   4.917  -2.750
  529   1HG1  VAL  72          HG12      VAL  72  67.822   7.793  -2.090
  530   2HG1  VAL  72          HG11      VAL  72  67.300   6.673  -0.833
  531   3HG1  VAL  72          HG13      VAL  72  68.941   6.572  -1.476
  532   1HG2  VAL  72          HG23      VAL  72  65.555   4.966  -3.403
  533   2HG2  VAL  72          HG22      VAL  72  65.918   4.749  -1.691
  534   3HG2  VAL  72          HG21      VAL  72  65.407   6.327  -2.292
  535    H    ASP  73           HN       ASP  73  69.569   5.146  -5.014
  536    HA   ASP  73           HA       ASP  73  67.969   3.613  -7.036
  537   1HB   ASP  73           HB2      ASP  73  70.919   4.343  -6.959
  538   2HB   ASP  73           HB1      ASP  73  70.093   3.529  -8.287
  539    H    PHE  74           HN       PHE  74  69.591   1.506  -7.536
  540    HA   PHE  74           HA       PHE  74  69.352  -0.139  -5.180
  541   1HB   PHE  74           HB2      PHE  74  69.701  -0.440  -7.931
  542   2HB   PHE  74           HB1      PHE  74  71.204  -1.066  -7.253
  543    HD1  PHE  74           HD2      PHE  74  69.890  -1.875  -4.540
  544    HD2  PHE  74           HD1      PHE  74  68.873  -2.623  -8.646
  545    HE1  PHE  74           HE2      PHE  74  68.723  -3.959  -3.872
  546    HE2  PHE  74           HE1      PHE  74  67.706  -4.707  -7.977
  547    HZ   PHE  74           HZ       PHE  74  67.632  -5.374  -5.590
  548    H    ASP  75           HN       ASP  75  71.692   2.143  -6.108
  549    HA   ASP  75           HA       ASP  75  73.975   0.807  -4.800
  550   1HB   ASP  75           HB2      ASP  75  73.698   2.579  -6.843
  551   2HB   ASP  75           HB1      ASP  75  74.026   3.692  -5.513
  552    H    GLU  76           HN       GLU  76  71.727   3.496  -4.161
  553    HA   GLU  76           HA       GLU  76  73.023   4.141  -1.596
  554   1HB   GLU  76           HB2      GLU  76  70.431   5.087  -2.863
  555   2HB   GLU  76           HB1      GLU  76  71.290   5.874  -1.539
  556   1HG   GLU  76           HG2      GLU  76  72.817   5.343  -4.050
  557   2HG   GLU  76           HG1      GLU  76  71.629   6.646  -4.076
  558    H    PHE  77           HN       PHE  77  69.760   2.996  -2.589
  559    HA   PHE  77           HA       PHE  77  68.692   2.502  -0.036
  560   1HB   PHE  77           HB2      PHE  77  67.495   2.392  -2.201
  561   2HB   PHE  77           HB1      PHE  77  68.364   0.909  -2.599
  562    HD1  PHE  77           HD2      PHE  77  66.857   2.069   0.624
  563    HD2  PHE  77           HD1      PHE  77  66.795  -0.840  -2.535
  564    HE1  PHE  77           HE2      PHE  77  65.171   0.748   1.873
  565    HE2  PHE  77           HE1      PHE  77  65.108  -2.161  -1.286
  566    HZ   PHE  77           HZ       PHE  77  64.295  -1.367   0.919
  567    H    LEU  78           HN       LEU  78  71.243   0.809  -1.671
  568    HA   LEU  78           HA       LEU  78  70.967  -1.725  -0.272
  569   1HB   LEU  78           HB2      LEU  78  72.739  -0.381  -2.189
  570   2HB   LEU  78           HB1      LEU  78  73.600  -1.464  -1.095
  571    HG   LEU  78           HG       LEU  78  71.167  -2.212  -2.743
  572   1HD1  LEU  78          HD12      LEU  78  73.415  -1.837  -3.938
  573   2HD1  LEU  78          HD11      LEU  78  73.992  -3.242  -3.039
  574   3HD1  LEU  78          HD13      LEU  78  72.647  -3.408  -4.168
  575   1HD2  LEU  78          HD23      LEU  78  72.013  -3.312  -0.365
  576   2HD2  LEU  78          HD22      LEU  78  71.107  -4.180  -1.604
  577   3HD2  LEU  78          HD21      LEU  78  72.865  -4.303  -1.549
  578    H    VAL  79           HN       VAL  79  73.124   1.108   0.142
  579    HA   VAL  79           HA       VAL  79  74.554   0.123   2.408
  580    HB   VAL  79           HB       VAL  79  73.811   2.957   1.606
  581   1HG1  VAL  79          HG13      VAL  79  75.972   1.804   3.387
  582   2HG1  VAL  79          HG12      VAL  79  76.052   3.435   2.724
  583   3HG1  VAL  79          HG11      VAL  79  74.740   2.991   3.815
  584   1HG2  VAL  79          HG21      VAL  79  76.140   1.174   0.819
  585   2HG2  VAL  79          HG23      VAL  79  74.852   1.739  -0.245
  586   3HG2  VAL  79          HG22      VAL  79  76.011   2.888   0.423
  587    H    MET  80           HN       MET  80  71.499   1.929   2.153
  588    HA   MET  80           HA       MET  80  71.150   2.503   4.932
  589   1HB   MET  80           HB2      MET  80  69.537   2.367   2.441
  590   2HB   MET  80           HB1      MET  80  68.625   2.280   3.949
  591   1HG   MET  80           HG2      MET  80  69.870   4.332   4.728
  592   2HG   MET  80           HG1      MET  80  70.557   4.459   3.109
  593   1HE   MET  80           HE1      MET  80  69.443   4.269   1.172
  594   2HE   MET  80           HE3      MET  80  67.729   4.512   0.806
  595   3HE   MET  80           HE2      MET  80  68.799   5.900   0.992
  596    H    MET  81           HN       MET  81  70.266  -0.337   2.973
  597    HA   MET  81           HA       MET  81  68.775  -1.671   5.065
  598   1HB   MET  81           HB2      MET  81  69.636  -2.070   2.323
  599   2HB   MET  81           HB1      MET  81  69.836  -3.555   3.254
  600   1HG   MET  81           HG2      MET  81  67.291  -1.908   3.196
  601   2HG   MET  81           HG1      MET  81  67.566  -3.350   2.218
  602   1HE   MET  81           HE2      MET  81  68.771  -5.214   3.171
  603   2HE   MET  81           HE1      MET  81  69.236  -5.286   4.868
  604   3HE   MET  81           HE3      MET  81  67.847  -6.216   4.287
  605    H    VAL  82           HN       VAL  82  72.017  -2.389   3.693
  606    HA   VAL  82           HA       VAL  82  72.828  -4.336   5.553
  607    HB   VAL  82           HB       VAL  82  75.086  -3.713   4.824
  608   1HG1  VAL  82          HG13      VAL  82  72.846  -4.156   3.081
  609   2HG1  VAL  82          HG12      VAL  82  73.999  -3.094   2.270
  610   3HG1  VAL  82          HG11      VAL  82  74.521  -4.668   2.869
  611   1HG2  VAL  82          HG23      VAL  82  74.563  -1.203   5.139
  612   2HG2  VAL  82          HG22      VAL  82  75.588  -1.645   3.774
  613   3HG2  VAL  82          HG21      VAL  82  73.883  -1.270   3.513
  614    H    ARG  83           HN       ARG  83  72.455  -0.902   6.004
  615    HA   ARG  83           HA       ARG  83  74.246  -0.458   8.181
  616   1HB   ARG  83           HB2      ARG  83  71.996   0.811   6.831
  617   2HB   ARG  83           HB1      ARG  83  71.984   1.146   8.563
  618   1HG   ARG  83           HG2      ARG  83  74.675   1.383   7.776
  619   2HG   ARG  83           HG1      ARG  83  73.745   2.201   6.521
  620   1HD   ARG  83           HD2      ARG  83  73.620   3.975   7.934
  621   2HD   ARG  83           HD1      ARG  83  72.538   2.990   8.939
  622    HE   ARG  83           HE       ARG  83  75.220   2.187   9.469
  623   1HH1  ARG  83          HH11      ARG  83  72.661   3.958  10.687
  624   2HH1  ARG  83          HH12      ARG  83  73.607   4.933  11.761
  625   1HH2  ARG  83          HH21      ARG  83  76.648   3.835  10.505
  626   2HH2  ARG  83          HH22      ARG  83  75.864   4.864  11.658
  627    H    CYS  84           HN       CYS  84  70.699  -0.591   8.574
  628    HA   CYS  84           HA       CYS  84  70.619  -1.138  11.311
  629   1HB   CYS  84           HB2      CYS  84  68.897  -1.525   8.938
  630   2HB   CYS  84           HB1      CYS  84  68.474  -2.528  10.324
  631    HG   CYS  84           HG       CYS  84  67.578   0.185  10.195
  632    H    MET  85           HN       MET  85  70.040  -3.709   8.883
  633    HA   MET  85           HA       MET  85  70.431  -6.041   9.052
  634   1HB   MET  85           HB2      MET  85  72.859  -4.481   9.700
  635   2HB   MET  85           HB1      MET  85  72.922  -6.176  10.187
  636   1HG   MET  85           HG2      MET  85  71.855  -6.421   7.697
  637   2HG   MET  85           HG1      MET  85  72.864  -4.992   7.472
  638   1HE   MET  85           HE2      MET  85  73.636  -6.296   5.748
  639   2HE   MET  85           HE1      MET  85  75.301  -6.856   5.881
  640   3HE   MET  85           HE3      MET  85  73.970  -8.022   5.875
  641    H    LYS  86           HN       LYS  86  68.853  -5.093  11.213
  642    HA   LYS  86           HA       LYS  86  69.412  -7.144  13.218
  643   1HB   LYS  86           HB2      LYS  86  69.727  -5.488  15.059
  644   2HB   LYS  86           HB1      LYS  86  71.012  -5.397  13.855
  645   1HG   LYS  86           HG2      LYS  86  69.621  -3.567  12.725
  646   2HG   LYS  86           HG1      LYS  86  68.654  -3.537  14.200
  647   1HD   LYS  86           HD2      LYS  86  71.277  -3.481  15.133
  648   2HD   LYS  86           HD1      LYS  86  71.315  -2.436  13.711
  649   1HE   LYS  86           HE2      LYS  86  69.357  -2.198  16.028
  650   2HE   LYS  86           HE1      LYS  86  70.713  -1.102  15.689
  651   1HZ   LYS  86           HZ3      LYS  86  69.742  -0.803  13.429
  652   2HZ   LYS  86           HZ2      LYS  86  68.364  -1.647  13.956
  653   3HZ   LYS  86           HZ1      LYS  86  68.787  -0.169  14.679
  654    H    ASP  87           HN       ASP  87  67.875  -6.126  15.311
  655    HA   ASP  87           HA       ASP  87  65.267  -5.355  14.065
  656   1HB   ASP  87           HB2      ASP  87  65.872  -7.918  14.630
  657   2HB   ASP  87           HB1      ASP  87  65.300  -7.415  16.221
  658    H    ASP  88           HN       ASP  88  63.718  -4.536  15.723
  659    HA   ASP  88           HA       ASP  88  65.165  -3.266  18.018
  660   1HB   ASP  88           HB2      ASP  88  63.564  -1.484  17.771
  661   2HB   ASP  88           HB1      ASP  88  64.111  -1.897  16.145
  662    H    SER  89           HN       SER  89  63.196  -2.610  19.709
  663    HA   SER  89           HA       SER  89  61.439  -4.973  20.144
  664   1HB   SER  89           HB2      SER  89  63.793  -5.182  21.201
  665   2HB   SER  89           HB1      SER  89  63.265  -3.918  22.309
  666    HG   SER  89           HG       SER  89  62.827  -6.458  22.548
   
  No H/Q in entry =         666
  Start of MODEL   10
    1   1H    MET   1           HT1      MET   1  83.273   6.131  -8.208
    2   2H    MET   1           HT3      MET   1  82.636   7.691  -8.409
    3   3H    MET   1           HT2      MET   1  83.836   7.409  -7.240
    4    HA   MET   1           HA       MET   1  81.640   7.611  -6.205
    5   1HB   MET   1           HB2      MET   1  80.758   6.588  -8.487
    6   2HB   MET   1           HB1      MET   1  80.909   5.064  -7.613
    7   1HG   MET   1           HG2      MET   1  79.610   6.279  -5.717
    8   2HG   MET   1           HG1      MET   1  79.163   7.434  -6.973
    9   1HE   MET   1           HE3      MET   1  78.776   4.122  -5.354
   10   2HE   MET   1           HE2      MET   1  77.972   3.055  -6.503
   11   3HE   MET   1           HE1      MET   1  79.661   3.490  -6.749
   12    H    ASP   2           HN       ASP   2  83.909   6.898  -5.080
   13    HA   ASP   2           HA       ASP   2  83.796   4.045  -4.234
   14   1HB   ASP   2           HB2      ASP   2  85.921   5.028  -4.998
   15   2HB   ASP   2           HB1      ASP   2  85.792   6.287  -3.771
   16    H    ASP   3           HN       ASP   3  84.257   3.721  -1.797
   17    HA   ASP   3           HA       ASP   3  83.688   5.695   0.169
   18   1HB   ASP   3           HB2      ASP   3  81.480   5.014  -1.443
   19   2HB   ASP   3           HB1      ASP   3  81.207   4.189   0.092
   20    H    ILE   4           HN       ILE   4  82.602   4.451   2.215
   21    HA   ILE   4           HA       ILE   4  84.239   1.995   2.560
   22    HB   ILE   4           HB       ILE   4  83.912   2.445   4.910
   23   1HG1  ILE   4          HG12      ILE   4  81.725   4.307   3.937
   24   2HG1  ILE   4          HG11      ILE   4  81.537   2.877   4.953
   25   1HG2  ILE   4          HG22      ILE   4  85.443   3.980   3.659
   26   2HG2  ILE   4          HG21      ILE   4  84.101   5.109   3.472
   27   3HG2  ILE   4          HG23      ILE   4  84.722   4.737   5.080
   28   1HD1  ILE   4          HD13      ILE   4  83.375   4.349   6.376
   29   2HD1  ILE   4          HD12      ILE   4  82.345   5.608   5.694
   30   3HD1  ILE   4          HD11      ILE   4  81.639   4.334   6.689
   31    H    TYR   5           HN       TYR   5  80.908   3.015   2.256
   32    HA   TYR   5           HA       TYR   5  79.695   0.661   3.441
   33   1HB   TYR   5           HB2      TYR   5  78.689   2.716   1.444
   34   2HB   TYR   5           HB1      TYR   5  77.670   1.602   2.357
   35    HD1  TYR   5           HD2      TYR   5  77.401   1.837   4.790
   36    HD2  TYR   5           HD1      TYR   5  79.761   4.614   2.518
   37    HE1  TYR   5           HE2      TYR   5  77.384   3.416   6.703
   38    HE2  TYR   5           HE1      TYR   5  79.745   6.193   4.430
   39    HH   TYR   5           HH       TYR   5  79.196   6.476   6.574
   40    H    LYS   6           HN       LYS   6  80.778   1.544   0.187
   41    HA   LYS   6           HA       LYS   6  79.532  -0.274  -1.478
   42   1HB   LYS   6           HB2      LYS   6  81.575  -0.174  -2.792
   43   2HB   LYS   6           HB1      LYS   6  81.350   1.390  -2.006
   44   1HG   LYS   6           HG2      LYS   6  82.964   0.853  -0.302
   45   2HG   LYS   6           HG1      LYS   6  83.059  -0.822  -0.842
   46   1HD   LYS   6           HD2      LYS   6  83.587   0.960  -3.055
   47   2HD   LYS   6           HD1      LYS   6  84.661   1.334  -1.706
   48   1HE   LYS   6           HE2      LYS   6  85.832  -0.367  -2.865
   49   2HE   LYS   6           HE1      LYS   6  84.994  -1.270  -1.588
   50   1HZ   LYS   6           HZ3      LYS   6  83.094  -1.464  -3.197
   51   2HZ   LYS   6           HZ2      LYS   6  84.144  -0.895  -4.405
   52   3HZ   LYS   6           HZ1      LYS   6  84.476  -2.358  -3.606
   53    H    ALA   7           HN       ALA   7  81.931  -0.990   1.013
   54    HA   ALA   7           HA       ALA   7  82.576  -3.668   0.244
   55   1HB   ALA   7           HB1      ALA   7  83.343  -1.874   2.150
   56   2HB   ALA   7           HB3      ALA   7  82.392  -2.995   3.126
   57   3HB   ALA   7           HB2      ALA   7  83.771  -3.584   2.198
   58    H    ALA   8           HN       ALA   8  79.658  -2.323   1.445
   59    HA   ALA   8           HA       ALA   8  78.671  -4.692   2.834
   60   1HB   ALA   8           HB3      ALA   8  78.051  -2.005   2.667
   61   2HB   ALA   8           HB2      ALA   8  76.737  -2.753   1.759
   62   3HB   ALA   8           HB1      ALA   8  77.035  -3.228   3.432
   63    H    VAL   9           HN       VAL   9  78.251  -3.276  -0.409
   64    HA   VAL   9           HA       VAL   9  76.247  -5.074  -1.364
   65    HB   VAL   9           HB       VAL   9  78.499  -3.717  -2.881
   66   1HG1  VAL   9          HG12      VAL   9  75.740  -4.710  -3.636
   67   2HG1  VAL   9          HG11      VAL   9  76.657  -3.586  -4.638
   68   3HG1  VAL   9          HG13      VAL   9  77.289  -5.201  -4.322
   69   1HG2  VAL   9          HG21      VAL   9  75.948  -2.686  -1.661
   70   2HG2  VAL   9          HG23      VAL   9  77.552  -1.953  -1.662
   71   3HG2  VAL   9          HG22      VAL   9  76.578  -1.945  -3.132
   72    H    GLU  10           HN       GLU  10  79.806  -5.176  -1.826
   73    HA   GLU  10           HA       GLU  10  79.955  -7.635  -3.214
   74   1HB   GLU  10           HB2      GLU  10  82.287  -7.651  -2.168
   75   2HB   GLU  10           HB1      GLU  10  81.848  -6.168  -3.015
   76   1HG   GLU  10           HG2      GLU  10  82.250  -5.018  -1.124
   77   2HG   GLU  10           HG1      GLU  10  80.911  -5.876  -0.360
   78    H    GLN  11           HN       GLN  11  79.229  -7.005   0.129
   79    HA   GLN  11           HA       GLN  11  79.962  -9.647   1.133
   80   1HB   GLN  11           HB2      GLN  11  78.932  -7.088   2.073
   81   2HB   GLN  11           HB1      GLN  11  78.098  -8.439   2.843
   82   1HG   GLN  11           HG2      GLN  11  80.782  -9.210   2.835
   83   2HG   GLN  11           HG1      GLN  11  80.826  -7.492   3.238
   84   1HE2  GLN  11          HE22      GLN  11  79.788  -8.106   6.535
   85   2HE2  GLN  11          HE21      GLN  11  80.640  -7.121   5.445
   86    H    LEU  12           HN       LEU  12  77.219  -8.289  -0.508
   87    HA   LEU  12           HA       LEU  12  75.295 -10.291   0.441
   88   1HB   LEU  12           HB2      LEU  12  75.275  -8.245  -1.802
   89   2HB   LEU  12           HB1      LEU  12  73.866  -9.164  -1.271
   90    HG   LEU  12           HG       LEU  12  75.498  -7.417   0.587
   91   1HD1  LEU  12          HD13      LEU  12  73.253  -6.780  -1.279
   92   2HD1  LEU  12          HD12      LEU  12  73.227  -6.035   0.318
   93   3HD1  LEU  12          HD11      LEU  12  74.599  -5.767  -0.757
   94   1HD2  LEU  12          HD21      LEU  12  74.057  -9.307   1.499
   95   2HD2  LEU  12          HD23      LEU  12  73.646  -7.698   2.094
   96   3HD2  LEU  12          HD22      LEU  12  72.661  -8.453   0.841
   97    H    THR  13           HN       THR  13  74.281 -11.853  -1.061
   98    HA   THR  13           HA       THR  13  76.226 -12.847  -3.115
   99    HB   THR  13           HB       THR  13  75.293 -15.042  -2.594
  100    HG1  THR  13           HG1      THR  13  73.724 -14.784  -0.641
  101   1HG2  THR  13          HG23      THR  13  76.238 -13.248  -0.425
  102   2HG2  THR  13          HG22      THR  13  75.533 -14.782   0.082
  103   3HG2  THR  13          HG21      THR  13  76.920 -14.767  -1.007
  104    H    GLU  14           HN       GLU  14  75.376 -13.491  -5.166
  105    HA   GLU  14           HA       GLU  14  73.417 -11.985  -6.417
  106   1HB   GLU  14           HB2      GLU  14  74.307 -14.855  -6.800
  107   2HB   GLU  14           HB1      GLU  14  73.259 -14.028  -7.955
  108   1HG   GLU  14           HG2      GLU  14  74.932 -12.345  -8.383
  109   2HG   GLU  14           HG1      GLU  14  75.945 -12.945  -7.068
  110    H    GLU  15           HN       GLU  15  72.837 -15.311  -5.185
  111    HA   GLU  15           HA       GLU  15  70.085 -15.494  -5.548
  112   1HB   GLU  15           HB2      GLU  15  72.008 -16.448  -3.438
  113   2HB   GLU  15           HB1      GLU  15  70.292 -16.832  -3.294
  114   1HG   GLU  15           HG2      GLU  15  71.102 -18.661  -4.511
  115   2HG   GLU  15           HG1      GLU  15  70.521 -17.594  -5.790
  116    H    GLN  16           HN       GLN  16  71.799 -13.880  -2.865
  117    HA   GLN  16           HA       GLN  16  69.375 -13.113  -1.459
  118   1HB   GLN  16           HB2      GLN  16  72.316 -12.547  -1.360
  119   2HB   GLN  16           HB1      GLN  16  71.233 -11.477  -0.470
  120   1HG   GLN  16           HG2      GLN  16  70.207 -13.853   0.286
  121   2HG   GLN  16           HG1      GLN  16  71.880 -14.339   0.009
  122   1HE2  GLN  16          HE22      GLN  16  73.170 -12.274   2.664
  123   2HE2  GLN  16          HE21      GLN  16  73.579 -12.931   1.153
  124    H    LYS  17           HN       LYS  17  71.713 -11.317  -3.499
  125    HA   LYS  17           HA       LYS  17  70.534  -8.778  -3.481
  126   1HB   LYS  17           HB2      LYS  17  72.571 -10.070  -4.782
  127   2HB   LYS  17           HB1      LYS  17  71.450  -9.773  -6.110
  128   1HG   LYS  17           HG2      LYS  17  72.345  -7.696  -6.190
  129   2HG   LYS  17           HG1      LYS  17  71.412  -7.375  -4.727
  130   1HD   LYS  17           HD2      LYS  17  73.704  -6.768  -4.272
  131   2HD   LYS  17           HD1      LYS  17  73.364  -8.258  -3.391
  132   1HE   LYS  17           HE2      LYS  17  75.577  -8.219  -4.689
  133   2HE   LYS  17           HE1      LYS  17  74.511  -9.592  -5.048
  134   1HZ   LYS  17           HZ3      LYS  17  74.234  -7.067  -6.542
  135   2HZ   LYS  17           HZ2      LYS  17  75.424  -8.190  -6.999
  136   3HZ   LYS  17           HZ1      LYS  17  73.784  -8.635  -7.005
  137    H    ASN  18           HN       ASN  18  69.746 -11.525  -5.637
  138    HA   ASN  18           HA       ASN  18  67.802 -10.365  -7.274
  139   1HB   ASN  18           HB2      ASN  18  68.382 -13.048  -6.122
  140   2HB   ASN  18           HB1      ASN  18  66.789 -12.839  -6.850
  141   1HD2  ASN  18          HD22      ASN  18  69.783 -13.548  -9.310
  142   2HD2  ASN  18          HD21      ASN  18  69.703 -14.014  -7.679
  143    H    GLU  19           HN       GLU  19  67.368 -11.688  -3.982
  144    HA   GLU  19           HA       GLU  19  64.573 -11.424  -3.729
  145   1HB   GLU  19           HB2      GLU  19  66.926 -11.736  -2.073
  146   2HB   GLU  19           HB1      GLU  19  65.769 -10.667  -1.279
  147   1HG   GLU  19           HG2      GLU  19  64.353 -12.371  -0.851
  148   2HG   GLU  19           HG1      GLU  19  64.454 -12.956  -2.513
  149    H    PHE  20           HN       PHE  20  67.121  -8.969  -3.284
  150    HA   PHE  20           HA       PHE  20  65.309  -6.874  -2.418
  151   1HB   PHE  20           HB2      PHE  20  68.145  -7.047  -3.445
  152   2HB   PHE  20           HB1      PHE  20  67.406  -5.492  -3.061
  153    HD1  PHE  20           HD2      PHE  20  65.720  -6.124  -0.752
  154    HD2  PHE  20           HD1      PHE  20  69.681  -7.480  -1.710
  155    HE1  PHE  20           HE2      PHE  20  66.170  -6.508   1.655
  156    HE2  PHE  20           HE1      PHE  20  70.132  -7.863   0.698
  157    HZ   PHE  20           HZ       PHE  20  68.376  -7.377   2.381
  158    H    LYS  21           HN       LYS  21  66.767  -7.781  -5.546
  159    HA   LYS  21           HA       LYS  21  65.918  -5.589  -7.115
  160   1HB   LYS  21           HB2      LYS  21  67.327  -7.794  -7.558
  161   2HB   LYS  21           HB1      LYS  21  65.780  -8.408  -8.141
  162   1HG   LYS  21           HG2      LYS  21  65.604  -6.639  -9.767
  163   2HG   LYS  21           HG1      LYS  21  66.992  -5.795  -9.079
  164   1HD   LYS  21           HD2      LYS  21  68.511  -7.476  -9.822
  165   2HD   LYS  21           HD1      LYS  21  67.200  -8.598 -10.194
  166   1HE   LYS  21           HE2      LYS  21  68.041  -7.591 -12.277
  167   2HE   LYS  21           HE1      LYS  21  66.400  -6.996 -11.959
  168   1HZ   LYS  21           HZ2      LYS  21  68.524  -5.516 -10.657
  169   2HZ   LYS  21           HZ1      LYS  21  68.512  -5.391 -12.351
  170   3HZ   LYS  21           HZ3      LYS  21  67.140  -4.947 -11.459
  171    H    ALA  22           HN       ALA  22  64.147  -8.515  -6.127
  172    HA   ALA  22           HA       ALA  22  61.753  -7.838  -7.660
  173   1HB   ALA  22           HB3      ALA  22  62.504  -9.838  -5.518
  174   2HB   ALA  22           HB2      ALA  22  60.866  -9.744  -6.163
  175   3HB   ALA  22           HB1      ALA  22  62.213 -10.139  -7.230
  176    H    ALA  23           HN       ALA  23  63.110  -6.656  -4.796
  177    HA   ALA  23           HA       ALA  23  60.433  -5.879  -3.692
  178   1HB   ALA  23           HB3      ALA  23  62.425  -7.203  -2.473
  179   2HB   ALA  23           HB2      ALA  23  62.992  -5.559  -2.181
  180   3HB   ALA  23           HB1      ALA  23  61.405  -6.060  -1.599
  181    H    PHE  24           HN       PHE  24  63.015  -4.686  -5.494
  182    HA   PHE  24           HA       PHE  24  62.612  -1.893  -4.479
  183   1HB   PHE  24           HB2      PHE  24  64.892  -2.702  -4.314
  184   2HB   PHE  24           HB1      PHE  24  64.858  -3.265  -5.986
  185    HD1  PHE  24           HD2      PHE  24  64.468  -1.516  -7.834
  186    HD2  PHE  24           HD1      PHE  24  65.555  -0.497  -3.805
  187    HE1  PHE  24           HE2      PHE  24  65.228   0.715  -8.604
  188    HE2  PHE  24           HE1      PHE  24  66.315   1.734  -4.575
  189    HZ   PHE  24           HZ       PHE  24  66.152   2.341  -6.974
  190    H    ASP  25           HN       ASP  25  62.895  -3.857  -7.451
  191    HA   ASP  25           HA       ASP  25  62.384  -1.738  -9.313
  192   1HB   ASP  25           HB2      ASP  25  62.948  -4.485  -9.302
  193   2HB   ASP  25           HB1      ASP  25  61.386  -4.353 -10.108
  194    H    ILE  26           HN       ILE  26  60.329  -3.166  -7.010
  195    HA   ILE  26           HA       ILE  26  57.842  -2.940  -8.555
  196    HB   ILE  26           HB       ILE  26  58.419  -3.383  -5.610
  197   1HG1  ILE  26          HG12      ILE  26  58.098  -5.234  -7.983
  198   2HG1  ILE  26          HG11      ILE  26  59.440  -5.154  -6.842
  199   1HG2  ILE  26          HG21      ILE  26  55.923  -3.712  -7.300
  200   2HG2  ILE  26          HG23      ILE  26  56.108  -4.439  -5.704
  201   3HG2  ILE  26          HG22      ILE  26  56.129  -2.688  -5.880
  202   1HD1  ILE  26          HD12      ILE  26  56.612  -5.962  -6.118
  203   2HD1  ILE  26          HD11      ILE  26  57.932  -7.093  -6.412
  204   3HD1  ILE  26          HD13      ILE  26  58.013  -5.981  -5.046
  205    H    PHE  27           HN       PHE  27  59.759  -0.545  -7.699
  206    HA   PHE  27           HA       PHE  27  57.504   1.289  -7.094
  207   1HB   PHE  27           HB2      PHE  27  59.934   0.789  -5.359
  208   2HB   PHE  27           HB1      PHE  27  58.941   2.240  -5.203
  209    HD1  PHE  27           HD1      PHE  27  56.527   2.048  -4.588
  210    HD2  PHE  27           HD2      PHE  27  59.161  -1.345  -4.573
  211    HE1  PHE  27           HE1      PHE  27  54.888   0.781  -3.225
  212    HE2  PHE  27           HE2      PHE  27  57.523  -2.611  -3.208
  213    HZ   PHE  27           HZ       PHE  27  55.386  -1.547  -2.534
  214    H    VAL  28           HN       VAL  28  59.403   0.832  -9.375
  215    HA   VAL  28           HA       VAL  28  61.115   3.257  -9.319
  216    HB   VAL  28           HB       VAL  28  60.678   1.025 -11.333
  217   1HG1  VAL  28          HG11      VAL  28  62.186   3.562 -11.434
  218   2HG1  VAL  28          HG13      VAL  28  63.114   2.136 -11.896
  219   3HG1  VAL  28          HG12      VAL  28  61.624   2.533 -12.751
  220   1HG2  VAL  28          HG22      VAL  28  61.766   0.541  -9.043
  221   2HG2  VAL  28          HG21      VAL  28  62.675   0.065 -10.478
  222   3HG2  VAL  28          HG23      VAL  28  63.107   1.537  -9.610
  223    H    LEU  29           HN       LEU  29  58.043   3.224  -9.474
  224    HA   LEU  29           HA       LEU  29  57.126   3.970 -12.053
  225   1HB   LEU  29           HB2      LEU  29  55.320   5.082 -10.709
  226   2HB   LEU  29           HB1      LEU  29  55.680   3.445 -10.156
  227    HG   LEU  29           HG       LEU  29  57.448   5.243  -8.808
  228   1HD1  LEU  29          HD13      LEU  29  55.297   6.710  -9.512
  229   2HD1  LEU  29          HD12      LEU  29  54.663   5.962  -8.046
  230   3HD1  LEU  29          HD11      LEU  29  56.135   6.932  -7.976
  231   1HD2  LEU  29          HD21      LEU  29  55.257   3.314  -8.145
  232   2HD2  LEU  29          HD23      LEU  29  56.950   3.300  -7.648
  233   3HD2  LEU  29          HD22      LEU  29  55.813   4.403  -6.873
  234    H    GLY  30           HN       GLY  30  58.508   5.440 -13.134
  235   1HA   GLY  30           HA2      GLY  30  59.045   7.657 -13.776
  236   2HA   GLY  30           HA1      GLY  30  58.266   8.238 -12.304
  237    H    ALA  31           HN       ALA  31  61.260   7.553 -13.789
  238    HA   ALA  31           HA       ALA  31  62.773   8.696 -11.611
  239   1HB   ALA  31           HB2      ALA  31  62.053   5.948 -11.426
  240   2HB   ALA  31           HB1      ALA  31  63.783   6.008 -11.762
  241   3HB   ALA  31           HB3      ALA  31  63.127   6.851 -10.359
  242    H    GLU  32           HN       GLU  32  65.261   7.505 -12.083
  243    HA   GLU  32           HA       GLU  32  65.726   8.256 -14.940
  244   1HB   GLU  32           HB2      GLU  32  66.912   9.613 -13.354
  245   2HB   GLU  32           HB1      GLU  32  67.428   8.198 -12.436
  246   1HG   GLU  32           HG2      GLU  32  68.799   7.441 -14.325
  247   2HG   GLU  32           HG1      GLU  32  68.255   8.817 -15.288
  248    H    ASP  33           HN       ASP  33  66.832   5.883 -12.484
  249    HA   ASP  33           HA       ASP  33  66.894   3.774 -14.548
  250   1HB   ASP  33           HB2      ASP  33  69.024   4.914 -14.867
  251   2HB   ASP  33           HB1      ASP  33  69.360   4.837 -13.136
  252    H    GLY  34           HN       GLY  34  65.321   2.835 -13.042
  253   1HA   GLY  34           HA2      GLY  34  64.725   1.408 -11.280
  254   2HA   GLY  34           HA1      GLY  34  66.435   0.982 -11.195
  255    H    CYS  35           HN       CYS  35  64.521   3.929 -10.471
  256    HA   CYS  35           HA       CYS  35  65.894   3.997  -7.801
  257   1HB   CYS  35           HB2      CYS  35  65.027   6.327  -9.540
  258   2HB   CYS  35           HB1      CYS  35  65.981   6.416  -8.059
  259    HG   CYS  35           HG       CYS  35  67.038   5.171 -10.730
  260    H    ILE  36           HN       ILE  36  64.539   4.407  -6.035
  261    HA   ILE  36           HA       ILE  36  61.617   4.687  -6.660
  262    HB   ILE  36           HB       ILE  36  61.296   3.425  -4.578
  263   1HG1  ILE  36          HG12      ILE  36  64.328   3.460  -4.419
  264   2HG1  ILE  36          HG11      ILE  36  63.241   4.359  -3.359
  265   1HG2  ILE  36          HG22      ILE  36  62.041   2.360  -6.881
  266   2HG2  ILE  36          HG21      ILE  36  63.495   1.941  -5.974
  267   3HG2  ILE  36          HG23      ILE  36  61.921   1.356  -5.436
  268   1HD1  ILE  36          HD13      ILE  36  63.052   1.360  -3.666
  269   2HD1  ILE  36          HD12      ILE  36  64.106   2.111  -2.469
  270   3HD1  ILE  36          HD11      ILE  36  62.363   2.370  -2.395
  271    H    SER  37           HN       SER  37  60.367   5.897  -4.984
  272    HA   SER  37           HA       SER  37  61.648   8.413  -4.301
  273   1HB   SER  37           HB2      SER  37  59.310   8.272  -4.955
  274   2HB   SER  37           HB1      SER  37  58.973   7.137  -3.651
  275    HG   SER  37           HG       SER  37  59.138   8.733  -2.204
  276    H    THR  38           HN       THR  38  62.802   8.804  -2.453
  277    HA   THR  38           HA       THR  38  63.472   6.976  -0.464
  278    HB   THR  38           HB       THR  38  63.665   9.223   0.920
  279    HG1  THR  38           HG1      THR  38  62.132  10.107  -0.797
  280   1HG2  THR  38          HG23      THR  38  65.538   8.049  -0.187
  281   2HG2  THR  38          HG22      THR  38  65.107   8.818  -1.715
  282   3HG2  THR  38          HG21      THR  38  65.680   9.797  -0.366
  283    H    LYS  39           HN       LYS  39  60.455   8.697  -0.842
  284    HA   LYS  39           HA       LYS  39  59.569   8.248   1.923
  285   1HB   LYS  39           HB2      LYS  39  58.287   9.261  -0.629
  286   2HB   LYS  39           HB1      LYS  39  57.426   9.172   0.908
  287   1HG   LYS  39           HG2      LYS  39  59.016  10.675   1.955
  288   2HG   LYS  39           HG1      LYS  39  60.033  10.666   0.513
  289   1HD   LYS  39           HD2      LYS  39  57.795  11.472  -0.663
  290   2HD   LYS  39           HD1      LYS  39  57.402  12.020   0.968
  291   1HE   LYS  39           HE2      LYS  39  60.120  12.754   0.428
  292   2HE   LYS  39           HE1      LYS  39  59.110  13.302  -0.925
  293   1HZ   LYS  39           HZ2      LYS  39  58.027  13.599   1.771
  294   2HZ   LYS  39           HZ1      LYS  39  59.272  14.665   1.322
  295   3HZ   LYS  39           HZ3      LYS  39  57.842  14.604   0.413
  296    H    GLU  40           HN       GLU  40  59.606   6.413  -0.999
  297    HA   GLU  40           HA       GLU  40  57.292   4.744  -0.163
  298   1HB   GLU  40           HB2      GLU  40  57.320   3.982  -2.392
  299   2HB   GLU  40           HB1      GLU  40  57.871   5.650  -2.545
  300   1HG   GLU  40           HG2      GLU  40  59.514   4.591  -3.782
  301   2HG   GLU  40           HG1      GLU  40  60.257   4.510  -2.186
  302    H    LEU  41           HN       LEU  41  60.809   4.626  -0.410
  303    HA   LEU  41           HA       LEU  41  61.452   1.943  -0.324
  304   1HB   LEU  41           HB2      LEU  41  63.000   3.890  -0.182
  305   2HB   LEU  41           HB1      LEU  41  62.517   4.127   1.499
  306    HG   LEU  41           HG       LEU  41  63.331   1.369   0.889
  307   1HD1  LEU  41          HD11      LEU  41  65.234   3.688   0.517
  308   2HD1  LEU  41          HD13      LEU  41  65.799   2.082   0.974
  309   3HD1  LEU  41          HD12      LEU  41  64.962   2.319  -0.561
  310   1HD2  LEU  41          HD22      LEU  41  62.894   2.403   3.158
  311   2HD2  LEU  41          HD21      LEU  41  64.459   1.603   3.012
  312   3HD2  LEU  41          HD23      LEU  41  64.356   3.362   2.932
  313    H    GLY  42           HN       GLY  42  60.088   3.863   2.344
  314   1HA   GLY  42           HA2      GLY  42  60.366   2.126   4.497
  315   2HA   GLY  42           HA1      GLY  42  58.927   3.120   4.256
  316    H    LYS  43           HN       LYS  43  57.690   2.050   2.110
  317    HA   LYS  43           HA       LYS  43  56.466  -0.335   3.118
  318   1HB   LYS  43           HB2      LYS  43  56.536   1.019   0.406
  319   2HB   LYS  43           HB1      LYS  43  55.460  -0.326   0.785
  320   1HG   LYS  43           HG2      LYS  43  54.254   0.924   2.373
  321   2HG   LYS  43           HG1      LYS  43  55.539   2.120   2.543
  322   1HD   LYS  43           HD2      LYS  43  55.099   2.995   0.326
  323   2HD   LYS  43           HD1      LYS  43  53.936   1.709   0.004
  324   1HE   LYS  43           HE2      LYS  43  52.686   2.605   2.109
  325   2HE   LYS  43           HE1      LYS  43  53.658   4.069   1.865
  326   1HZ   LYS  43           HZ3      LYS  43  52.965   3.937  -0.530
  327   2HZ   LYS  43           HZ2      LYS  43  51.827   2.764  -0.069
  328   3HZ   LYS  43           HZ1      LYS  43  51.725   4.341   0.554
  329    H    VAL  44           HN       VAL  44  59.102   0.207   0.819
  330    HA   VAL  44           HA       VAL  44  59.223  -2.531  -0.139
  331    HB   VAL  44           HB       VAL  44  60.804   0.003  -0.303
  332   1HG1  VAL  44          HG12      VAL  44  61.923  -2.755  -0.726
  333   2HG1  VAL  44          HG11      VAL  44  62.446  -1.435  -1.773
  334   3HG1  VAL  44          HG13      VAL  44  62.700  -1.332  -0.031
  335   1HG2  VAL  44          HG21      VAL  44  59.339  -1.880  -2.091
  336   2HG2  VAL  44          HG23      VAL  44  59.337  -0.116  -2.073
  337   3HG2  VAL  44          HG22      VAL  44  60.690  -0.990  -2.791
  338    H    MET  45           HN       MET  45  60.599  -0.787   2.589
  339    HA   MET  45           HA       MET  45  62.643  -2.772   3.202
  340   1HB   MET  45           HB2      MET  45  61.419  -0.341   4.471
  341   2HB   MET  45           HB1      MET  45  62.447  -1.390   5.450
  342   1HG   MET  45           HG2      MET  45  63.270  -0.228   2.774
  343   2HG   MET  45           HG1      MET  45  63.701   0.478   4.332
  344   1HE   MET  45           HE3      MET  45  66.046   0.329   3.158
  345   2HE   MET  45           HE2      MET  45  66.117   0.204   4.914
  346   3HE   MET  45           HE1      MET  45  67.129  -0.844   3.921
  347    H    ARG  46           HN       ARG  46  59.311  -2.148   4.267
  348    HA   ARG  46           HA       ARG  46  59.399  -4.226   6.338
  349   1HB   ARG  46           HB2      ARG  46  57.134  -3.506   6.730
  350   2HB   ARG  46           HB1      ARG  46  58.067  -2.059   6.347
  351   1HG   ARG  46           HG2      ARG  46  57.280  -2.106   4.042
  352   2HG   ARG  46           HG1      ARG  46  56.439  -3.630   4.329
  353   1HD   ARG  46           HD2      ARG  46  55.705  -1.533   6.259
  354   2HD   ARG  46           HD1      ARG  46  55.276  -1.139   4.582
  355    HE   ARG  46           HE       ARG  46  54.253  -3.441   6.129
  356   1HH1  ARG  46          HH21      ARG  46  55.041  -2.345   2.985
  357   2HH1  ARG  46          HH22      ARG  46  53.597  -2.959   2.251
  358   1HH2  ARG  46          HH11      ARG  46  52.209  -4.022   5.246
  359   2HH2  ARG  46          HH12      ARG  46  51.994  -3.908   3.532
  360    H    MET  47           HN       MET  47  58.501  -4.006   2.957
  361    HA   MET  47           HA       MET  47  56.925  -6.483   2.966
  362   1HB   MET  47           HB2      MET  47  57.911  -4.454   0.980
  363   2HB   MET  47           HB1      MET  47  57.281  -5.994   0.395
  364   1HG   MET  47           HG2      MET  47  55.372  -5.310   2.228
  365   2HG   MET  47           HG1      MET  47  55.853  -3.722   1.630
  366   1HE   MET  47           HE3      MET  47  56.299  -3.290  -0.872
  367   2HE   MET  47           HE2      MET  47  56.919  -4.869  -1.345
  368   3HE   MET  47           HE1      MET  47  55.561  -4.166  -2.219
  369    H    LEU  48           HN       LEU  48  60.233  -5.496   2.296
  370    HA   LEU  48           HA       LEU  48  60.991  -8.057   1.086
  371   1HB   LEU  48           HB2      LEU  48  62.203  -6.242   0.271
  372   2HB   LEU  48           HB1      LEU  48  62.241  -5.436   1.836
  373    HG   LEU  48           HG       LEU  48  64.446  -6.450   0.954
  374   1HD1  LEU  48          HD11      LEU  48  63.330  -6.178   3.552
  375   2HD1  LEU  48          HD13      LEU  48  64.265  -7.675   3.545
  376   3HD1  LEU  48          HD12      LEU  48  65.035  -6.153   3.099
  377   1HD2  LEU  48          HD21      LEU  48  62.805  -8.761   0.880
  378   2HD2  LEU  48          HD23      LEU  48  64.537  -8.666   0.566
  379   3HD2  LEU  48          HD22      LEU  48  63.956  -9.008   2.195
  380    H    GLY  49           HN       GLY  49  61.268  -6.474   4.256
  381   1HA   GLY  49           HA2      GLY  49  61.188  -8.652   5.902
  382   2HA   GLY  49           HA1      GLY  49  62.867  -8.669   5.365
  383    H    GLN  50           HN       GLN  50  63.720  -6.162   5.387
  384    HA   GLN  50           HA       GLN  50  64.306  -5.441   7.992
  385   1HB   GLN  50           HB2      GLN  50  63.833  -3.760   5.516
  386   2HB   GLN  50           HB1      GLN  50  64.561  -3.111   6.986
  387   1HG   GLN  50           HG2      GLN  50  65.698  -5.646   5.896
  388   2HG   GLN  50           HG1      GLN  50  66.055  -4.154   5.025
  389   1HE2  GLN  50          HE22      GLN  50  68.757  -3.919   7.349
  390   2HE2  GLN  50          HE21      GLN  50  68.340  -4.345   5.760
  391    H    ASN  51           HN       ASN  51  63.464  -3.566   9.301
  392    HA   ASN  51           HA       ASN  51  60.610  -2.874   8.861
  393   1HB   ASN  51           HB2      ASN  51  60.040  -3.710  11.126
  394   2HB   ASN  51           HB1      ASN  51  60.644  -5.012  10.100
  395   1HD2  ASN  51          HD22      ASN  51  62.518  -5.404  13.240
  396   2HD2  ASN  51          HD21      ASN  51  60.940  -5.663  12.670
  397    HA   PRO  52           HA       PRO  52  63.441   0.249  10.991
  398   1HB   PRO  52           HB2      PRO  52  63.720   2.004   8.911
  399   2HB   PRO  52           HB1      PRO  52  64.839   0.655   9.191
  400   1HG   PRO  52           HG2      PRO  52  62.598   0.882   7.248
  401   2HG   PRO  52           HG1      PRO  52  64.187   0.125   7.057
  402   1HD   PRO  52           HD2      PRO  52  61.885  -1.273   7.526
  403   2HD   PRO  52           HD1      PRO  52  63.502  -1.847   7.987
  404    H    THR  53           HN       THR  53  62.875   2.821  10.865
  405    HA   THR  53           HA       THR  53  59.879   2.997  10.811
  406    HB   THR  53           HB       THR  53  60.686   3.169  13.049
  407    HG1  THR  53           HG1      THR  53  59.977   5.149  13.539
  408   1HG2  THR  53          HG23      THR  53  62.956   4.496  11.707
  409   2HG2  THR  53          HG22      THR  53  62.512   5.185  13.269
  410   3HG2  THR  53          HG21      THR  53  62.936   3.478  13.147
  411    HA   PRO  54           HA       PRO  54  60.298   6.214   7.852
  412   1HB   PRO  54           HB2      PRO  54  58.040   7.663   8.388
  413   2HB   PRO  54           HB1      PRO  54  58.005   6.081   7.583
  414   1HG   PRO  54           HG2      PRO  54  57.424   6.776  10.416
  415   2HG   PRO  54           HG1      PRO  54  56.643   5.589   9.360
  416   1HD   PRO  54           HD2      PRO  54  58.477   4.943  11.287
  417   2HD   PRO  54           HD1      PRO  54  58.178   3.966   9.833
  418    H    GLU  55           HN       GLU  55  59.761   7.099  11.239
  419    HA   GLU  55           HA       GLU  55  60.283   9.898  11.051
  420   1HB   GLU  55           HB2      GLU  55  60.760   9.642  13.478
  421   2HB   GLU  55           HB1      GLU  55  59.315   8.751  13.000
  422   1HG   GLU  55           HG2      GLU  55  60.299   6.987  14.034
  423   2HG   GLU  55           HG1      GLU  55  61.295   6.888  12.581
  424    H    GLU  56           HN       GLU  56  62.453   7.116  11.140
  425    HA   GLU  56           HA       GLU  56  64.844   8.827  11.481
  426   1HB   GLU  56           HB2      GLU  56  64.133   5.925  11.451
  427   2HB   GLU  56           HB1      GLU  56  65.793   6.351  11.036
  428   1HG   GLU  56           HG2      GLU  56  65.451   7.921  13.215
  429   2HG   GLU  56           HG1      GLU  56  64.372   6.589  13.633
  430    H    LEU  57           HN       LEU  57  63.177   6.983   8.963
  431    HA   LEU  57           HA       LEU  57  65.006   6.754   6.914
  432   1HB   LEU  57           HB2      LEU  57  62.223   6.788   7.252
  433   2HB   LEU  57           HB1      LEU  57  62.530   7.973   5.981
  434    HG   LEU  57           HG       LEU  57  64.218   5.860   5.327
  435   1HD1  LEU  57          HD12      LEU  57  63.012   4.477   7.023
  436   2HD1  LEU  57          HD11      LEU  57  61.509   4.769   6.149
  437   3HD1  LEU  57          HD13      LEU  57  62.814   3.864   5.381
  438   1HD2  LEU  57          HD22      LEU  57  61.813   7.169   4.318
  439   2HD2  LEU  57          HD21      LEU  57  63.206   6.554   3.427
  440   3HD2  LEU  57          HD23      LEU  57  61.880   5.470   3.847
  441    H    GLN  58           HN       GLN  58  62.869   9.619   6.965
  442    HA   GLN  58           HA       GLN  58  64.253  11.264   5.220
  443   1HB   GLN  58           HB2      GLN  58  62.720  11.798   7.767
  444   2HB   GLN  58           HB1      GLN  58  63.311  13.120   6.760
  445   1HG   GLN  58           HG2      GLN  58  61.868  10.935   5.353
  446   2HG   GLN  58           HG1      GLN  58  60.892  11.979   6.388
  447   1HE2  GLN  58          HE22      GLN  58  62.008  13.354   2.807
  448   2HE2  GLN  58          HE21      GLN  58  62.089  11.718   3.255
  449    H    GLU  59           HN       GLU  59  65.111  10.529   8.571
  450    HA   GLU  59           HA       GLU  59  67.138  12.612   8.783
  451   1HB   GLU  59           HB2      GLU  59  65.915  11.628  10.696
  452   2HB   GLU  59           HB1      GLU  59  66.649  10.061  10.355
  453   1HG   GLU  59           HG2      GLU  59  68.701  10.687  11.168
  454   2HG   GLU  59           HG1      GLU  59  68.509  12.363  10.652
  455    H    MET  60           HN       MET  60  67.309   9.042   8.423
  456    HA   MET  60           HA       MET  60  70.161   8.939   8.104
  457   1HB   MET  60           HB2      MET  60  68.831   7.015   8.748
  458   2HB   MET  60           HB1      MET  60  67.885   7.119   7.262
  459   1HG   MET  60           HG2      MET  60  69.579   6.249   5.956
  460   2HG   MET  60           HG1      MET  60  70.851   6.873   7.007
  461   1HE   MET  60           HE1      MET  60  67.821   4.953   6.798
  462   2HE   MET  60           HE3      MET  60  68.306   3.268   7.032
  463   3HE   MET  60           HE2      MET  60  67.731   4.221   8.398
  464    H    ILE  61           HN       ILE  61  67.512   9.477   5.836
  465    HA   ILE  61           HA       ILE  61  69.109   9.077   3.433
  466    HB   ILE  61           HB       ILE  61  66.467  10.468   3.981
  467   1HG1  ILE  61          HG12      ILE  61  66.825   7.751   2.738
  468   2HG1  ILE  61          HG11      ILE  61  66.877   7.922   4.493
  469   1HG2  ILE  61          HG23      ILE  61  68.036   9.965   1.511
  470   2HG2  ILE  61          HG22      ILE  61  66.315   9.593   1.421
  471   3HG2  ILE  61          HG21      ILE  61  66.845  11.219   1.853
  472   1HD1  ILE  61          HD13      ILE  61  64.670   9.393   3.963
  473   2HD1  ILE  61          HD12      ILE  61  64.588   8.245   2.627
  474   3HD1  ILE  61          HD11      ILE  61  64.612   7.661   4.292
  475    H    ASP  62           HN       ASP  62  68.622  11.711   5.649
  476    HA   ASP  62           HA       ASP  62  69.096  13.953   3.956
  477   1HB   ASP  62           HB2      ASP  62  68.647  13.411   6.639
  478   2HB   ASP  62           HB1      ASP  62  70.281  14.074   6.638
  479    H    GLU  63           HN       GLU  63  71.514  12.614   6.233
  480    HA   GLU  63           HA       GLU  63  73.762  13.795   4.924
  481   1HB   GLU  63           HB2      GLU  63  75.021  12.297   6.415
  482   2HB   GLU  63           HB1      GLU  63  73.637  12.977   7.273
  483   1HG   GLU  63           HG2      GLU  63  72.354  10.875   6.581
  484   2HG   GLU  63           HG1      GLU  63  73.913  10.202   6.105
  485    H    VAL  64           HN       VAL  64  71.879  11.020   4.104
  486    HA   VAL  64           HA       VAL  64  74.016   9.644   2.627
  487    HB   VAL  64           HB       VAL  64  71.019   9.305   2.927
  488   1HG1  VAL  64          HG12      VAL  64  73.026   7.823   1.240
  489   2HG1  VAL  64          HG11      VAL  64  71.616   6.986   1.891
  490   3HG1  VAL  64          HG13      VAL  64  71.403   8.363   0.809
  491   1HG2  VAL  64          HG23      VAL  64  72.752   8.804   4.813
  492   2HG2  VAL  64          HG22      VAL  64  71.551   7.570   4.430
  493   3HG2  VAL  64          HG21      VAL  64  73.198   7.419   3.815
  494    H    ASP  65           HN       ASP  65  71.104  11.558   1.827
  495    HA   ASP  65           HA       ASP  65  71.785  11.485  -1.053
  496   1HB   ASP  65           HB2      ASP  65  69.485  12.013   0.678
  497   2HB   ASP  65           HB1      ASP  65  69.622  13.189  -0.630
  498    H    GLU  66           HN       GLU  66  73.873  12.723  -0.582
  499    HA   GLU  66           HA       GLU  66  74.058  15.322   0.455
  500   1HB   GLU  66           HB2      GLU  66  76.047  15.472  -0.967
  501   2HB   GLU  66           HB1      GLU  66  75.902  13.829  -0.340
  502   1HG   GLU  66           HG2      GLU  66  74.823  13.120  -2.446
  503   2HG   GLU  66           HG1      GLU  66  74.986  14.760  -3.078
  504    H    ASP  67           HN       ASP  67  72.683  14.253  -2.598
  505    HA   ASP  67           HA       ASP  67  72.487  17.017  -3.642
  506   1HB   ASP  67           HB2      ASP  67  73.075  15.097  -5.087
  507   2HB   ASP  67           HB1      ASP  67  71.540  14.325  -4.682
  508    H    GLY  68           HN       GLY  68  70.773  15.211  -1.438
  509   1HA   GLY  68           HA2      GLY  68  68.563  15.280  -0.644
  510   2HA   GLY  68           HA1      GLY  68  68.581  16.949  -1.218
  511    H    SER  69           HN       SER  69  68.977  14.114  -3.283
  512    HA   SER  69           HA       SER  69  66.947  15.021  -5.131
  513   1HB   SER  69           HB2      SER  69  67.965  12.201  -4.984
  514   2HB   SER  69           HB1      SER  69  67.706  13.215  -6.401
  515    HG   SER  69           HG       SER  69  69.731  13.714  -6.232
  516    H    GLY  70           HN       GLY  70  66.987  12.698  -2.461
  517   1HA   GLY  70           HA2      GLY  70  65.140  11.801  -1.290
  518   2HA   GLY  70           HA1      GLY  70  64.069  12.699  -2.367
  519    H    THR  71           HN       THR  71  66.580  10.555  -3.563
  520    HA   THR  71           HA       THR  71  64.559   8.447  -4.167
  521    HB   THR  71           HB       THR  71  65.372   8.522  -6.560
  522    HG1  THR  71           HG1      THR  71  67.010   9.751  -6.930
  523   1HG2  THR  71          HG23      THR  71  64.093  11.023  -5.423
  524   2HG2  THR  71          HG22      THR  71  64.095  10.587  -7.133
  525   3HG2  THR  71          HG21      THR  71  63.254   9.569  -5.964
  526    H    VAL  72           HN       VAL  72  65.484   6.417  -4.025
  527    HA   VAL  72           HA       VAL  72  68.467   6.294  -3.781
  528    HB   VAL  72           HB       VAL  72  67.769   4.126  -2.486
  529   1HG1  VAL  72          HG12      VAL  72  67.402   6.969  -1.551
  530   2HG1  VAL  72          HG11      VAL  72  67.301   5.599  -0.443
  531   3HG1  VAL  72          HG13      VAL  72  68.800   5.913  -1.322
  532   1HG2  VAL  72          HG22      VAL  72  65.300   4.650  -3.341
  533   2HG2  VAL  72          HG21      VAL  72  65.579   3.939  -1.752
  534   3HG2  VAL  72          HG23      VAL  72  65.270   5.669  -1.902
  535    H    ASP  73           HN       ASP  73  69.559   4.665  -4.866
  536    HA   ASP  73           HA       ASP  73  67.961   3.053  -6.826
  537   1HB   ASP  73           HB2      ASP  73  70.856   3.925  -7.045
  538   2HB   ASP  73           HB1      ASP  73  69.801   3.351  -8.337
  539    H    PHE  74           HN       PHE  74  69.672   1.118  -7.526
  540    HA   PHE  74           HA       PHE  74  69.798  -0.670  -5.331
  541   1HB   PHE  74           HB2      PHE  74  70.297  -0.660  -8.078
  542   2HB   PHE  74           HB1      PHE  74  71.858  -1.079  -7.370
  543    HD1  PHE  74           HD1      PHE  74  68.460  -1.793  -6.034
  544    HD2  PHE  74           HD2      PHE  74  72.034  -3.401  -7.779
  545    HE1  PHE  74           HE1      PHE  74  67.640  -4.094  -5.588
  546    HE2  PHE  74           HE2      PHE  74  71.219  -5.704  -7.336
  547    HZ   PHE  74           HZ       PHE  74  69.020  -6.049  -6.240
  548    H    ASP  75           HN       ASP  75  72.019   1.802  -6.393
  549    HA   ASP  75           HA       ASP  75  74.337   0.881  -4.914
  550   1HB   ASP  75           HB2      ASP  75  73.433   3.472  -6.182
  551   2HB   ASP  75           HB1      ASP  75  74.986   3.340  -5.354
  552    H    GLU  76           HN       GLU  76  71.821   3.354  -4.267
  553    HA   GLU  76           HA       GLU  76  72.912   3.985  -1.630
  554   1HB   GLU  76           HB2      GLU  76  70.304   4.628  -3.043
  555   2HB   GLU  76           HB1      GLU  76  70.829   5.371  -1.532
  556   1HG   GLU  76           HG2      GLU  76  72.774   5.419  -3.784
  557   2HG   GLU  76           HG1      GLU  76  71.361   6.462  -3.939
  558    H    PHE  77           HN       PHE  77  69.839   2.472  -2.725
  559    HA   PHE  77           HA       PHE  77  68.723   1.715  -0.313
  560   1HB   PHE  77           HB2      PHE  77  67.827   1.310  -2.602
  561   2HB   PHE  77           HB1      PHE  77  69.001   0.011  -2.810
  562    HD1  PHE  77           HD1      PHE  77  67.213   0.833   0.343
  563    HD2  PHE  77           HD2      PHE  77  67.514  -1.858  -2.993
  564    HE1  PHE  77           HE1      PHE  77  65.675  -0.747   1.477
  565    HE2  PHE  77           HE2      PHE  77  65.975  -3.436  -1.859
  566    HZ   PHE  77           HZ       PHE  77  65.055  -2.881   0.376
  567    H    LEU  78           HN       LEU  78  71.084  -0.289  -2.133
  568    HA   LEU  78           HA       LEU  78  71.411  -2.344  -0.225
  569   1HB   LEU  78           HB2      LEU  78  73.132  -1.063  -2.340
  570   2HB   LEU  78           HB1      LEU  78  73.788  -2.360  -1.341
  571    HG   LEU  78           HG       LEU  78  71.198  -2.571  -2.901
  572   1HD1  LEU  78          HD11      LEU  78  73.966  -2.794  -3.753
  573   2HD1  LEU  78          HD13      LEU  78  73.119  -4.329  -3.951
  574   3HD1  LEU  78          HD12      LEU  78  72.493  -2.872  -4.721
  575   1HD2  LEU  78          HD23      LEU  78  72.557  -4.201  -0.896
  576   2HD2  LEU  78          HD22      LEU  78  70.922  -4.356  -1.541
  577   3HD2  LEU  78          HD21      LEU  78  72.280  -5.093  -2.391
  578    H    VAL  79           HN       VAL  79  73.258   0.711  -0.551
  579    HA   VAL  79           HA       VAL  79  75.040   0.332   1.625
  580    HB   VAL  79           HB       VAL  79  73.732   2.823   0.485
  581   1HG1  VAL  79          HG11      VAL  79  75.128   2.698   2.833
  582   2HG1  VAL  79          HG13      VAL  79  76.431   2.976   1.678
  583   3HG1  VAL  79          HG12      VAL  79  75.088   4.113   1.783
  584   1HG2  VAL  79          HG21      VAL  79  75.318   1.039  -0.812
  585   2HG2  VAL  79          HG23      VAL  79  75.313   2.766  -1.169
  586   3HG2  VAL  79          HG22      VAL  79  76.546   2.089  -0.105
  587    H    MET  80           HN       MET  80  71.832   1.918   1.565
  588    HA   MET  80           HA       MET  80  71.783   2.413   4.426
  589   1HB   MET  80           HB2      MET  80  69.804   2.449   2.143
  590   2HB   MET  80           HB1      MET  80  69.290   2.780   3.797
  591   1HG   MET  80           HG2      MET  80  71.420   4.409   3.708
  592   2HG   MET  80           HG1      MET  80  71.020   4.400   1.990
  593   1HE   MET  80           HE1      MET  80  68.330   4.252   1.414
  594   2HE   MET  80           HE3      MET  80  67.574   5.831   1.665
  595   3HE   MET  80           HE2      MET  80  69.168   5.721   0.924
  596    H    MET  81           HN       MET  81  71.023  -0.311   2.399
  597    HA   MET  81           HA       MET  81  69.139  -1.645   4.130
  598   1HB   MET  81           HB2      MET  81  70.931  -2.308   1.822
  599   2HB   MET  81           HB1      MET  81  70.215  -3.643   2.726
  600   1HG   MET  81           HG2      MET  81  68.117  -1.817   2.357
  601   2HG   MET  81           HG1      MET  81  68.965  -1.854   0.811
  602   1HE   MET  81           HE2      MET  81  66.471  -3.360   3.056
  603   2HE   MET  81           HE1      MET  81  66.571  -5.110   2.888
  604   3HE   MET  81           HE3      MET  81  67.845  -4.225   3.738
  605    H    VAL  82           HN       VAL  82  72.586  -2.438   3.509
  606    HA   VAL  82           HA       VAL  82  72.858  -4.208   5.739
  607    HB   VAL  82           HB       VAL  82  75.300  -3.842   5.265
  608   1HG1  VAL  82          HG12      VAL  82  73.480  -5.157   3.779
  609   2HG1  VAL  82          HG11      VAL  82  74.016  -3.980   2.579
  610   3HG1  VAL  82          HG13      VAL  82  75.183  -5.072   3.326
  611   1HG2  VAL  82          HG22      VAL  82  74.162  -1.437   4.034
  612   2HG2  VAL  82          HG21      VAL  82  75.823  -1.763   4.529
  613   3HG2  VAL  82          HG23      VAL  82  75.250  -2.306   2.951
  614    H    ARG  83           HN       ARG  83  72.646  -0.785   5.618
  615    HA   ARG  83           HA       ARG  83  74.073  -0.454   8.216
  616   1HB   ARG  83           HB2      ARG  83  74.064   0.985   5.891
  617   2HB   ARG  83           HB1      ARG  83  72.848   1.856   6.827
  618   1HG   ARG  83           HG2      ARG  83  74.892   1.373   8.663
  619   2HG   ARG  83           HG1      ARG  83  75.743   1.788   7.174
  620   1HD   ARG  83           HD2      ARG  83  75.030   3.960   7.236
  621   2HD   ARG  83           HD1      ARG  83  73.405   3.505   7.784
  622    HE   ARG  83           HE       ARG  83  74.159   3.810   9.996
  623   1HH1  ARG  83          HH11      ARG  83  75.922   2.110  10.958
  624   2HH1  ARG  83          HH12      ARG  83  77.514   2.772  10.808
  625   1HH2  ARG  83          HH21      ARG  83  76.591   5.147   8.455
  626   2HH2  ARG  83          HH22      ARG  83  77.893   4.493   9.392
  627    H    CYS  84           HN       CYS  84  71.179  -1.554   7.554
  628    HA   CYS  84           HA       CYS  84  69.693   0.282   9.402
  629   1HB   CYS  84           HB2      CYS  84  69.100  -0.535   6.865
  630   2HB   CYS  84           HB1      CYS  84  68.265  -1.770   7.809
  631    HG   CYS  84           HG       CYS  84  66.878   0.096   8.976
  632    H    MET  85           HN       MET  85  71.198  -2.756   9.208
  633    HA   MET  85           HA       MET  85  69.640  -3.711  11.587
  634   1HB   MET  85           HB2      MET  85  70.107  -6.024  10.554
  635   2HB   MET  85           HB1      MET  85  68.916  -5.020   9.728
  636   1HG   MET  85           HG2      MET  85  70.667  -4.246   8.159
  637   2HG   MET  85           HG1      MET  85  71.840  -5.284   8.970
  638   1HE   MET  85           HE1      MET  85  72.228  -6.001   6.436
  639   2HE   MET  85           HE3      MET  85  71.056  -6.891   5.454
  640   3HE   MET  85           HE2      MET  85  70.800  -5.184   5.807
  641    H    LYS  86           HN       LYS  86  72.718  -3.703   9.816
  642    HA   LYS  86           HA       LYS  86  74.164  -5.116  11.937
  643   1HB   LYS  86           HB2      LYS  86  74.816  -3.718   9.346
  644   2HB   LYS  86           HB1      LYS  86  76.107  -4.267  10.415
  645   1HG   LYS  86           HG2      LYS  86  73.871  -6.078   9.477
  646   2HG   LYS  86           HG1      LYS  86  75.408  -5.929   8.623
  647   1HD   LYS  86           HD2      LYS  86  76.636  -6.704  10.553
  648   2HD   LYS  86           HD1      LYS  86  75.185  -6.656  11.556
  649   1HE   LYS  86           HE2      LYS  86  74.996  -8.870  11.008
  650   2HE   LYS  86           HE1      LYS  86  74.392  -8.269   9.451
  651   1HZ   LYS  86           HZ3      LYS  86  76.946  -7.976   9.009
  652   2HZ   LYS  86           HZ2      LYS  86  77.074  -9.217  10.162
  653   3HZ   LYS  86           HZ1      LYS  86  76.184  -9.467   8.737
  654    H    ASP  87           HN       ASP  87  72.928  -3.013  13.200
  655    HA   ASP  87           HA       ASP  87  74.694  -0.662  13.289
  656   1HB   ASP  87           HB2      ASP  87  73.029   0.113  14.911
  657   2HB   ASP  87           HB1      ASP  87  72.206  -0.602  13.524
  658    H    ASP  88           HN       ASP  88  76.190  -2.950  13.917
  659    HA   ASP  88           HA       ASP  88  76.303  -3.555  16.731
  660   1HB   ASP  88           HB2      ASP  88  78.491  -4.536  16.074
  661   2HB   ASP  88           HB1      ASP  88  77.221  -4.966  14.928
  662    H    SER  89           HN       SER  89  78.810  -3.141  17.635
  663    HA   SER  89           HA       SER  89  79.838  -0.462  17.155
  664   1HB   SER  89           HB2      SER  89  79.056   0.503  19.276
  665   2HB   SER  89           HB1      SER  89  77.678  -0.025  18.316
  666    HG   SER  89           HG       SER  89  78.072  -2.101  19.587
   
  No H/Q in entry =         666
  Start of MODEL   11
    1   1H    MET   1           HT3      MET   1  90.833   7.306  -2.789
    2   2H    MET   1           HT2      MET   1  89.588   8.070  -3.658
    3   3H    MET   1           HT1      MET   1  90.685   8.995  -2.750
    4    HA   MET   1           HA       MET   1  89.780   8.322  -0.712
    5   1HB   MET   1           HB2      MET   1  88.226   9.364  -2.883
    6   2HB   MET   1           HB1      MET   1  87.172   8.366  -1.882
    7   1HG   MET   1           HG2      MET   1  88.186   9.610   0.130
    8   2HG   MET   1           HG1      MET   1  88.811  10.761  -1.051
    9   1HE   MET   1           HE2      MET   1  87.196  11.613  -3.051
   10   2HE   MET   1           HE1      MET   1  85.962  12.682  -2.389
   11   3HE   MET   1           HE3      MET   1  87.616  12.742  -1.765
   12    H    ASP   2           HN       ASP   2  89.346   6.496   0.467
   13    HA   ASP   2           HA       ASP   2  88.545   4.022  -0.954
   14   1HB   ASP   2           HB2      ASP   2  90.096   4.803   1.345
   15   2HB   ASP   2           HB1      ASP   2  88.860   3.648   1.846
   16    H    ASP   3           HN       ASP   3  86.591   2.937  -0.534
   17    HA   ASP   3           HA       ASP   3  84.616   4.404   1.187
   18   1HB   ASP   3           HB2      ASP   3  84.366   2.902  -1.432
   19   2HB   ASP   3           HB1      ASP   3  82.964   3.376  -0.473
   20    H    ILE   4           HN       ILE   4  83.497   3.159   2.692
   21    HA   ILE   4           HA       ILE   4  84.375   0.337   3.018
   22    HB   ILE   4           HB       ILE   4  83.526   0.633   5.269
   23   1HG1  ILE   4          HG12      ILE   4  82.364   3.252   4.261
   24   2HG1  ILE   4          HG11      ILE   4  81.429   1.797   4.613
   25   1HG2  ILE   4          HG22      ILE   4  85.456   2.336   4.077
   26   2HG2  ILE   4          HG21      ILE   4  84.523   3.334   5.193
   27   3HG2  ILE   4          HG23      ILE   4  85.330   1.879   5.777
   28   1HD1  ILE   4          HD12      ILE   4  82.576   1.931   6.959
   29   2HD1  ILE   4          HD11      ILE   4  82.882   3.612   6.521
   30   3HD1  ILE   4          HD13      ILE   4  81.226   3.010   6.607
   31    H    TYR   5           HN       TYR   5  81.454   2.270   2.461
   32    HA   TYR   5           HA       TYR   5  79.540   0.152   2.797
   33   1HB   TYR   5           HB2      TYR   5  79.488   2.670   1.101
   34   2HB   TYR   5           HB1      TYR   5  78.073   1.748   1.608
   35    HD1  TYR   5           HD1      TYR   5  77.430   1.639   4.003
   36    HD2  TYR   5           HD2      TYR   5  80.662   4.116   2.636
   37    HE1  TYR   5           HE1      TYR   5  77.383   2.882   6.147
   38    HE2  TYR   5           HE2      TYR   5  80.615   5.361   4.781
   39    HH   TYR   5           HH       TYR   5  79.855   4.876   7.169
   40    H    LYS   6           HN       LYS   6  81.899   0.688   0.387
   41    HA   LYS   6           HA       LYS   6  80.514  -0.321  -1.935
   42   1HB   LYS   6           HB2      LYS   6  82.830   0.947  -1.480
   43   2HB   LYS   6           HB1      LYS   6  83.451  -0.704  -1.525
   44   1HG   LYS   6           HG2      LYS   6  82.797  -1.034  -3.745
   45   2HG   LYS   6           HG1      LYS   6  81.577   0.239  -3.678
   46   1HD   LYS   6           HD2      LYS   6  84.029   1.507  -3.107
   47   2HD   LYS   6           HD1      LYS   6  84.353   0.429  -4.466
   48   1HE   LYS   6           HE2      LYS   6  81.922   2.231  -4.447
   49   2HE   LYS   6           HE1      LYS   6  83.492   2.791  -5.057
   50   1HZ   LYS   6           HZ1      LYS   6  83.509   0.584  -6.323
   51   2HZ   LYS   6           HZ3      LYS   6  81.840   0.539  -6.023
   52   3HZ   LYS   6           HZ2      LYS   6  82.507   1.822  -6.914
   53    H    ALA   7           HN       ALA   7  82.338  -1.853   0.691
   54    HA   ALA   7           HA       ALA   7  82.340  -4.498  -0.551
   55   1HB   ALA   7           HB3      ALA   7  83.961  -3.427   1.163
   56   2HB   ALA   7           HB2      ALA   7  82.737  -3.828   2.368
   57   3HB   ALA   7           HB1      ALA   7  83.502  -5.109   1.427
   58    H    ALA   8           HN       ALA   8  80.192  -2.670   1.510
   59    HA   ALA   8           HA       ALA   8  78.735  -4.621   2.883
   60   1HB   ALA   8           HB2      ALA   8  78.079  -2.016   1.529
   61   2HB   ALA   8           HB1      ALA   8  76.787  -2.945   2.290
   62   3HB   ALA   8           HB3      ALA   8  78.153  -2.380   3.253
   63    H    VAL   9           HN       VAL   9  78.200  -3.518  -0.485
   64    HA   VAL   9           HA       VAL   9  76.094  -5.455  -0.994
   65    HB   VAL   9           HB       VAL   9  77.844  -3.692  -2.733
   66   1HG1  VAL   9          HG13      VAL   9  76.929  -5.697  -3.950
   67   2HG1  VAL   9          HG12      VAL   9  75.308  -5.159  -3.512
   68   3HG1  VAL   9          HG11      VAL   9  76.317  -4.158  -4.556
   69   1HG2  VAL   9          HG21      VAL   9  75.120  -3.457  -1.468
   70   2HG2  VAL   9          HG23      VAL   9  76.451  -2.300  -1.445
   71   3HG2  VAL   9          HG22      VAL   9  75.511  -2.535  -2.919
   72    H    GLU  10           HN       GLU  10  79.515  -5.212  -2.053
   73    HA   GLU  10           HA       GLU  10  79.731  -7.554  -3.567
   74   1HB   GLU  10           HB2      GLU  10  81.716  -6.457  -1.546
   75   2HB   GLU  10           HB1      GLU  10  82.103  -7.429  -2.966
   76   1HG   GLU  10           HG2      GLU  10  80.486  -5.148  -3.717
   77   2HG   GLU  10           HG1      GLU  10  81.923  -4.623  -2.840
   78    H    GLN  11           HN       GLN  11  79.388  -7.221  -0.093
   79    HA   GLN  11           HA       GLN  11  80.314  -9.833   0.681
   80   1HB   GLN  11           HB2      GLN  11  78.828  -7.536   1.788
   81   2HB   GLN  11           HB1      GLN  11  78.424  -9.083   2.533
   82   1HG   GLN  11           HG2      GLN  11  80.474  -9.293   3.503
   83   2HG   GLN  11           HG1      GLN  11  81.313  -8.638   2.096
   84   1HE2  GLN  11          HE22      GLN  11  79.609  -5.709   4.405
   85   2HE2  GLN  11          HE21      GLN  11  78.663  -7.009   3.862
   86    H    LEU  12           HN       LEU  12  77.186  -8.594  -0.431
   87    HA   LEU  12           HA       LEU  12  75.697 -11.018   0.169
   88   1HB   LEU  12           HB2      LEU  12  75.133  -8.765  -1.786
   89   2HB   LEU  12           HB1      LEU  12  73.944  -9.858  -1.072
   90    HG   LEU  12           HG       LEU  12  75.722  -8.243   0.729
   91   1HD1  LEU  12          HD13      LEU  12  74.288  -6.962  -1.213
   92   2HD1  LEU  12          HD12      LEU  12  73.089  -7.068   0.077
   93   3HD1  LEU  12          HD11      LEU  12  74.636  -6.272   0.372
   94   1HD2  LEU  12          HD23      LEU  12  74.156 -10.075   1.526
   95   2HD2  LEU  12          HD22      LEU  12  73.875  -8.495   2.258
   96   3HD2  LEU  12          HD21      LEU  12  72.816  -9.071   0.971
   97    H    THR  13           HN       THR  13  74.739 -12.400  -1.562
   98    HA   THR  13           HA       THR  13  76.673 -12.798  -3.817
   99    HB   THR  13           HB       THR  13  75.923 -15.139  -3.693
  100    HG1  THR  13           HG1      THR  13  74.409 -15.693  -2.086
  101   1HG2  THR  13          HG21      THR  13  77.255 -13.703  -1.616
  102   2HG2  THR  13          HG23      THR  13  76.264 -14.952  -0.864
  103   3HG2  THR  13          HG22      THR  13  77.463 -15.392  -2.079
  104    H    GLU  14           HN       GLU  14  75.633 -13.664  -5.850
  105    HA   GLU  14           HA       GLU  14  73.643 -11.986  -6.907
  106   1HB   GLU  14           HB2      GLU  14  75.182 -13.450  -8.178
  107   2HB   GLU  14           HB1      GLU  14  74.310 -14.869  -7.594
  108   1HG   GLU  14           HG2      GLU  14  73.188 -14.598  -9.579
  109   2HG   GLU  14           HG1      GLU  14  72.233 -13.485  -8.598
  110    H    GLU  15           HN       GLU  15  73.237 -15.268  -5.530
  111    HA   GLU  15           HA       GLU  15  70.499 -15.660  -5.908
  112   1HB   GLU  15           HB2      GLU  15  72.306 -16.274  -3.549
  113   2HB   GLU  15           HB1      GLU  15  70.704 -16.981  -3.759
  114   1HG   GLU  15           HG2      GLU  15  71.524 -18.513  -5.186
  115   2HG   GLU  15           HG1      GLU  15  72.189 -17.241  -6.213
  116    H    GLN  16           HN       GLN  16  72.040 -13.973  -3.142
  117    HA   GLN  16           HA       GLN  16  69.544 -13.176  -1.925
  118   1HB   GLN  16           HB2      GLN  16  72.428 -12.273  -1.727
  119   2HB   GLN  16           HB1      GLN  16  71.156 -11.611  -0.700
  120   1HG   GLN  16           HG2      GLN  16  71.176 -14.552  -0.835
  121   2HG   GLN  16           HG1      GLN  16  72.622 -13.856  -0.105
  122   1HE2  GLN  16          HE22      GLN  16  70.579 -13.949   2.844
  123   2HE2  GLN  16          HE21      GLN  16  71.766 -14.805   1.986
  124    H    LYS  17           HN       LYS  17  71.756 -11.636  -4.237
  125    HA   LYS  17           HA       LYS  17  70.640  -9.011  -4.206
  126   1HB   LYS  17           HB2      LYS  17  72.281 -10.725  -6.009
  127   2HB   LYS  17           HB1      LYS  17  71.558  -9.286  -6.727
  128   1HG   LYS  17           HG2      LYS  17  72.488  -8.089  -4.580
  129   2HG   LYS  17           HG1      LYS  17  73.566  -9.483  -4.504
  130   1HD   LYS  17           HD2      LYS  17  73.506  -8.600  -7.212
  131   2HD   LYS  17           HD1      LYS  17  73.762  -7.180  -6.198
  132   1HE   LYS  17           HE2      LYS  17  75.395  -9.745  -6.126
  133   2HE   LYS  17           HE1      LYS  17  75.940  -8.162  -6.716
  134   1HZ   LYS  17           HZ2      LYS  17  75.091  -7.373  -4.408
  135   2HZ   LYS  17           HZ1      LYS  17  75.315  -8.998  -3.965
  136   3HZ   LYS  17           HZ3      LYS  17  76.627  -8.089  -4.535
  137    H    ASN  18           HN       ASN  18  69.350 -11.982  -5.385
  138    HA   ASN  18           HA       ASN  18  67.647 -10.864  -7.470
  139   1HB   ASN  18           HB2      ASN  18  68.049 -13.455  -6.029
  140   2HB   ASN  18           HB1      ASN  18  66.538 -13.231  -6.911
  141   1HD2  ASN  18          HD22      ASN  18  69.322 -14.569  -9.164
  142   2HD2  ASN  18          HD21      ASN  18  68.819 -15.047  -7.614
  143    H    GLU  19           HN       GLU  19  67.358 -11.443  -4.005
  144    HA   GLU  19           HA       GLU  19  64.501 -11.232  -3.790
  145   1HB   GLU  19           HB2      GLU  19  66.819 -10.690  -1.915
  146   2HB   GLU  19           HB1      GLU  19  65.136 -10.681  -1.390
  147   1HG   GLU  19           HG2      GLU  19  64.856 -12.975  -1.819
  148   2HG   GLU  19           HG1      GLU  19  66.254 -13.039  -2.894
  149    H    PHE  20           HN       PHE  20  66.982  -8.787  -2.916
  150    HA   PHE  20           HA       PHE  20  65.163  -6.604  -2.674
  151   1HB   PHE  20           HB2      PHE  20  68.098  -7.040  -3.012
  152   2HB   PHE  20           HB1      PHE  20  67.491  -5.403  -3.267
  153    HD1  PHE  20           HD2      PHE  20  65.252  -5.248  -1.377
  154    HD2  PHE  20           HD1      PHE  20  69.138  -7.012  -0.897
  155    HE1  PHE  20           HE2      PHE  20  65.096  -4.920   1.075
  156    HE2  PHE  20           HE1      PHE  20  68.983  -6.685   1.556
  157    HZ   PHE  20           HZ       PHE  20  66.962  -5.639   2.543
  158    H    LYS  21           HN       LYS  21  66.479  -8.180  -5.468
  159    HA   LYS  21           HA       LYS  21  66.219  -5.951  -7.319
  160   1HB   LYS  21           HB2      LYS  21  67.742  -7.795  -7.732
  161   2HB   LYS  21           HB1      LYS  21  66.424  -8.963  -7.620
  162   1HG   LYS  21           HG2      LYS  21  65.830  -8.630  -9.771
  163   2HG   LYS  21           HG1      LYS  21  65.853  -6.878  -9.575
  164   1HD   LYS  21           HD2      LYS  21  67.701  -6.888 -10.874
  165   2HD   LYS  21           HD1      LYS  21  68.543  -7.578  -9.485
  166   1HE   LYS  21           HE2      LYS  21  68.369  -9.776 -10.308
  167   2HE   LYS  21           HE1      LYS  21  67.014  -9.365 -11.379
  168   1HZ   LYS  21           HZ2      LYS  21  68.502  -7.897 -12.616
  169   2HZ   LYS  21           HZ1      LYS  21  69.801  -8.361 -11.626
  170   3HZ   LYS  21           HZ3      LYS  21  69.064  -9.500 -12.644
  171    H    ALA  22           HN       ALA  22  64.267  -8.898  -6.713
  172    HA   ALA  22           HA       ALA  22  62.136  -8.093  -8.513
  173   1HB   ALA  22           HB1      ALA  22  62.525 -10.176  -6.358
  174   2HB   ALA  22           HB3      ALA  22  60.993 -10.019  -7.217
  175   3HB   ALA  22           HB2      ALA  22  62.464 -10.412  -8.105
  176    H    ALA  23           HN       ALA  23  63.059  -6.869  -5.547
  177    HA   ALA  23           HA       ALA  23  60.239  -6.143  -4.819
  178   1HB   ALA  23           HB1      ALA  23  62.760  -6.363  -3.139
  179   2HB   ALA  23           HB3      ALA  23  61.167  -5.922  -2.524
  180   3HB   ALA  23           HB2      ALA  23  61.445  -7.536  -3.178
  181    H    PHE  24           HN       PHE  24  63.228  -4.960  -5.973
  182    HA   PHE  24           HA       PHE  24  62.721  -2.200  -4.970
  183   1HB   PHE  24           HB2      PHE  24  64.959  -3.191  -4.727
  184   2HB   PHE  24           HB1      PHE  24  65.028  -3.488  -6.464
  185    HD1  PHE  24           HD2      PHE  24  64.612  -1.385  -7.995
  186    HD2  PHE  24           HD1      PHE  24  65.832  -1.195  -3.881
  187    HE1  PHE  24           HE2      PHE  24  65.473   0.913  -8.357
  188    HE2  PHE  24           HE1      PHE  24  66.694   1.103  -4.242
  189    HZ   PHE  24           HZ       PHE  24  66.513   2.157  -6.480
  190    H    ASP  25           HN       ASP  25  63.617  -3.758  -8.080
  191    HA   ASP  25           HA       ASP  25  63.067  -1.595  -9.794
  192   1HB   ASP  25           HB2      ASP  25  63.146  -4.570  -9.950
  193   2HB   ASP  25           HB1      ASP  25  62.400  -3.727 -11.309
  194    H    ILE  26           HN       ILE  26  60.854  -3.627  -8.036
  195    HA   ILE  26           HA       ILE  26  58.519  -3.066  -9.707
  196    HB   ILE  26           HB       ILE  26  58.813  -4.127  -6.879
  197   1HG1  ILE  26          HG12      ILE  26  58.898  -5.419  -9.611
  198   2HG1  ILE  26          HG11      ILE  26  60.048  -5.588  -8.284
  199   1HG2  ILE  26          HG22      ILE  26  56.548  -4.329  -8.891
  200   2HG2  ILE  26          HG21      ILE  26  56.589  -5.125  -7.317
  201   3HG2  ILE  26          HG23      ILE  26  56.531  -3.365  -7.414
  202   1HD1  ILE  26          HD13      ILE  26  58.099  -6.621  -6.958
  203   2HD1  ILE  26          HD12      ILE  26  57.273  -6.752  -8.511
  204   3HD1  ILE  26          HD11      ILE  26  58.796  -7.601  -8.248
  205    H    PHE  27           HN       PHE  27  60.304  -1.103  -7.717
  206    HA   PHE  27           HA       PHE  27  57.909   0.582  -7.088
  207   1HB   PHE  27           HB2      PHE  27  60.229  -0.258  -5.336
  208   2HB   PHE  27           HB1      PHE  27  59.192   1.111  -4.931
  209    HD1  PHE  27           HD1      PHE  27  59.207  -2.551  -5.600
  210    HD2  PHE  27           HD2      PHE  27  56.999   0.791  -4.045
  211    HE1  PHE  27           HE1      PHE  27  57.515  -4.103  -4.662
  212    HE2  PHE  27           HE2      PHE  27  55.308  -0.762  -3.108
  213    HZ   PHE  27           HZ       PHE  27  55.566  -3.208  -3.417
  214    H    VAL  28           HN       VAL  28  59.933   0.753  -9.285
  215    HA   VAL  28           HA       VAL  28  61.354   3.273  -8.516
  216    HB   VAL  28           HB       VAL  28  61.865   1.798 -11.073
  217   1HG1  VAL  28          HG13      VAL  28  63.637   3.093  -8.980
  218   2HG1  VAL  28          HG12      VAL  28  64.194   2.426 -10.514
  219   3HG1  VAL  28          HG11      VAL  28  63.126   3.829 -10.498
  220   1HG2  VAL  28          HG23      VAL  28  62.474   0.740  -8.311
  221   2HG2  VAL  28          HG22      VAL  28  61.832  -0.129  -9.705
  222   3HG2  VAL  28          HG21      VAL  28  63.526   0.361  -9.675
  223    H    LEU  29           HN       LEU  29  61.604   3.653 -11.535
  224    HA   LEU  29           HA       LEU  29  59.112   4.019 -12.812
  225   1HB   LEU  29           HB2      LEU  29  58.757   6.465 -12.274
  226   2HB   LEU  29           HB1      LEU  29  58.526   5.411 -10.890
  227    HG   LEU  29           HG       LEU  29  61.312   6.222 -11.168
  228   1HD1  LEU  29          HD13      LEU  29  59.184   8.265 -11.402
  229   2HD1  LEU  29          HD12      LEU  29  60.398   8.591 -10.165
  230   3HD1  LEU  29          HD11      LEU  29  60.889   8.359 -11.844
  231   1HD2  LEU  29          HD23      LEU  29  59.417   5.547  -9.167
  232   2HD2  LEU  29          HD22      LEU  29  61.135   5.880  -8.947
  233   3HD2  LEU  29          HD21      LEU  29  59.959   7.187  -8.812
  234    H    GLY  30           HN       GLY  30  60.072   6.993 -13.387
  235   1HA   GLY  30           HA2      GLY  30  62.204   6.167 -15.307
  236   2HA   GLY  30           HA1      GLY  30  61.082   7.501 -15.587
  237    H    ALA  31           HN       ALA  31  62.769   6.767 -12.575
  238    HA   ALA  31           HA       ALA  31  63.562   9.461 -12.083
  239   1HB   ALA  31           HB1      ALA  31  63.504   7.038 -10.763
  240   2HB   ALA  31           HB3      ALA  31  65.236   7.325 -10.938
  241   3HB   ALA  31           HB2      ALA  31  64.224   8.515 -10.121
  242    H    GLU  32           HN       GLU  32  66.361   8.955 -11.381
  243    HA   GLU  32           HA       GLU  32  67.624   9.778 -13.848
  244   1HB   GLU  32           HB2      GLU  32  68.169  10.263 -11.352
  245   2HB   GLU  32           HB1      GLU  32  69.015   8.715 -11.390
  246   1HG   GLU  32           HG2      GLU  32  70.697   9.514 -12.704
  247   2HG   GLU  32           HG1      GLU  32  69.609  10.530 -13.650
  248    H    ASP  33           HN       ASP  33  67.843   6.774 -11.903
  249    HA   ASP  33           HA       ASP  33  68.121   5.094 -14.245
  250   1HB   ASP  33           HB2      ASP  33  70.283   6.126 -14.411
  251   2HB   ASP  33           HB1      ASP  33  70.567   5.952 -12.679
  252    H    GLY  34           HN       GLY  34  66.445   4.082 -12.831
  253   1HA   GLY  34           HA2      GLY  34  65.843   2.285 -11.437
  254   2HA   GLY  34           HA1      GLY  34  67.561   1.945 -11.231
  255    H    CYS  35           HN       CYS  35  65.525   4.769 -10.396
  256    HA   CYS  35           HA       CYS  35  66.543   4.509  -7.583
  257   1HB   CYS  35           HB2      CYS  35  65.861   7.027  -9.132
  258   2HB   CYS  35           HB1      CYS  35  66.642   6.938  -7.553
  259    HG   CYS  35           HG       CYS  35  68.498   7.207  -9.416
  260    H    ILE  36           HN       ILE  36  64.962   4.572  -5.995
  261    HA   ILE  36           HA       ILE  36  62.137   4.913  -6.914
  262    HB   ILE  36           HB       ILE  36  61.605   3.509  -5.012
  263   1HG1  ILE  36          HG12      ILE  36  64.534   3.581  -4.244
  264   2HG1  ILE  36          HG11      ILE  36  63.339   4.664  -3.525
  265   1HG2  ILE  36          HG22      ILE  36  63.185   2.704  -7.136
  266   2HG2  ILE  36          HG21      ILE  36  64.054   2.069  -5.738
  267   3HG2  ILE  36          HG23      ILE  36  62.368   1.624  -6.005
  268   1HD1  ILE  36          HD12      ILE  36  62.338   1.957  -3.517
  269   2HD1  ILE  36          HD11      ILE  36  63.923   2.014  -2.745
  270   3HD1  ILE  36          HD13      ILE  36  62.614   3.037  -2.151
  271    H    SER  37           HN       SER  37  60.679   5.858  -5.123
  272    HA   SER  37           HA       SER  37  61.861   8.408  -4.216
  273   1HB   SER  37           HB2      SER  37  59.648   8.228  -5.347
  274   2HB   SER  37           HB1      SER  37  59.061   7.248  -4.006
  275    HG   SER  37           HG       SER  37  58.607   9.572  -3.910
  276    H    THR  38           HN       THR  38  62.580   8.706  -2.141
  277    HA   THR  38           HA       THR  38  62.962   6.801  -0.186
  278    HB   THR  38           HB       THR  38  62.790   8.807   1.401
  279    HG1  THR  38           HG1      THR  38  61.266  10.030   0.411
  280   1HG2  THR  38          HG22      THR  38  64.428   8.670  -1.100
  281   2HG2  THR  38          HG21      THR  38  64.551  10.111  -0.091
  282   3HG2  THR  38          HG23      THR  38  64.939   8.528   0.582
  283    H    LYS  39           HN       LYS  39  59.944   8.484  -0.912
  284    HA   LYS  39           HA       LYS  39  58.464   7.840   1.434
  285   1HB   LYS  39           HB2      LYS  39  57.932   8.533  -1.421
  286   2HB   LYS  39           HB1      LYS  39  56.583   7.887  -0.486
  287   1HG   LYS  39           HG2      LYS  39  57.385   9.633   1.320
  288   2HG   LYS  39           HG1      LYS  39  58.127  10.425  -0.071
  289   1HD   LYS  39           HD2      LYS  39  55.978  10.536  -1.213
  290   2HD   LYS  39           HD1      LYS  39  55.207   9.625   0.088
  291   1HE   LYS  39           HE2      LYS  39  56.682  12.113   0.853
  292   2HE   LYS  39           HE1      LYS  39  55.114  12.299   0.044
  293   1HZ   LYS  39           HZ1      LYS  39  54.538  10.323   1.696
  294   2HZ   LYS  39           HZ3      LYS  39  55.733  11.088   2.625
  295   3HZ   LYS  39           HZ2      LYS  39  54.355  11.953   2.136
  296    H    GLU  40           HN       GLU  40  59.181   5.945  -1.473
  297    HA   GLU  40           HA       GLU  40  57.371   3.760  -0.719
  298   1HB   GLU  40           HB2      GLU  40  59.580   3.952  -2.794
  299   2HB   GLU  40           HB1      GLU  40  58.290   2.750  -2.759
  300   1HG   GLU  40           HG2      GLU  40  57.363   5.552  -2.648
  301   2HG   GLU  40           HG1      GLU  40  58.155   5.096  -4.156
  302    H    LEU  41           HN       LEU  41  60.819   4.511  -0.459
  303    HA   LEU  41           HA       LEU  41  62.038   2.093   0.075
  304   1HB   LEU  41           HB2      LEU  41  62.809   4.595   0.248
  305   2HB   LEU  41           HB1      LEU  41  62.386   4.425   1.953
  306    HG   LEU  41           HG       LEU  41  63.880   2.458   2.120
  307   1HD1  LEU  41          HD12      LEU  41  63.861   2.784  -0.782
  308   2HD1  LEU  41          HD11      LEU  41  65.498   2.661  -0.138
  309   3HD1  LEU  41          HD13      LEU  41  64.325   1.383   0.183
  310   1HD2  LEU  41          HD21      LEU  41  64.992   5.070   1.089
  311   2HD2  LEU  41          HD23      LEU  41  64.932   4.486   2.752
  312   3HD2  LEU  41          HD22      LEU  41  66.057   3.762   1.603
  313    H    GLY  42           HN       GLY  42  59.718   3.790   2.133
  314   1HA   GLY  42           HA2      GLY  42  60.106   2.262   4.517
  315   2HA   GLY  42           HA1      GLY  42  58.617   3.108   4.091
  316    H    LYS  43           HN       LYS  43  57.490   1.914   2.085
  317    HA   LYS  43           HA       LYS  43  56.496  -0.573   3.006
  318   1HB   LYS  43           HB2      LYS  43  56.654   0.691   0.253
  319   2HB   LYS  43           HB1      LYS  43  55.658  -0.717   0.623
  320   1HG   LYS  43           HG2      LYS  43  54.201   0.494   1.973
  321   2HG   LYS  43           HG1      LYS  43  55.406   1.730   2.338
  322   1HD   LYS  43           HD2      LYS  43  55.078   2.842   0.320
  323   2HD   LYS  43           HD1      LYS  43  54.475   1.398  -0.495
  324   1HE   LYS  43           HE2      LYS  43  52.881   2.462   1.810
  325   2HE   LYS  43           HE1      LYS  43  52.788   3.315   0.257
  326   1HZ   LYS  43           HZ3      LYS  43  52.729   0.413   0.127
  327   2HZ   LYS  43           HZ2      LYS  43  51.352   1.141   0.804
  328   3HZ   LYS  43           HZ1      LYS  43  51.848   1.555  -0.767
  329    H    VAL  44           HN       VAL  44  59.271   0.183   0.964
  330    HA   VAL  44           HA       VAL  44  59.735  -2.538   0.055
  331    HB   VAL  44           HB       VAL  44  61.220   0.084   0.114
  332   1HG1  VAL  44          HG11      VAL  44  62.309  -2.582  -0.841
  333   2HG1  VAL  44          HG13      VAL  44  63.050  -1.015  -1.168
  334   3HG1  VAL  44          HG12      VAL  44  62.944  -1.613   0.488
  335   1HG2  VAL  44          HG21      VAL  44  59.389  -0.479  -1.561
  336   2HG2  VAL  44          HG23      VAL  44  60.940  -0.031  -2.270
  337   3HG2  VAL  44          HG22      VAL  44  60.463  -1.727  -2.193
  338    H    MET  45           HN       MET  45  60.599  -0.677   2.899
  339    HA   MET  45           HA       MET  45  62.740  -2.479   3.762
  340   1HB   MET  45           HB2      MET  45  61.287  -0.056   4.735
  341   2HB   MET  45           HB1      MET  45  62.133  -1.031   5.939
  342   1HG   MET  45           HG2      MET  45  63.689  -0.534   3.488
  343   2HG   MET  45           HG1      MET  45  63.316   0.921   4.412
  344   1HE   MET  45           HE1      MET  45  65.774   0.953   4.173
  345   2HE   MET  45           HE3      MET  45  66.871   0.402   5.446
  346   3HE   MET  45           HE2      MET  45  66.499  -0.650   4.082
  347    H    ARG  46           HN       ARG  46  59.403  -1.792   4.883
  348    HA   ARG  46           HA       ARG  46  59.394  -3.972   6.806
  349   1HB   ARG  46           HB2      ARG  46  57.009  -3.336   6.982
  350   2HB   ARG  46           HB1      ARG  46  58.041  -1.905   6.982
  351   1HG   ARG  46           HG2      ARG  46  57.404  -1.276   4.840
  352   2HG   ARG  46           HG1      ARG  46  57.004  -2.927   4.363
  353   1HD   ARG  46           HD2      ARG  46  55.383  -1.707   6.563
  354   2HD   ARG  46           HD1      ARG  46  55.076  -1.155   4.904
  355    HE   ARG  46           HE       ARG  46  55.304  -4.043   5.041
  356   1HH1  ARG  46          HH11      ARG  46  53.349  -2.110   3.535
  357   2HH1  ARG  46          HH12      ARG  46  51.841  -2.660   4.186
  358   1HH2  ARG  46          HH21      ARG  46  53.306  -4.436   6.779
  359   2HH2  ARG  46          HH22      ARG  46  51.817  -3.978   6.024
  360    H    MET  47           HN       MET  47  59.225  -3.934   3.440
  361    HA   MET  47           HA       MET  47  57.220  -5.978   2.984
  362   1HB   MET  47           HB2      MET  47  59.155  -4.351   1.530
  363   2HB   MET  47           HB1      MET  47  59.078  -5.994   0.889
  364   1HG   MET  47           HG2      MET  47  56.441  -4.853   1.508
  365   2HG   MET  47           HG1      MET  47  57.316  -3.970   0.256
  366   1HE   MET  47           HE2      MET  47  57.392  -4.238  -1.655
  367   2HE   MET  47           HE1      MET  47  57.802  -5.697  -2.553
  368   3HE   MET  47           HE3      MET  47  56.120  -5.159  -2.453
  369    H    LEU  48           HN       LEU  48  60.759  -6.012   3.401
  370    HA   LEU  48           HA       LEU  48  60.810  -8.968   3.132
  371   1HB   LEU  48           HB2      LEU  48  62.743  -6.685   3.161
  372   2HB   LEU  48           HB1      LEU  48  63.347  -8.277   3.620
  373    HG   LEU  48           HG       LEU  48  61.641  -8.283   1.218
  374   1HD1  LEU  48          HD12      LEU  48  63.797  -6.347   1.477
  375   2HD1  LEU  48          HD11      LEU  48  64.126  -7.504   0.188
  376   3HD1  LEU  48          HD13      LEU  48  62.638  -6.556   0.163
  377   1HD2  LEU  48          HD21      LEU  48  63.293 -10.052   2.363
  378   2HD2  LEU  48          HD23      LEU  48  63.038 -10.022   0.618
  379   3HD2  LEU  48          HD22      LEU  48  64.466  -9.254   1.314
  380    H    GLY  49           HN       GLY  49  60.479  -6.618   5.585
  381   1HA   GLY  49           HA2      GLY  49  59.949  -7.926   7.796
  382   2HA   GLY  49           HA1      GLY  49  61.635  -8.425   7.652
  383    H    GLN  50           HN       GLN  50  63.135  -6.388   7.185
  384    HA   GLN  50           HA       GLN  50  63.392  -4.817   9.444
  385   1HB   GLN  50           HB2      GLN  50  64.251  -4.783   6.658
  386   2HB   GLN  50           HB1      GLN  50  64.130  -3.150   7.315
  387   1HG   GLN  50           HG2      GLN  50  66.105  -3.482   8.343
  388   2HG   GLN  50           HG1      GLN  50  65.321  -4.705   9.345
  389   1HE2  GLN  50          HE22      GLN  50  67.050  -6.161   5.906
  390   2HE2  GLN  50          HE21      GLN  50  66.115  -4.745   5.828
  391    H    ASN  51           HN       ASN  51  62.277  -3.107  10.326
  392    HA   ASN  51           HA       ASN  51  60.515  -1.450   8.595
  393   1HB   ASN  51           HB2      ASN  51  58.703  -1.842  10.399
  394   2HB   ASN  51           HB1      ASN  51  59.012  -3.165   9.274
  395   1HD2  ASN  51          HD22      ASN  51  59.999  -3.589  13.219
  396   2HD2  ASN  51          HD21      ASN  51  59.528  -2.074  12.616
  397    HA   PRO  52           HA       PRO  52  62.771   0.964  11.786
  398   1HB   PRO  52           HB2      PRO  52  63.351   3.059  10.124
  399   2HB   PRO  52           HB1      PRO  52  64.361   1.604  10.231
  400   1HG   PRO  52           HG2      PRO  52  62.346   2.361   8.179
  401   2HG   PRO  52           HG1      PRO  52  63.900   1.536   7.987
  402   1HD   PRO  52           HD2      PRO  52  61.485   0.254   7.966
  403   2HD   PRO  52           HD1      PRO  52  63.012  -0.519   8.444
  404    H    THR  53           HN       THR  53  62.423   3.684  11.829
  405    HA   THR  53           HA       THR  53  59.461   3.945  12.086
  406    HB   THR  53           HB       THR  53  60.617   6.131  13.284
  407    HG1  THR  53           HG1      THR  53  62.535   5.549  14.108
  408   1HG2  THR  53          HG23      THR  53  59.740   3.432  14.156
  409   2HG2  THR  53          HG22      THR  53  60.680   4.360  15.323
  410   3HG2  THR  53          HG21      THR  53  59.179   5.021  14.676
  411    HA   PRO  54           HA       PRO  54  59.241   6.890   8.839
  412   1HB   PRO  54           HB2      PRO  54  57.358   8.629   9.796
  413   2HB   PRO  54           HB1      PRO  54  56.963   6.995   9.229
  414   1HG   PRO  54           HG2      PRO  54  57.284   8.009  12.007
  415   2HG   PRO  54           HG1      PRO  54  56.130   6.833  11.361
  416   1HD   PRO  54           HD2      PRO  54  58.370   6.145  12.768
  417   2HD   PRO  54           HD1      PRO  54  57.593   5.089  11.568
  418    H    GLU  55           HN       GLU  55  59.564   8.261  12.111
  419    HA   GLU  55           HA       GLU  55  60.450  10.876  11.301
  420   1HB   GLU  55           HB2      GLU  55  59.886   9.404  13.653
  421   2HB   GLU  55           HB1      GLU  55  61.545   9.982  13.823
  422   1HG   GLU  55           HG2      GLU  55  60.669  12.271  13.086
  423   2HG   GLU  55           HG1      GLU  55  59.049  11.618  13.335
  424    H    GLU  56           HN       GLU  56  62.169   7.840  11.998
  425    HA   GLU  56           HA       GLU  56  64.823   9.036  11.760
  426   1HB   GLU  56           HB2      GLU  56  63.583   6.591  12.578
  427   2HB   GLU  56           HB1      GLU  56  64.800   6.200  11.362
  428   1HG   GLU  56           HG2      GLU  56  66.337   7.810  12.711
  429   2HG   GLU  56           HG1      GLU  56  65.164   7.591  14.010
  430    H    LEU  57           HN       LEU  57  62.466   7.734   9.558
  431    HA   LEU  57           HA       LEU  57  64.046   6.786   7.425
  432   1HB   LEU  57           HB2      LEU  57  61.361   7.552   7.974
  433   2HB   LEU  57           HB1      LEU  57  61.823   8.342   6.467
  434    HG   LEU  57           HG       LEU  57  60.871   6.052   6.121
  435   1HD1  LEU  57          HD12      LEU  57  63.743   6.625   5.372
  436   2HD1  LEU  57          HD11      LEU  57  62.874   5.223   4.748
  437   3HD1  LEU  57          HD13      LEU  57  62.297   6.850   4.388
  438   1HD2  LEU  57          HD23      LEU  57  62.384   5.395   8.327
  439   2HD2  LEU  57          HD22      LEU  57  61.682   4.226   7.209
  440   3HD2  LEU  57          HD21      LEU  57  63.357   4.742   7.009
  441    H    GLN  58           HN       GLN  58  62.817  10.131   7.878
  442    HA   GLN  58           HA       GLN  58  64.280  11.249   5.671
  443   1HB   GLN  58           HB2      GLN  58  63.159  12.454   8.222
  444   2HB   GLN  58           HB1      GLN  58  63.659  13.384   6.809
  445   1HG   GLN  58           HG2      GLN  58  61.542  11.214   6.765
  446   2HG   GLN  58           HG1      GLN  58  61.197  12.941   6.861
  447   1HE2  GLN  58          HE22      GLN  58  62.532  13.509   3.482
  448   2HE2  GLN  58          HE21      GLN  58  62.692  14.180   5.033
  449    H    GLU  59           HN       GLU  59  65.137  10.571   9.009
  450    HA   GLU  59           HA       GLU  59  67.361  12.309   9.340
  451   1HB   GLU  59           HB2      GLU  59  66.043  10.381  10.772
  452   2HB   GLU  59           HB1      GLU  59  67.574   9.571  10.435
  453   1HG   GLU  59           HG2      GLU  59  68.617  10.822  11.985
  454   2HG   GLU  59           HG1      GLU  59  68.094  12.301  11.178
  455    H    MET  60           HN       MET  60  67.278   8.941   8.114
  456    HA   MET  60           HA       MET  60  70.104   8.877   7.477
  457   1HB   MET  60           HB2      MET  60  67.654   7.229   6.881
  458   2HB   MET  60           HB1      MET  60  69.191   6.838   6.111
  459   1HG   MET  60           HG2      MET  60  69.985   7.172   8.702
  460   2HG   MET  60           HG1      MET  60  68.363   6.517   8.930
  461   1HE   MET  60           HE3      MET  60  67.480   4.740   8.391
  462   2HE   MET  60           HE2      MET  60  68.039   3.371   7.433
  463   3HE   MET  60           HE1      MET  60  68.449   3.466   9.145
  464    H    ILE  61           HN       ILE  61  67.159   9.201   5.452
  465    HA   ILE  61           HA       ILE  61  68.368   9.435   2.925
  466    HB   ILE  61           HB       ILE  61  65.965  10.838   4.135
  467   1HG1  ILE  61          HG12      ILE  61  66.111   8.375   2.374
  468   2HG1  ILE  61          HG11      ILE  61  66.046   8.302   4.136
  469   1HG2  ILE  61          HG21      ILE  61  67.078  10.753   1.361
  470   2HG2  ILE  61          HG23      ILE  61  65.327  10.670   1.551
  471   3HG2  ILE  61          HG22      ILE  61  66.217  12.055   2.184
  472   1HD1  ILE  61          HD12      ILE  61  63.995   9.860   2.566
  473   2HD1  ILE  61          HD11      ILE  61  63.807   8.129   2.846
  474   3HD1  ILE  61          HD13      ILE  61  63.880   9.241   4.213
  475    H    ASP  62           HN       ASP  62  68.131  11.816   5.522
  476    HA   ASP  62           HA       ASP  62  68.798  14.177   4.085
  477   1HB   ASP  62           HB2      ASP  62  68.650  13.187   6.814
  478   2HB   ASP  62           HB1      ASP  62  69.999  14.307   6.624
  479    H    GLU  63           HN       GLU  63  71.045  12.205   6.071
  480    HA   GLU  63           HA       GLU  63  73.418  13.396   4.946
  481   1HB   GLU  63           HB2      GLU  63  74.504  11.506   6.163
  482   2HB   GLU  63           HB1      GLU  63  73.300  12.328   7.156
  483   1HG   GLU  63           HG2      GLU  63  71.849  10.549   7.116
  484   2HG   GLU  63           HG1      GLU  63  72.335  10.054   5.494
  485    H    VAL  64           HN       VAL  64  71.326  10.808   3.917
  486    HA   VAL  64           HA       VAL  64  73.309   9.564   2.138
  487    HB   VAL  64           HB       VAL  64  70.334   9.267   2.630
  488   1HG1  VAL  64          HG12      VAL  64  71.741   8.543   0.298
  489   2HG1  VAL  64          HG11      VAL  64  71.565   7.053   1.225
  490   3HG1  VAL  64          HG13      VAL  64  70.138   7.991   0.784
  491   1HG2  VAL  64          HG22      VAL  64  72.756   8.200   3.813
  492   2HG2  VAL  64          HG21      VAL  64  71.084   7.996   4.337
  493   3HG2  VAL  64          HG23      VAL  64  71.774   6.897   3.142
  494    H    ASP  65           HN       ASP  65  70.386  11.592   1.774
  495    HA   ASP  65           HA       ASP  65  71.134  12.044  -1.090
  496   1HB   ASP  65           HB2      ASP  65  68.611  11.951   0.518
  497   2HB   ASP  65           HB1      ASP  65  68.642  12.995  -0.903
  498    H    GLU  66           HN       GLU  66  72.496  13.428   1.086
  499    HA   GLU  66           HA       GLU  66  71.633  15.917   1.896
  500   1HB   GLU  66           HB2      GLU  66  73.961  16.498   1.941
  501   2HB   GLU  66           HB1      GLU  66  73.892  14.750   2.162
  502   1HG   GLU  66           HG2      GLU  66  74.320  14.428  -0.251
  503   2HG   GLU  66           HG1      GLU  66  74.405  16.178  -0.464
  504    H    ASP  67           HN       ASP  67  72.540  14.979  -1.395
  505    HA   ASP  67           HA       ASP  67  72.705  17.569  -2.575
  506   1HB   ASP  67           HB2      ASP  67  71.950  14.808  -3.546
  507   2HB   ASP  67           HB1      ASP  67  72.030  16.181  -4.648
  508    H    GLY  68           HN       GLY  68  69.932  15.571  -1.706
  509   1HA   GLY  68           HA2      GLY  68  67.753  16.571  -1.292
  510   2HA   GLY  68           HA1      GLY  68  68.159  17.850  -2.437
  511    H    SER  69           HN       SER  69  68.694  14.415  -3.037
  512    HA   SER  69           HA       SER  69  67.063  14.608  -5.492
  513   1HB   SER  69           HB2      SER  69  68.869  12.533  -4.228
  514   2HB   SER  69           HB1      SER  69  67.997  12.237  -5.730
  515    HG   SER  69           HG       SER  69  69.626  14.518  -5.335
  516    H    GLY  70           HN       GLY  70  66.968  13.000  -2.335
  517   1HA   GLY  70           HA2      GLY  70  65.244  11.816  -1.273
  518   2HA   GLY  70           HA1      GLY  70  64.141  12.706  -2.324
  519    H    THR  71           HN       THR  71  66.700  10.518  -3.419
  520    HA   THR  71           HA       THR  71  64.715   8.413  -4.068
  521    HB   THR  71           HB       THR  71  65.829   8.653  -6.500
  522    HG1  THR  71           HG1      THR  71  66.958  10.416  -6.524
  523   1HG2  THR  71          HG23      THR  71  63.366   8.964  -5.549
  524   2HG2  THR  71          HG22      THR  71  63.708  10.664  -5.871
  525   3HG2  THR  71          HG21      THR  71  63.783   9.485  -7.181
  526    H    VAL  72           HN       VAL  72  65.705   6.447  -3.824
  527    HA   VAL  72           HA       VAL  72  68.700   6.380  -3.822
  528    HB   VAL  72           HB       VAL  72  68.127   4.219  -2.437
  529   1HG1  VAL  72          HG12      VAL  72  67.786   7.069  -1.501
  530   2HG1  VAL  72          HG11      VAL  72  67.870   5.702  -0.388
  531   3HG1  VAL  72          HG13      VAL  72  69.244   6.073  -1.432
  532   1HG2  VAL  72          HG21      VAL  72  65.659   4.422  -3.017
  533   2HG2  VAL  72          HG23      VAL  72  66.010   4.267  -1.295
  534   3HG2  VAL  72          HG22      VAL  72  65.611   5.845  -1.975
  535    H    ASP  73           HN       ASP  73  69.745   4.730  -4.950
  536    HA   ASP  73           HA       ASP  73  68.043   3.167  -6.857
  537   1HB   ASP  73           HB2      ASP  73  70.273   3.091  -8.118
  538   2HB   ASP  73           HB1      ASP  73  69.541   4.689  -7.966
  539    H    PHE  74           HN       PHE  74  69.600   1.098  -7.541
  540    HA   PHE  74           HA       PHE  74  69.575  -0.653  -5.284
  541   1HB   PHE  74           HB2      PHE  74  69.683  -0.944  -7.951
  542   2HB   PHE  74           HB1      PHE  74  71.399  -1.153  -7.599
  543    HD1  PHE  74           HD1      PHE  74  72.127  -2.922  -5.961
  544    HD2  PHE  74           HD2      PHE  74  68.086  -2.630  -7.391
  545    HE1  PHE  74           HE1      PHE  74  71.687  -5.238  -5.192
  546    HE2  PHE  74           HE2      PHE  74  67.647  -4.946  -6.622
  547    HZ   PHE  74           HZ       PHE  74  69.448  -6.251  -5.524
  548    H    ASP  75           HN       ASP  75  71.862   1.718  -6.276
  549    HA   ASP  75           HA       ASP  75  74.153   0.459  -4.907
  550   1HB   ASP  75           HB2      ASP  75  73.766   2.271  -6.979
  551   2HB   ASP  75           HB1      ASP  75  74.327   3.291  -5.653
  552    H    GLU  76           HN       GLU  76  72.011   3.293  -4.444
  553    HA   GLU  76           HA       GLU  76  73.228   3.989  -1.876
  554   1HB   GLU  76           HB2      GLU  76  70.605   4.860  -3.128
  555   2HB   GLU  76           HB1      GLU  76  71.537   5.731  -1.909
  556   1HG   GLU  76           HG2      GLU  76  72.596   5.060  -4.668
  557   2HG   GLU  76           HG1      GLU  76  71.848   6.603  -4.256
  558    H    PHE  77           HN       PHE  77  70.087   2.614  -2.918
  559    HA   PHE  77           HA       PHE  77  68.913   2.228  -0.382
  560   1HB   PHE  77           HB2      PHE  77  67.615   1.882  -2.334
  561   2HB   PHE  77           HB1      PHE  77  68.807   0.789  -3.035
  562    HD1  PHE  77           HD2      PHE  77  66.804   1.057   0.136
  563    HD2  PHE  77           HD1      PHE  77  68.256  -1.466  -3.023
  564    HE1  PHE  77           HE2      PHE  77  65.619  -0.879   1.137
  565    HE2  PHE  77           HE1      PHE  77  67.073  -3.401  -2.023
  566    HZ   PHE  77           HZ       PHE  77  65.754  -3.108   0.057
  567    H    LEU  78           HN       LEU  78  71.131   0.093  -2.192
  568    HA   LEU  78           HA       LEU  78  71.148  -2.136  -0.456
  569   1HB   LEU  78           HB2      LEU  78  72.873  -0.884  -2.502
  570   2HB   LEU  78           HB1      LEU  78  73.729  -1.939  -1.378
  571    HG   LEU  78           HG       LEU  78  72.816  -3.105  -3.432
  572   1HD1  LEU  78          HD12      LEU  78  73.135  -4.034  -0.941
  573   2HD1  LEU  78          HD11      LEU  78  71.389  -4.252  -1.073
  574   3HD1  LEU  78          HD13      LEU  78  72.466  -5.040  -2.226
  575   1HD2  LEU  78          HD22      LEU  78  70.662  -1.684  -3.322
  576   2HD2  LEU  78          HD21      LEU  78  70.474  -3.397  -3.693
  577   3HD2  LEU  78          HD23      LEU  78  70.137  -2.806  -2.067
  578    H    VAL  79           HN       VAL  79  73.312   0.724  -0.404
  579    HA   VAL  79           HA       VAL  79  74.841   0.057   1.873
  580    HB   VAL  79           HB       VAL  79  73.829   2.718   0.820
  581   1HG1  VAL  79          HG11      VAL  79  75.462   2.034   3.149
  582   2HG1  VAL  79          HG13      VAL  79  76.301   3.113   2.033
  583   3HG1  VAL  79          HG12      VAL  79  74.738   3.580   2.704
  584   1HG2  VAL  79          HG22      VAL  79  75.136   1.368  -0.788
  585   2HG2  VAL  79          HG21      VAL  79  76.042   2.791  -0.277
  586   3HG2  VAL  79          HG23      VAL  79  76.430   1.208   0.399
  587    H    MET  80           HN       MET  80  72.063   2.332   1.868
  588    HA   MET  80           HA       MET  80  71.705   2.572   4.633
  589   1HB   MET  80           HB2      MET  80  69.980   2.691   2.192
  590   2HB   MET  80           HB1      MET  80  69.174   2.715   3.761
  591   1HG   MET  80           HG2      MET  80  71.226   4.493   4.166
  592   2HG   MET  80           HG1      MET  80  70.829   4.783   2.472
  593   1HE   MET  80           HE3      MET  80  68.451   6.909   2.202
  594   2HE   MET  80           HE2      MET  80  69.153   5.441   1.526
  595   3HE   MET  80           HE1      MET  80  67.474   5.440   2.062
  596    H    MET  81           HN       MET  81  70.849  -0.113   2.526
  597    HA   MET  81           HA       MET  81  69.151  -1.460   4.487
  598   1HB   MET  81           HB2      MET  81  69.939  -1.665   1.722
  599   2HB   MET  81           HB1      MET  81  70.128  -3.238   2.500
  600   1HG   MET  81           HG2      MET  81  67.626  -1.524   2.526
  601   2HG   MET  81           HG1      MET  81  67.854  -3.019   1.618
  602   1HE   MET  81           HE1      MET  81  68.931  -5.085   2.834
  603   2HE   MET  81           HE3      MET  81  69.829  -4.307   4.144
  604   3HE   MET  81           HE2      MET  81  68.625  -5.539   4.509
  605    H    VAL  82           HN       VAL  82  72.458  -2.002   3.211
  606    HA   VAL  82           HA       VAL  82  73.051  -4.248   4.899
  607    HB   VAL  82           HB       VAL  82  74.174  -3.366   2.747
  608   1HG1  VAL  82          HG12      VAL  82  74.646  -1.159   4.398
  609   2HG1  VAL  82          HG11      VAL  82  76.210  -1.965   4.288
  610   3HG1  VAL  82          HG13      VAL  82  75.374  -1.458   2.820
  611   1HG2  VAL  82          HG23      VAL  82  75.095  -4.955   4.859
  612   2HG2  VAL  82          HG22      VAL  82  75.774  -4.882   3.233
  613   3HG2  VAL  82          HG21      VAL  82  76.435  -3.864   4.513
  614    H    ARG  83           HN       ARG  83  72.683  -0.943   5.641
  615    HA   ARG  83           HA       ARG  83  74.574  -0.975   7.923
  616   1HB   ARG  83           HB2      ARG  83  73.940   0.941   6.212
  617   2HB   ARG  83           HB1      ARG  83  72.589   1.196   7.316
  618   1HG   ARG  83           HG2      ARG  83  74.619   0.997   9.101
  619   2HG   ARG  83           HG1      ARG  83  75.484   1.690   7.729
  620   1HD   ARG  83           HD2      ARG  83  74.046   3.602   7.657
  621   2HD   ARG  83           HD1      ARG  83  72.872   2.844   8.752
  622    HE   ARG  83           HE       ARG  83  75.199   2.801  10.224
  623   1HH1  ARG  83          HH11      ARG  83  76.518   5.040   9.284
  624   2HH1  ARG  83          HH12      ARG  83  75.702   6.416   9.947
  625   1HH2  ARG  83          HH21      ARG  83  72.822   4.657  10.742
  626   2HH2  ARG  83          HH22      ARG  83  73.610   6.198  10.773
  627    H    CYS  84           HN       CYS  84  71.176  -1.421   7.254
  628    HA   CYS  84           HA       CYS  84  70.281  -0.946  10.003
  629   1HB   CYS  84           HB2      CYS  84  69.175  -1.091   7.447
  630   2HB   CYS  84           HB1      CYS  84  68.562  -2.537   8.249
  631    HG   CYS  84           HG       CYS  84  67.783   0.338   8.934
  632    H    MET  85           HN       MET  85  72.026  -3.418   8.580
  633    HA   MET  85           HA       MET  85  70.864  -5.837   9.416
  634   1HB   MET  85           HB2      MET  85  73.716  -4.831   9.273
  635   2HB   MET  85           HB1      MET  85  73.334  -6.517   9.625
  636   1HG   MET  85           HG2      MET  85  71.764  -6.140   7.454
  637   2HG   MET  85           HG1      MET  85  73.062  -5.005   7.083
  638   1HE   MET  85           HE1      MET  85  71.987  -7.263   5.646
  639   2HE   MET  85           HE3      MET  85  73.280  -8.326   5.073
  640   3HE   MET  85           HE2      MET  85  72.223  -8.845   6.384
  641    H    LYS  86           HN       LYS  86  70.358  -6.617  11.425
  642    HA   LYS  86           HA       LYS  86  72.001  -5.893  13.773
  643   1HB   LYS  86           HB2      LYS  86  70.174  -4.831  14.941
  644   2HB   LYS  86           HB1      LYS  86  70.277  -4.071  13.352
  645   1HG   LYS  86           HG2      LYS  86  68.156  -4.676  12.920
  646   2HG   LYS  86           HG1      LYS  86  68.598  -6.372  13.118
  647   1HD   LYS  86           HD2      LYS  86  68.290  -6.154  15.569
  648   2HD   LYS  86           HD1      LYS  86  67.798  -4.475  15.345
  649   1HE   LYS  86           HE2      LYS  86  66.294  -6.240  13.581
  650   2HE   LYS  86           HE1      LYS  86  66.096  -6.697  15.284
  651   1HZ   LYS  86           HZ2      LYS  86  65.761  -4.306  15.780
  652   2HZ   LYS  86           HZ1      LYS  86  65.747  -3.990  14.111
  653   3HZ   LYS  86           HZ3      LYS  86  64.540  -4.963  14.797
  654    H    ASP  87           HN       ASP  87  71.720  -8.417  12.644
  655    HA   ASP  87           HA       ASP  87  69.539  -9.914  13.890
  656   1HB   ASP  87           HB2      ASP  87  71.700 -10.271  11.970
  657   2HB   ASP  87           HB1      ASP  87  71.577 -11.654  13.059
  658    H    ASP  88           HN       ASP  88  70.294 -11.969  15.205
  659    HA   ASP  88           HA       ASP  88  71.319 -12.840  17.153
  660   1HB   ASP  88           HB2      ASP  88  73.278 -11.462  15.620
  661   2HB   ASP  88           HB1      ASP  88  73.558 -11.036  17.309
  662    H    SER  89           HN       SER  89  72.227  -9.375  17.231
  663    HA   SER  89           HA       SER  89  70.935  -9.188  19.923
  664   1HB   SER  89           HB2      SER  89  73.437  -8.694  19.379
  665   2HB   SER  89           HB1      SER  89  72.828  -7.204  18.663
  666    HG   SER  89           HG       SER  89  72.106  -6.554  20.612
   
  No H/Q in entry =         666
  Start of MODEL   12
    1   1H    MET   1           HT2      MET   1  92.249   6.549  -2.811
    2   2H    MET   1           HT1      MET   1  93.023   7.659  -1.784
    3   3H    MET   1           HT3      MET   1  93.375   6.003  -1.661
    4    HA   MET   1           HA       MET   1  91.931   6.514   0.145
    5   1HB   MET   1           HB2      MET   1  89.896   7.796  -0.260
    6   2HB   MET   1           HB1      MET   1  91.259   8.665  -0.966
    7   1HG   MET   1           HG2      MET   1  90.164   8.653  -2.932
    8   2HG   MET   1           HG1      MET   1  90.372   6.902  -2.974
    9   1HE   MET   1           HE1      MET   1  88.458   8.629  -4.294
   10   2HE   MET   1           HE3      MET   1  87.594   7.096  -4.475
   11   3HE   MET   1           HE2      MET   1  86.761   8.510  -3.836
   12    H    ASP   2           HN       ASP   2  89.235   5.842   0.024
   13    HA   ASP   2           HA       ASP   2  88.483   3.841  -1.856
   14   1HB   ASP   2           HB2      ASP   2  90.546   3.126   0.046
   15   2HB   ASP   2           HB1      ASP   2  89.122   2.112   0.284
   16    H    ASP   3           HN       ASP   3  86.315   3.521  -1.492
   17    HA   ASP   3           HA       ASP   3  85.071   4.557   0.944
   18   1HB   ASP   3           HB2      ASP   3  84.243   4.624  -1.493
   19   2HB   ASP   3           HB1      ASP   3  83.807   2.929  -1.273
   20    H    ILE   4           HN       ILE   4  83.695   3.230   2.352
   21    HA   ILE   4           HA       ILE   4  84.746   0.447   2.651
   22    HB   ILE   4           HB       ILE   4  84.155   0.720   4.964
   23   1HG1  ILE   4          HG12      ILE   4  82.647   3.193   4.051
   24   2HG1  ILE   4          HG11      ILE   4  81.926   1.693   4.633
   25   1HG2  ILE   4          HG22      ILE   4  85.775   2.623   3.578
   26   2HG2  ILE   4          HG21      ILE   4  84.934   3.470   4.877
   27   3HG2  ILE   4          HG23      ILE   4  85.935   2.066   5.244
   28   1HD1  ILE   4          HD13      ILE   4  83.824   2.510   6.583
   29   2HD1  ILE   4          HD12      ILE   4  82.868   3.931   6.166
   30   3HD1  ILE   4          HD11      ILE   4  82.068   2.468   6.739
   31    H    TYR   5           HN       TYR   5  81.711   2.325   2.590
   32    HA   TYR   5           HA       TYR   5  79.867   0.219   3.012
   33   1HB   TYR   5           HB2      TYR   5  79.719   2.694   1.257
   34   2HB   TYR   5           HB1      TYR   5  78.322   1.756   1.789
   35    HD1  TYR   5           HD2      TYR   5  77.675   1.690   4.169
   36    HD2  TYR   5           HD1      TYR   5  80.936   4.124   2.792
   37    HE1  TYR   5           HE2      TYR   5  77.640   2.945   6.307
   38    HE2  TYR   5           HE1      TYR   5  80.901   5.379   4.932
   39    HH   TYR   5           HH       TYR   5  79.520   5.844   6.767
   40    H    LYS   6           HN       LYS   6  81.836   0.960   0.222
   41    HA   LYS   6           HA       LYS   6  80.343  -0.317  -1.839
   42   1HB   LYS   6           HB2      LYS   6  82.610   1.099  -1.689
   43   2HB   LYS   6           HB1      LYS   6  83.325  -0.512  -1.733
   44   1HG   LYS   6           HG2      LYS   6  82.611  -0.926  -3.880
   45   2HG   LYS   6           HG1      LYS   6  81.161   0.064  -3.701
   46   1HD   LYS   6           HD2      LYS   6  82.628   2.103  -3.710
   47   2HD   LYS   6           HD1      LYS   6  84.001   1.057  -4.075
   48   1HE   LYS   6           HE2      LYS   6  81.708   0.573  -5.848
   49   2HE   LYS   6           HE1      LYS   6  82.362   2.217  -5.980
   50   1HZ   LYS   6           HZ1      LYS   6  84.307   0.071  -5.721
   51   2HZ   LYS   6           HZ3      LYS   6  83.469   0.126  -7.194
   52   3HZ   LYS   6           HZ2      LYS   6  84.363   1.475  -6.675
   53    H    ALA   7           HN       ALA   7  82.176  -1.643   0.821
   54    HA   ALA   7           HA       ALA   7  82.558  -4.290  -0.347
   55   1HB   ALA   7           HB2      ALA   7  83.946  -3.164   1.446
   56   2HB   ALA   7           HB1      ALA   7  82.594  -3.401   2.554
   57   3HB   ALA   7           HB3      ALA   7  83.422  -4.796   1.860
   58    H    ALA   8           HN       ALA   8  80.001  -2.664   1.382
   59    HA   ALA   8           HA       ALA   8  78.648  -4.919   2.509
   60   1HB   ALA   8           HB2      ALA   8  78.376  -2.165   2.385
   61   2HB   ALA   8           HB1      ALA   8  76.970  -2.737   1.487
   62   3HB   ALA   8           HB3      ALA   8  77.228  -3.264   3.150
   63    H    VAL   9           HN       VAL   9  77.949  -3.159  -0.541
   64    HA   VAL   9           HA       VAL   9  75.944  -4.845  -1.560
   65    HB   VAL   9           HB       VAL   9  78.159  -3.238  -2.853
   66   1HG1  VAL   9          HG11      VAL   9  76.490  -5.200  -4.079
   67   2HG1  VAL   9          HG13      VAL   9  75.915  -3.615  -4.592
   68   3HG1  VAL   9          HG12      VAL   9  77.596  -4.074  -4.864
   69   1HG2  VAL   9          HG22      VAL   9  76.224  -2.225  -1.433
   70   2HG2  VAL   9          HG21      VAL   9  76.549  -1.524  -3.018
   71   3HG2  VAL   9          HG23      VAL   9  75.203  -2.644  -2.809
   72    H    GLU  10           HN       GLU  10  79.478  -5.226  -1.723
   73    HA   GLU  10           HA       GLU  10  79.461  -7.509  -3.493
   74   1HB   GLU  10           HB2      GLU  10  81.381  -6.217  -1.563
   75   2HB   GLU  10           HB1      GLU  10  81.810  -7.728  -2.364
   76   1HG   GLU  10           HG2      GLU  10  80.772  -5.395  -3.961
   77   2HG   GLU  10           HG1      GLU  10  82.476  -5.490  -3.516
   78    H    GLN  11           HN       GLN  11  78.707  -7.130  -0.146
   79    HA   GLN  11           HA       GLN  11  79.435  -9.818   0.715
   80   1HB   GLN  11           HB2      GLN  11  78.508  -7.345   1.802
   81   2HB   GLN  11           HB1      GLN  11  77.385  -8.605   2.314
   82   1HG   GLN  11           HG2      GLN  11  79.380  -9.980   3.022
   83   2HG   GLN  11           HG1      GLN  11  80.389  -8.570   2.699
   84   1HE2  GLN  11          HE22      GLN  11  77.581  -7.998   5.648
   85   2HE2  GLN  11          HE21      GLN  11  77.118  -8.742   4.195
   86    H    LEU  12           HN       LEU  12  76.524  -8.262  -0.569
   87    HA   LEU  12           HA       LEU  12  74.702 -10.428   0.010
   88   1HB   LEU  12           HB2      LEU  12  74.659  -8.256  -2.114
   89   2HB   LEU  12           HB1      LEU  12  73.262  -9.181  -1.560
   90    HG   LEU  12           HG       LEU  12  74.981  -7.447   0.237
   91   1HD1  LEU  12          HD11      LEU  12  73.099  -6.636  -1.685
   92   2HD1  LEU  12          HD13      LEU  12  72.236  -6.587  -0.148
   93   3HD1  LEU  12          HD12      LEU  12  73.728  -5.668  -0.351
   94   1HD2  LEU  12          HD22      LEU  12  72.669  -9.283   0.614
   95   2HD2  LEU  12          HD21      LEU  12  73.967  -8.865   1.733
   96   3HD2  LEU  12          HD23      LEU  12  72.611  -7.760   1.502
   97    H    THR  13           HN       THR  13  74.277 -12.270  -1.192
   98    HA   THR  13           HA       THR  13  76.093 -12.893  -3.442
   99    HB   THR  13           HB       THR  13  74.346 -15.021  -3.014
  100    HG1  THR  13           HG1      THR  13  74.621 -14.990  -0.570
  101   1HG2  THR  13          HG21      THR  13  77.061 -14.254  -1.995
  102   2HG2  THR  13          HG23      THR  13  76.312 -15.747  -1.430
  103   3HG2  THR  13          HG22      THR  13  76.620 -15.511  -3.150
  104    H    GLU  14           HN       GLU  14  75.103 -13.931  -5.425
  105    HA   GLU  14           HA       GLU  14  73.373 -12.287  -6.854
  106   1HB   GLU  14           HB2      GLU  14  74.763 -14.225  -7.663
  107   2HB   GLU  14           HB1      GLU  14  73.531 -15.313  -7.025
  108   1HG   GLU  14           HG2      GLU  14  72.285 -15.035  -8.875
  109   2HG   GLU  14           HG1      GLU  14  72.251 -13.291  -8.614
  110    H    GLU  15           HN       GLU  15  72.346 -15.371  -5.322
  111    HA   GLU  15           HA       GLU  15  69.562 -15.053  -5.674
  112   1HB   GLU  15           HB2      GLU  15  71.255 -16.384  -3.542
  113   2HB   GLU  15           HB1      GLU  15  69.506 -16.595  -3.638
  114   1HG   GLU  15           HG2      GLU  15  70.211 -17.079  -6.224
  115   2HG   GLU  15           HG1      GLU  15  71.636 -17.684  -5.378
  116    H    GLN  16           HN       GLN  16  71.670 -13.880  -3.052
  117    HA   GLN  16           HA       GLN  16  69.533 -12.799  -1.428
  118   1HB   GLN  16           HB2      GLN  16  72.353 -13.169  -1.370
  119   2HB   GLN  16           HB1      GLN  16  72.058 -11.452  -1.095
  120   1HG   GLN  16           HG2      GLN  16  70.169 -12.404   0.526
  121   2HG   GLN  16           HG1      GLN  16  71.241 -13.805   0.558
  122   1HE2  GLN  16          HE22      GLN  16  73.978 -11.865   2.018
  123   2HE2  GLN  16          HE21      GLN  16  73.728 -13.018   0.798
  124    H    LYS  17           HN       LYS  17  71.746 -11.395  -3.852
  125    HA   LYS  17           HA       LYS  17  70.704  -8.695  -3.583
  126   1HB   LYS  17           HB2      LYS  17  72.766 -10.165  -4.973
  127   2HB   LYS  17           HB1      LYS  17  71.936  -9.094  -6.103
  128   1HG   LYS  17           HG2      LYS  17  72.291  -7.192  -4.582
  129   2HG   LYS  17           HG1      LYS  17  73.097  -8.256  -3.429
  130   1HD   LYS  17           HD2      LYS  17  74.051  -7.971  -6.281
  131   2HD   LYS  17           HD1      LYS  17  74.620  -6.909  -4.993
  132   1HE   LYS  17           HE2      LYS  17  75.719  -8.649  -3.864
  133   2HE   LYS  17           HE1      LYS  17  74.717  -9.902  -4.625
  134   1HZ   LYS  17           HZ1      LYS  17  76.156  -8.210  -6.477
  135   2HZ   LYS  17           HZ3      LYS  17  77.155  -9.176  -5.506
  136   3HZ   LYS  17           HZ2      LYS  17  75.961  -9.897  -6.476
  137    H    ASN  18           HN       ASN  18  70.148 -11.380  -5.873
  138    HA   ASN  18           HA       ASN  18  68.460 -10.024  -7.711
  139   1HB   ASN  18           HB2      ASN  18  69.262 -12.165  -8.289
  140   2HB   ASN  18           HB1      ASN  18  68.798 -12.857  -6.736
  141   1HD2  ASN  18          HD22      ASN  18  65.704 -13.942  -7.980
  142   2HD2  ASN  18          HD21      ASN  18  66.962 -14.139  -6.859
  143    H    GLU  19           HN       GLU  19  67.807 -11.390  -4.521
  144    HA   GLU  19           HA       GLU  19  64.967 -11.474  -4.585
  145   1HB   GLU  19           HB2      GLU  19  67.113 -11.741  -2.746
  146   2HB   GLU  19           HB1      GLU  19  65.995 -10.572  -2.043
  147   1HG   GLU  19           HG2      GLU  19  64.127 -12.209  -2.563
  148   2HG   GLU  19           HG1      GLU  19  65.375 -13.389  -2.961
  149    H    PHE  20           HN       PHE  20  67.186  -8.794  -3.782
  150    HA   PHE  20           HA       PHE  20  65.113  -6.891  -3.126
  151   1HB   PHE  20           HB2      PHE  20  68.028  -7.022  -3.527
  152   2HB   PHE  20           HB1      PHE  20  67.327  -5.459  -3.945
  153    HD1  PHE  20           HD2      PHE  20  65.032  -5.347  -2.058
  154    HD2  PHE  20           HD1      PHE  20  69.089  -6.623  -1.448
  155    HE1  PHE  20           HE2      PHE  20  64.848  -4.783   0.350
  156    HE2  PHE  20           HE1      PHE  20  68.903  -6.058   0.960
  157    HZ   PHE  20           HZ       PHE  20  66.783  -5.138   1.859
  158    H    LYS  21           HN       LYS  21  66.924  -7.631  -6.102
  159    HA   LYS  21           HA       LYS  21  66.077  -5.521  -7.759
  160   1HB   LYS  21           HB2      LYS  21  67.699  -7.518  -8.110
  161   2HB   LYS  21           HB1      LYS  21  66.270  -8.399  -8.652
  162   1HG   LYS  21           HG2      LYS  21  65.872  -6.825 -10.425
  163   2HG   LYS  21           HG1      LYS  21  67.092  -5.718  -9.795
  164   1HD   LYS  21           HD2      LYS  21  68.833  -7.452 -10.203
  165   2HD   LYS  21           HD1      LYS  21  67.599  -8.489 -10.920
  166   1HE   LYS  21           HE2      LYS  21  67.477  -5.844 -12.103
  167   2HE   LYS  21           HE1      LYS  21  69.110  -6.525 -12.260
  168   1HZ   LYS  21           HZ3      LYS  21  66.622  -8.037 -12.844
  169   2HZ   LYS  21           HZ2      LYS  21  67.545  -7.252 -14.035
  170   3HZ   LYS  21           HZ1      LYS  21  68.216  -8.534 -13.144
  171    H    ALA  22           HN       ALA  22  64.422  -8.613  -7.068
  172    HA   ALA  22           HA       ALA  22  62.171  -8.102  -8.813
  173   1HB   ALA  22           HB1      ALA  22  63.219 -10.244  -7.556
  174   2HB   ALA  22           HB3      ALA  22  61.936  -9.851  -6.412
  175   3HB   ALA  22           HB2      ALA  22  61.542 -10.200  -8.096
  176    H    ALA  23           HN       ALA  23  62.990  -7.097  -5.577
  177    HA   ALA  23           HA       ALA  23  60.171  -6.247  -5.059
  178   1HB   ALA  23           HB1      ALA  23  62.616  -6.869  -3.439
  179   2HB   ALA  23           HB3      ALA  23  61.412  -5.777  -2.755
  180   3HB   ALA  23           HB2      ALA  23  60.957  -7.419  -3.208
  181    H    PHE  24           HN       PHE  24  63.156  -5.033  -6.158
  182    HA   PHE  24           HA       PHE  24  62.655  -2.284  -5.133
  183   1HB   PHE  24           HB2      PHE  24  64.900  -3.119  -4.917
  184   2HB   PHE  24           HB1      PHE  24  64.919  -3.669  -6.592
  185    HD1  PHE  24           HD2      PHE  24  64.992  -2.029  -8.456
  186    HD2  PHE  24           HD1      PHE  24  65.278  -0.806  -4.348
  187    HE1  PHE  24           HE2      PHE  24  65.853   0.184  -9.174
  188    HE2  PHE  24           HE1      PHE  24  66.138   1.406  -5.066
  189    HZ   PHE  24           HZ       PHE  24  66.426   1.901  -7.479
  190    H    ASP  25           HN       ASP  25  62.904  -4.096  -8.193
  191    HA   ASP  25           HA       ASP  25  62.616  -1.858  -9.961
  192   1HB   ASP  25           HB2      ASP  25  62.306  -4.828 -10.036
  193   2HB   ASP  25           HB1      ASP  25  61.619  -3.911 -11.376
  194    H    ILE  26           HN       ILE  26  60.347  -3.469  -7.908
  195    HA   ILE  26           HA       ILE  26  57.962  -2.729  -9.453
  196    HB   ILE  26           HB       ILE  26  58.378  -3.756  -6.629
  197   1HG1  ILE  26          HG12      ILE  26  57.930  -5.101  -9.304
  198   2HG1  ILE  26          HG11      ILE  26  59.257  -5.361  -8.172
  199   1HG2  ILE  26          HG23      ILE  26  56.050  -2.765  -7.957
  200   2HG2  ILE  26          HG22      ILE  26  55.881  -4.513  -7.814
  201   3HG2  ILE  26          HG21      ILE  26  56.151  -3.533  -6.373
  202   1HD1  ILE  26          HD13      ILE  26  56.354  -5.996  -7.591
  203   2HD1  ILE  26          HD12      ILE  26  57.556  -7.184  -8.091
  204   3HD1  ILE  26          HD11      ILE  26  57.731  -6.348  -6.548
  205    H    PHE  27           HN       PHE  27  60.079  -0.792  -7.979
  206    HA   PHE  27           HA       PHE  27  57.969   1.145  -7.153
  207   1HB   PHE  27           HB2      PHE  27  60.350   0.254  -5.493
  208   2HB   PHE  27           HB1      PHE  27  59.253   1.564  -5.056
  209    HD1  PHE  27           HD1      PHE  27  56.730   1.001  -4.904
  210    HD2  PHE  27           HD2      PHE  27  59.833  -1.968  -4.919
  211    HE1  PHE  27           HE1      PHE  27  55.160  -0.645  -3.914
  212    HE2  PHE  27           HE2      PHE  27  58.264  -3.614  -3.929
  213    HZ   PHE  27           HZ       PHE  27  55.927  -2.952  -3.427
  214    H    VAL  28           HN       VAL  28  60.033   0.826  -9.387
  215    HA   VAL  28           HA       VAL  28  61.788   3.178  -8.858
  216    HB   VAL  28           HB       VAL  28  61.701   1.238 -11.188
  217   1HG1  VAL  28          HG13      VAL  28  62.985   3.600 -11.088
  218   2HG1  VAL  28          HG12      VAL  28  64.180   2.604 -10.258
  219   3HG1  VAL  28          HG11      VAL  28  63.671   2.191 -11.895
  220   1HG2  VAL  28          HG21      VAL  28  63.254   1.139  -8.584
  221   2HG2  VAL  28          HG23      VAL  28  62.052  -0.025  -9.140
  222   3HG2  VAL  28          HG22      VAL  28  63.597   0.116  -9.979
  223    H    LEU  29           HN       LEU  29  58.801   3.281  -9.462
  224    HA   LEU  29           HA       LEU  29  58.223   4.102 -12.088
  225   1HB   LEU  29           HB2      LEU  29  56.376   5.339 -10.994
  226   2HB   LEU  29           HB1      LEU  29  56.601   3.756 -10.249
  227    HG   LEU  29           HG       LEU  29  58.337   5.536  -8.891
  228   1HD1  LEU  29          HD12      LEU  29  56.003   6.885  -9.922
  229   2HD1  LEU  29          HD11      LEU  29  55.918   6.805  -8.162
  230   3HD1  LEU  29          HD13      LEU  29  57.317   7.542  -8.945
  231   1HD2  LEU  29          HD21      LEU  29  57.112   3.513  -8.029
  232   2HD2  LEU  29          HD23      LEU  29  56.980   4.919  -6.973
  233   3HD2  LEU  29          HD22      LEU  29  55.633   4.474  -8.019
  234    H    GLY  30           HN       GLY  30  59.843   5.396 -13.051
  235   1HA   GLY  30           HA2      GLY  30  60.624   7.548 -13.685
  236   2HA   GLY  30           HA1      GLY  30  59.824   8.225 -12.266
  237    H    ALA  31           HN       ALA  31  61.781   9.422 -11.771
  238    HA   ALA  31           HA       ALA  31  63.797   9.709 -10.569
  239   1HB   ALA  31           HB2      ALA  31  62.285   7.854  -9.296
  240   2HB   ALA  31           HB1      ALA  31  63.710   6.879  -9.656
  241   3HB   ALA  31           HB3      ALA  31  63.871   8.358  -8.710
  242    H    GLU  32           HN       GLU  32  64.850   9.680 -12.776
  243    HA   GLU  32           HA       GLU  32  66.459   8.857 -14.308
  244   1HB   GLU  32           HB2      GLU  32  67.398   8.945 -11.771
  245   2HB   GLU  32           HB1      GLU  32  67.622   7.227 -12.106
  246   1HG   GLU  32           HG2      GLU  32  69.457   7.701 -13.315
  247   2HG   GLU  32           HG1      GLU  32  68.479   8.681 -14.408
  248    H    ASP  33           HN       ASP  33  63.982   7.156 -13.755
  249    HA   ASP  33           HA       ASP  33  63.205   4.967 -14.234
  250   1HB   ASP  33           HB2      ASP  33  64.001   5.909 -16.404
  251   2HB   ASP  33           HB1      ASP  33  65.584   5.192 -16.106
  252    H    GLY  34           HN       GLY  34  64.936   5.003 -11.962
  253   1HA   GLY  34           HA2      GLY  34  65.585   2.280 -11.652
  254   2HA   GLY  34           HA1      GLY  34  67.068   3.090 -12.161
  255    H    CYS  35           HN       CYS  35  64.540   4.544 -10.169
  256    HA   CYS  35           HA       CYS  35  66.195   4.254  -7.720
  257   1HB   CYS  35           HB2      CYS  35  65.500   6.881  -9.076
  258   2HB   CYS  35           HB1      CYS  35  66.198   6.753  -7.461
  259    HG   CYS  35           HG       CYS  35  67.977   6.984  -9.603
  260    H    ILE  36           HN       ILE  36  64.970   4.887  -5.782
  261    HA   ILE  36           HA       ILE  36  62.011   5.002  -6.277
  262    HB   ILE  36           HB       ILE  36  61.820   3.725  -4.198
  263   1HG1  ILE  36          HG12      ILE  36  64.846   3.971  -4.109
  264   2HG1  ILE  36          HG11      ILE  36  63.713   4.743  -2.998
  265   1HG2  ILE  36          HG23      ILE  36  63.818   2.713  -6.226
  266   2HG2  ILE  36          HG22      ILE  36  63.247   1.703  -4.898
  267   3HG2  ILE  36          HG21      ILE  36  62.104   2.320  -6.091
  268   1HD1  ILE  36          HD11      ILE  36  64.020   1.751  -3.384
  269   2HD1  ILE  36          HD13      ILE  36  64.657   2.673  -2.022
  270   3HD1  ILE  36          HD12      ILE  36  62.914   2.537  -2.258
  271    H    SER  37           HN       SER  37  60.783   6.197  -4.603
  272    HA   SER  37           HA       SER  37  62.059   8.730  -3.918
  273   1HB   SER  37           HB2      SER  37  59.467   7.656  -4.304
  274   2HB   SER  37           HB1      SER  37  59.508   8.248  -2.646
  275    HG   SER  37           HG       SER  37  58.930   9.876  -4.167
  276    H    THR  38           HN       THR  38  62.280   9.546  -1.720
  277    HA   THR  38           HA       THR  38  63.504   7.828   0.150
  278    HB   THR  38           HB       THR  38  62.873   9.772   1.734
  279    HG1  THR  38           HG1      THR  38  61.040  10.499   0.746
  280   1HG2  THR  38          HG21      THR  38  64.809   9.502  -0.182
  281   2HG2  THR  38          HG23      THR  38  64.051  11.020  -0.663
  282   3HG2  THR  38          HG22      THR  38  64.719  10.843   0.960
  283    H    LYS  39           HN       LYS  39  60.085   8.736  -0.188
  284    HA   LYS  39           HA       LYS  39  59.294   7.316   2.260
  285   1HB   LYS  39           HB2      LYS  39  57.558   8.360   0.011
  286   2HB   LYS  39           HB1      LYS  39  57.128   8.175   1.712
  287   1HG   LYS  39           HG2      LYS  39  57.822  10.277   2.103
  288   2HG   LYS  39           HG1      LYS  39  59.449   9.820   1.600
  289   1HD   LYS  39           HD2      LYS  39  59.149  11.298  -0.093
  290   2HD   LYS  39           HD1      LYS  39  58.134  10.048  -0.813
  291   1HE   LYS  39           HE2      LYS  39  56.174  11.138  -0.273
  292   2HE   LYS  39           HE1      LYS  39  56.852  11.831   1.215
  293   1HZ   LYS  39           HZ3      LYS  39  57.839  12.599  -1.468
  294   2HZ   LYS  39           HZ2      LYS  39  56.546  13.414  -0.726
  295   3HZ   LYS  39           HZ1      LYS  39  58.078  13.401   0.007
  296    H    GLU  40           HN       GLU  40  60.240   6.229  -0.724
  297    HA   GLU  40           HA       GLU  40  58.150   4.139  -1.004
  298   1HB   GLU  40           HB2      GLU  40  60.508   5.140  -2.593
  299   2HB   GLU  40           HB1      GLU  40  59.740   3.606  -3.006
  300   1HG   GLU  40           HG2      GLU  40  58.111   6.120  -2.643
  301   2HG   GLU  40           HG1      GLU  40  58.865   5.732  -4.191
  302    H    LEU  41           HN       LEU  41  61.655   4.407  -0.369
  303    HA   LEU  41           HA       LEU  41  62.225   1.617  -0.200
  304   1HB   LEU  41           HB2      LEU  41  64.160   2.507   1.204
  305   2HB   LEU  41           HB1      LEU  41  63.969   3.265  -0.377
  306    HG   LEU  41           HG       LEU  41  62.312   4.729   1.367
  307   1HD1  LEU  41          HD12      LEU  41  63.784   3.530   3.136
  308   2HD1  LEU  41          HD11      LEU  41  65.082   4.571   2.551
  309   3HD1  LEU  41          HD13      LEU  41  63.627   5.283   3.248
  310   1HD2  LEU  41          HD21      LEU  41  64.853   5.121  -0.147
  311   2HD2  LEU  41          HD23      LEU  41  63.324   5.989  -0.277
  312   3HD2  LEU  41          HD22      LEU  41  64.432   6.348   1.047
  313    H    GLY  42           HN       GLY  42  60.753   3.845   2.085
  314   1HA   GLY  42           HA2      GLY  42  61.151   2.482   4.515
  315   2HA   GLY  42           HA1      GLY  42  59.710   3.430   4.148
  316    H    LYS  43           HN       LYS  43  58.210   2.179   2.483
  317    HA   LYS  43           HA       LYS  43  57.190  -0.132   3.790
  318   1HB   LYS  43           HB2      LYS  43  55.700  -0.205   1.911
  319   2HB   LYS  43           HB1      LYS  43  56.089   1.497   2.155
  320   1HG   LYS  43           HG2      LYS  43  58.093   0.840   0.481
  321   2HG   LYS  43           HG1      LYS  43  56.888  -0.331  -0.053
  322   1HD   LYS  43           HD2      LYS  43  55.950   2.465   0.369
  323   2HD   LYS  43           HD1      LYS  43  56.981   2.173  -1.031
  324   1HE   LYS  43           HE2      LYS  43  55.151   1.396  -2.119
  325   2HE   LYS  43           HE1      LYS  43  55.116   0.037  -0.978
  326   1HZ   LYS  43           HZ3      LYS  43  53.962   2.723  -0.444
  327   2HZ   LYS  43           HZ2      LYS  43  53.057   1.366  -0.918
  328   3HZ   LYS  43           HZ1      LYS  43  53.873   1.368   0.572
  329    H    VAL  44           HN       VAL  44  59.685   0.216   1.346
  330    HA   VAL  44           HA       VAL  44  59.665  -2.558   0.471
  331    HB   VAL  44           HB       VAL  44  61.460  -0.150   0.224
  332   1HG1  VAL  44          HG12      VAL  44  62.150  -3.013  -0.294
  333   2HG1  VAL  44          HG11      VAL  44  62.685  -1.811  -1.469
  334   3HG1  VAL  44          HG13      VAL  44  63.191  -1.684   0.217
  335   1HG2  VAL  44          HG23      VAL  44  59.293  -1.194  -1.211
  336   2HG2  VAL  44          HG22      VAL  44  60.394   0.073  -1.754
  337   3HG2  VAL  44          HG21      VAL  44  60.708  -1.610  -2.179
  338    H    MET  45           HN       MET  45  61.095  -0.815   3.149
  339    HA   MET  45           HA       MET  45  63.159  -2.794   3.732
  340   1HB   MET  45           HB2      MET  45  61.925  -0.397   5.081
  341   2HB   MET  45           HB1      MET  45  63.061  -1.423   5.959
  342   1HG   MET  45           HG2      MET  45  63.834  -0.533   3.215
  343   2HG   MET  45           HG1      MET  45  63.902   0.659   4.515
  344   1HE   MET  45           HE3      MET  45  65.612   1.241   5.275
  345   2HE   MET  45           HE2      MET  45  66.001   0.306   6.716
  346   3HE   MET  45           HE1      MET  45  67.191   0.461   5.427
  347    H    ARG  46           HN       ARG  46  59.808  -2.247   4.710
  348    HA   ARG  46           HA       ARG  46  59.860  -4.169   6.904
  349   1HB   ARG  46           HB2      ARG  46  57.485  -3.102   5.359
  350   2HB   ARG  46           HB1      ARG  46  57.528  -3.623   7.043
  351   1HG   ARG  46           HG2      ARG  46  59.366  -1.743   7.264
  352   2HG   ARG  46           HG1      ARG  46  58.591  -1.101   5.815
  353   1HD   ARG  46           HD2      ARG  46  56.915  -1.905   8.193
  354   2HD   ARG  46           HD1      ARG  46  57.681  -0.304   8.124
  355    HE   ARG  46           HE       ARG  46  56.196  -1.142   5.709
  356   1HH1  ARG  46          HH21      ARG  46  54.963  -0.400   8.630
  357   2HH1  ARG  46          HH22      ARG  46  54.290   1.139   8.207
  358   1HH2  ARG  46          HH11      ARG  46  55.918   1.307   5.150
  359   2HH2  ARG  46          HH12      ARG  46  54.829   2.105   6.235
  360    H    MET  47           HN       MET  47  59.064  -4.262   3.460
  361    HA   MET  47           HA       MET  47  57.593  -6.635   3.252
  362   1HB   MET  47           HB2      MET  47  59.239  -4.918   1.617
  363   2HB   MET  47           HB1      MET  47  59.515  -6.602   1.167
  364   1HG   MET  47           HG2      MET  47  56.769  -6.496   1.494
  365   2HG   MET  47           HG1      MET  47  57.138  -4.933   0.765
  366   1HE   MET  47           HE3      MET  47  55.668  -5.583  -1.207
  367   2HE   MET  47           HE2      MET  47  57.085  -4.631  -1.644
  368   3HE   MET  47           HE1      MET  47  56.581  -5.971  -2.672
  369    H    LEU  48           HN       LEU  48  61.054  -6.233   3.871
  370    HA   LEU  48           HA       LEU  48  61.588  -9.122   3.596
  371   1HB   LEU  48           HB2      LEU  48  63.266  -6.774   4.543
  372   2HB   LEU  48           HB1      LEU  48  63.884  -8.383   4.170
  373    HG   LEU  48           HG       LEU  48  62.268  -7.407   1.979
  374   1HD1  LEU  48          HD11      LEU  48  63.152  -5.223   3.082
  375   2HD1  LEU  48          HD13      LEU  48  64.727  -5.737   2.476
  376   3HD1  LEU  48          HD12      LEU  48  63.403  -5.442   1.350
  377   1HD2  LEU  48          HD23      LEU  48  65.021  -8.458   2.488
  378   2HD2  LEU  48          HD22      LEU  48  63.781  -9.052   1.383
  379   3HD2  LEU  48          HD21      LEU  48  64.731  -7.627   0.961
  380    H    GLY  49           HN       GLY  49  61.054  -6.753   6.163
  381   1HA   GLY  49           HA2      GLY  49  60.048  -8.236   8.160
  382   2HA   GLY  49           HA1      GLY  49  61.737  -8.742   8.245
  383    H    GLN  50           HN       GLN  50  62.907  -6.215   7.559
  384    HA   GLN  50           HA       GLN  50  63.358  -4.978   9.987
  385   1HB   GLN  50           HB2      GLN  50  63.045  -3.643   7.276
  386   2HB   GLN  50           HB1      GLN  50  63.986  -3.015   8.629
  387   1HG   GLN  50           HG2      GLN  50  64.680  -5.780   7.966
  388   2HG   GLN  50           HG1      GLN  50  64.956  -4.670   6.623
  389   1HE2  GLN  50          HE22      GLN  50  67.014  -3.974  10.127
  390   2HE2  GLN  50          HE21      GLN  50  65.478  -4.695  10.204
  391    H    ASN  51           HN       ASN  51  62.476  -2.989  10.962
  392    HA   ASN  51           HA       ASN  51  59.689  -2.296  10.140
  393   1HB   ASN  51           HB2      ASN  51  60.582  -3.004  12.954
  394   2HB   ASN  51           HB1      ASN  51  58.937  -2.630  12.439
  395   1HD2  ASN  51          HD22      ASN  51  58.834  -5.774  10.453
  396   2HD2  ASN  51          HD21      ASN  51  58.628  -4.122  10.125
  397    HA   PRO  52           HA       PRO  52  62.495   1.192  11.674
  398   1HB   PRO  52           HB2      PRO  52  63.081   2.352   9.268
  399   2HB   PRO  52           HB1      PRO  52  64.090   1.092  10.004
  400   1HG   PRO  52           HG2      PRO  52  62.091   0.876   7.815
  401   2HG   PRO  52           HG1      PRO  52  63.640   0.045   8.015
  402   1HD   PRO  52           HD2      PRO  52  61.209  -1.101   8.542
  403   2HD   PRO  52           HD1      PRO  52  62.732  -1.606   9.304
  404    H    THR  53           HN       THR  53  61.508   3.178  12.093
  405    HA   THR  53           HA       THR  53  58.776   3.611  11.297
  406    HB   THR  53           HB       THR  53  59.671   6.009  12.265
  407    HG1  THR  53           HG1      THR  53  61.239   5.223  13.903
  408   1HG2  THR  53          HG23      THR  53  57.932   4.415  13.189
  409   2HG2  THR  53          HG22      THR  53  59.248   3.562  13.997
  410   3HG2  THR  53          HG21      THR  53  58.899   5.242  14.409
  411    HA   PRO  54           HA       PRO  54  59.321   5.795   7.526
  412   1HB   PRO  54           HB2      PRO  54  57.133   7.436   7.579
  413   2HB   PRO  54           HB1      PRO  54  57.024   5.689   7.285
  414   1HG   PRO  54           HG2      PRO  54  56.474   7.229   9.767
  415   2HG   PRO  54           HG1      PRO  54  55.649   5.806   9.112
  416   1HD   PRO  54           HD2      PRO  54  57.463   5.724  11.168
  417   2HD   PRO  54           HD1      PRO  54  57.108   4.354  10.094
  418    H    GLU  55           HN       GLU  55  58.473   7.868  10.320
  419    HA   GLU  55           HA       GLU  55  59.540  10.302   9.199
  420   1HB   GLU  55           HB2      GLU  55  57.914   9.755  11.208
  421   2HB   GLU  55           HB1      GLU  55  59.408   9.716  12.143
  422   1HG   GLU  55           HG2      GLU  55  59.956  11.986  11.107
  423   2HG   GLU  55           HG1      GLU  55  58.286  12.022  10.540
  424    H    GLU  56           HN       GLU  56  60.978   7.603  10.925
  425    HA   GLU  56           HA       GLU  56  63.485   9.075  11.467
  426   1HB   GLU  56           HB2      GLU  56  62.076   6.729  12.387
  427   2HB   GLU  56           HB1      GLU  56  63.727   6.291  11.944
  428   1HG   GLU  56           HG2      GLU  56  64.549   8.215  13.325
  429   2HG   GLU  56           HG1      GLU  56  62.889   8.484  13.862
  430    H    LEU  57           HN       LEU  57  62.144   7.453   8.831
  431    HA   LEU  57           HA       LEU  57  64.597   6.164   7.862
  432   1HB   LEU  57           HB2      LEU  57  61.770   6.595   6.970
  433   2HB   LEU  57           HB1      LEU  57  62.966   6.133   5.758
  434    HG   LEU  57           HG       LEU  57  62.714   4.628   8.359
  435   1HD1  LEU  57          HD13      LEU  57  60.790   4.750   6.203
  436   2HD1  LEU  57          HD12      LEU  57  61.494   3.136   6.297
  437   3HD1  LEU  57          HD11      LEU  57  60.707   3.838   7.711
  438   1HD2  LEU  57          HD22      LEU  57  63.732   3.906   5.591
  439   2HD2  LEU  57          HD21      LEU  57  64.737   4.281   6.992
  440   3HD2  LEU  57          HD23      LEU  57  63.732   2.831   6.989
  441    H    GLN  58           HN       GLN  58  62.699   9.078   7.043
  442    HA   GLN  58           HA       GLN  58  64.238   9.963   4.825
  443   1HB   GLN  58           HB2      GLN  58  62.181  10.902   6.624
  444   2HB   GLN  58           HB1      GLN  58  63.329  12.201   6.304
  445   1HG   GLN  58           HG2      GLN  58  62.419  10.556   3.983
  446   2HG   GLN  58           HG1      GLN  58  61.280  11.722   4.659
  447   1HE2  GLN  58          HE22      GLN  58  64.813  13.494   3.586
  448   2HE2  GLN  58          HE21      GLN  58  64.815  12.173   4.652
  449    H    GLU  59           HN       GLU  59  64.852  10.164   8.286
  450    HA   GLU  59           HA       GLU  59  66.850  12.226   8.241
  451   1HB   GLU  59           HB2      GLU  59  65.563  11.227  10.199
  452   2HB   GLU  59           HB1      GLU  59  66.651   9.842  10.102
  453   1HG   GLU  59           HG2      GLU  59  68.326  12.101  10.037
  454   2HG   GLU  59           HG1      GLU  59  67.121  12.450  11.279
  455    H    MET  60           HN       MET  60  66.956   8.776   7.533
  456    HA   MET  60           HA       MET  60  69.892   8.649   7.577
  457   1HB   MET  60           HB2      MET  60  68.010   6.850   8.048
  458   2HB   MET  60           HB1      MET  60  68.084   6.620   6.301
  459   1HG   MET  60           HG2      MET  60  70.642   6.447   6.625
  460   2HG   MET  60           HG1      MET  60  70.276   6.224   8.337
  461   1HE   MET  60           HE3      MET  60  68.975   4.615   9.347
  462   2HE   MET  60           HE2      MET  60  67.522   4.460   8.363
  463   3HE   MET  60           HE1      MET  60  68.487   3.032   8.727
  464    H    ILE  61           HN       ILE  61  67.323   9.043   5.179
  465    HA   ILE  61           HA       ILE  61  68.957   8.576   2.843
  466    HB   ILE  61           HB       ILE  61  66.342   9.971   3.439
  467   1HG1  ILE  61          HG12      ILE  61  66.786   7.569   1.680
  468   2HG1  ILE  61          HG11      ILE  61  66.778   7.381   3.435
  469   1HG2  ILE  61          HG21      ILE  61  68.024  10.240   1.086
  470   2HG2  ILE  61          HG23      ILE  61  66.485   9.481   0.679
  471   3HG2  ILE  61          HG22      ILE  61  66.509  11.057   1.470
  472   1HD1  ILE  61          HD11      ILE  61  64.559   8.718   3.364
  473   2HD1  ILE  61          HD13      ILE  61  64.552   8.341   1.641
  474   3HD1  ILE  61          HD12      ILE  61  64.522   7.037   2.829
  475    H    ASP  62           HN       ASP  62  67.860  11.586   4.455
  476    HA   ASP  62           HA       ASP  62  68.970  13.537   2.830
  477   1HB   ASP  62           HB2      ASP  62  67.678  13.804   4.971
  478   2HB   ASP  62           HB1      ASP  62  69.153  13.412   5.857
  479    H    GLU  63           HN       GLU  63  70.698  11.615   5.301
  480    HA   GLU  63           HA       GLU  63  73.272  12.878   4.754
  481   1HB   GLU  63           HB2      GLU  63  72.603  10.272   6.158
  482   2HB   GLU  63           HB1      GLU  63  74.055  11.250   6.381
  483   1HG   GLU  63           HG2      GLU  63  72.600  13.130   7.178
  484   2HG   GLU  63           HG1      GLU  63  71.217  12.039   7.092
  485    H    VAL  64           HN       VAL  64  71.438  10.299   3.357
  486    HA   VAL  64           HA       VAL  64  73.823   9.040   2.108
  487    HB   VAL  64           HB       VAL  64  70.846   8.439   2.068
  488   1HG1  VAL  64          HG13      VAL  64  73.225   6.927   0.954
  489   2HG1  VAL  64          HG12      VAL  64  71.626   6.214   1.170
  490   3HG1  VAL  64          HG11      VAL  64  71.849   7.559   0.051
  491   1HG2  VAL  64          HG23      VAL  64  72.525   8.164   4.169
  492   2HG2  VAL  64          HG22      VAL  64  71.208   7.036   3.851
  493   3HG2  VAL  64          HG21      VAL  64  72.850   6.643   3.340
  494    H    ASP  65           HN       ASP  65  70.799  10.696   1.155
  495    HA   ASP  65           HA       ASP  65  71.822  10.913  -1.639
  496   1HB   ASP  65           HB2      ASP  65  69.442  10.128  -0.726
  497   2HB   ASP  65           HB1      ASP  65  69.131  11.863  -0.732
  498    H    GLU  66           HN       GLU  66  73.087  12.540   0.377
  499    HA   GLU  66           HA       GLU  66  71.942  15.202   0.445
  500   1HB   GLU  66           HB2      GLU  66  73.594  14.100   2.044
  501   2HB   GLU  66           HB1      GLU  66  74.829  14.356   0.811
  502   1HG   GLU  66           HG2      GLU  66  75.111  16.442   1.606
  503   2HG   GLU  66           HG1      GLU  66  73.476  16.820   1.062
  504    H    ASP  67           HN       ASP  67  71.741  14.655  -2.192
  505    HA   ASP  67           HA       ASP  67  73.169  16.725  -3.514
  506   1HB   ASP  67           HB2      ASP  67  74.713  15.121  -4.839
  507   2HB   ASP  67           HB1      ASP  67  75.178  15.505  -3.182
  508    H    GLY  68           HN       GLY  68  71.670  13.532  -3.788
  509   1HA   GLY  68           HA2      GLY  68  71.009  13.726  -6.584
  510   2HA   GLY  68           HA1      GLY  68  70.239  12.640  -5.426
  511    H    SER  69           HN       SER  69  68.267  13.239  -4.521
  512    HA   SER  69           HA       SER  69  67.223  15.909  -4.454
  513   1HB   SER  69           HB2      SER  69  67.414  14.951  -7.000
  514   2HB   SER  69           HB1      SER  69  65.790  14.414  -6.577
  515    HG   SER  69           HG       SER  69  65.342  16.413  -7.126
  516    H    GLY  70           HN       GLY  70  67.272  13.346  -2.927
  517   1HA   GLY  70           HA2      GLY  70  65.713  12.532  -1.315
  518   2HA   GLY  70           HA1      GLY  70  64.411  13.305  -2.219
  519    H    THR  71           HN       THR  71  66.811  11.217  -3.723
  520    HA   THR  71           HA       THR  71  64.817   9.004  -3.887
  521    HB   THR  71           HB       THR  71  65.251   8.958  -6.368
  522    HG1  THR  71           HG1      THR  71  67.237  10.340  -5.913
  523   1HG2  THR  71          HG23      THR  71  63.477  10.474  -4.950
  524   2HG2  THR  71          HG22      THR  71  64.275  11.709  -5.924
  525   3HG2  THR  71          HG21      THR  71  63.480  10.344  -6.710
  526    H    VAL  72           HN       VAL  72  65.859   7.086  -3.523
  527    HA   VAL  72           HA       VAL  72  68.838   7.029  -3.766
  528    HB   VAL  72           HB       VAL  72  68.362   4.846  -2.372
  529   1HG1  VAL  72          HG12      VAL  72  68.233   7.712  -1.503
  530   2HG1  VAL  72          HG11      VAL  72  68.059   6.427  -0.306
  531   3HG1  VAL  72          HG13      VAL  72  69.528   6.533  -1.277
  532   1HG2  VAL  72          HG21      VAL  72  65.810   5.251  -2.856
  533   2HG2  VAL  72          HG23      VAL  72  66.313   4.699  -1.259
  534   3HG2  VAL  72          HG22      VAL  72  65.933   6.401  -1.525
  535    H    ASP  73           HN       ASP  73  69.815   5.064  -4.631
  536    HA   ASP  73           HA       ASP  73  68.063   3.650  -6.614
  537   1HB   ASP  73           HB2      ASP  73  70.303   3.485  -7.872
  538   2HB   ASP  73           HB1      ASP  73  69.588   5.094  -7.765
  539    H    PHE  74           HN       PHE  74  69.453   1.512  -7.295
  540    HA   PHE  74           HA       PHE  74  69.429  -0.228  -5.041
  541   1HB   PHE  74           HB2      PHE  74  69.353  -0.615  -7.634
  542   2HB   PHE  74           HB1      PHE  74  71.110  -0.685  -7.502
  543    HD1  PHE  74           HD2      PHE  74  67.939  -2.228  -6.340
  544    HD2  PHE  74           HD1      PHE  74  72.218  -2.565  -6.510
  545    HE1  PHE  74           HE2      PHE  74  67.787  -4.566  -5.529
  546    HE2  PHE  74           HE1      PHE  74  72.066  -4.903  -5.699
  547    HZ   PHE  74           HZ       PHE  74  69.850  -5.905  -5.208
  548    H    ASP  75           HN       ASP  75  71.843   1.991  -6.151
  549    HA   ASP  75           HA       ASP  75  74.095   0.626  -4.846
  550   1HB   ASP  75           HB2      ASP  75  73.585   2.804  -6.688
  551   2HB   ASP  75           HB1      ASP  75  74.697   3.326  -5.422
  552    H    GLU  76           HN       GLU  76  72.032   3.474  -4.214
  553    HA   GLU  76           HA       GLU  76  73.392   4.093  -1.694
  554   1HB   GLU  76           HB2      GLU  76  70.805   5.040  -2.974
  555   2HB   GLU  76           HB1      GLU  76  71.565   5.789  -1.570
  556   1HG   GLU  76           HG2      GLU  76  73.466   5.441  -3.747
  557   2HG   GLU  76           HG1      GLU  76  72.077   6.405  -4.248
  558    H    PHE  77           HN       PHE  77  70.100   2.939  -2.561
  559    HA   PHE  77           HA       PHE  77  68.985   2.496  -0.072
  560   1HB   PHE  77           HB2      PHE  77  67.911   2.030  -2.235
  561   2HB   PHE  77           HB1      PHE  77  68.992   0.661  -2.492
  562    HD1  PHE  77           HD2      PHE  77  67.108   1.840   0.527
  563    HD2  PHE  77           HD1      PHE  77  67.760  -1.318  -2.311
  564    HE1  PHE  77           HE2      PHE  77  65.563   0.377   1.800
  565    HE2  PHE  77           HE1      PHE  77  66.215  -2.780  -1.037
  566    HZ   PHE  77           HZ       PHE  77  65.116  -1.933   1.019
  567    H    LEU  78           HN       LEU  78  70.858  -0.036  -1.802
  568    HA   LEU  78           HA       LEU  78  71.067  -1.955   0.187
  569   1HB   LEU  78           HB2      LEU  78  72.569  -1.059  -2.153
  570   2HB   LEU  78           HB1      LEU  78  73.610  -1.832  -0.957
  571    HG   LEU  78           HG       LEU  78  71.714  -3.641  -0.868
  572   1HD1  LEU  78          HD13      LEU  78  70.658  -1.883  -2.794
  573   2HD1  LEU  78          HD12      LEU  78  71.232  -3.280  -3.705
  574   3HD1  LEU  78          HD11      LEU  78  70.067  -3.497  -2.399
  575   1HD2  LEU  78          HD23      LEU  78  74.089  -3.838  -1.787
  576   2HD2  LEU  78          HD22      LEU  78  72.903  -4.931  -2.502
  577   3HD2  LEU  78          HD21      LEU  78  73.407  -3.484  -3.375
  578    H    VAL  79           HN       VAL  79  73.317   0.810  -0.235
  579    HA   VAL  79           HA       VAL  79  75.002   0.368   1.969
  580    HB   VAL  79           HB       VAL  79  73.889   2.995   0.931
  581   1HG1  VAL  79          HG11      VAL  79  76.299   2.220   2.565
  582   2HG1  VAL  79          HG13      VAL  79  76.329   3.667   1.558
  583   3HG1  VAL  79          HG12      VAL  79  75.140   3.517   2.853
  584   1HG2  VAL  79          HG22      VAL  79  75.169   1.018  -0.522
  585   2HG2  VAL  79          HG21      VAL  79  75.140   2.731  -0.943
  586   3HG2  VAL  79          HG23      VAL  79  76.501   2.069  -0.039
  587    H    MET  80           HN       MET  80  71.742   1.748   1.885
  588    HA   MET  80           HA       MET  80  71.756   2.603   4.672
  589   1HB   MET  80           HB2      MET  80  69.946   2.511   2.334
  590   2HB   MET  80           HB1      MET  80  69.134   2.411   3.896
  591   1HG   MET  80           HG2      MET  80  70.645   4.413   4.568
  592   2HG   MET  80           HG1      MET  80  70.896   4.612   2.833
  593   1HE   MET  80           HE3      MET  80  68.466   3.562   1.596
  594   2HE   MET  80           HE2      MET  80  67.247   4.831   1.508
  595   3HE   MET  80           HE1      MET  80  68.917   5.193   1.078
  596    H    MET  81           HN       MET  81  70.911  -0.335   2.929
  597    HA   MET  81           HA       MET  81  69.382  -1.554   5.080
  598   1HB   MET  81           HB2      MET  81  70.171  -2.058   2.366
  599   2HB   MET  81           HB1      MET  81  70.558  -3.480   3.334
  600   1HG   MET  81           HG2      MET  81  67.866  -2.084   3.311
  601   2HG   MET  81           HG1      MET  81  68.241  -3.567   2.433
  602   1HE   MET  81           HE2      MET  81  68.726  -5.538   3.106
  603   2HE   MET  81           HE1      MET  81  68.585  -6.297   4.690
  604   3HE   MET  81           HE3      MET  81  67.131  -5.872   3.776
  605    H    VAL  82           HN       VAL  82  72.632  -2.312   3.757
  606    HA   VAL  82           HA       VAL  82  73.487  -4.127   5.716
  607    HB   VAL  82           HB       VAL  82  75.768  -3.311   5.037
  608   1HG1  VAL  82          HG13      VAL  82  74.468  -4.910   3.639
  609   2HG1  VAL  82          HG12      VAL  82  73.775  -3.547   2.762
  610   3HG1  VAL  82          HG11      VAL  82  75.506  -3.870   2.666
  611   1HG2  VAL  82          HG21      VAL  82  74.136  -0.991   4.295
  612   2HG2  VAL  82          HG23      VAL  82  75.878  -1.099   4.555
  613   3HG2  VAL  82          HG22      VAL  82  75.192  -1.528   2.987
  614    H    ARG  83           HN       ARG  83  73.240  -0.619   5.899
  615    HA   ARG  83           HA       ARG  83  74.808  -0.370   8.353
  616   1HB   ARG  83           HB2      ARG  83  74.572   1.410   6.651
  617   2HB   ARG  83           HB1      ARG  83  72.837   1.475   6.963
  618   1HG   ARG  83           HG2      ARG  83  73.589   1.852   9.456
  619   2HG   ARG  83           HG1      ARG  83  75.108   2.357   8.716
  620   1HD   ARG  83           HD2      ARG  83  73.532   3.811   7.167
  621   2HD   ARG  83           HD1      ARG  83  72.397   3.635   8.521
  622    HE   ARG  83           HE       ARG  83  75.175   4.434   9.182
  623   1HH1  ARG  83          HH11      ARG  83  72.686   6.094   7.804
  624   2HH1  ARG  83          HH12      ARG  83  72.401   7.176   9.127
  625   1HH2  ARG  83          HH21      ARG  83  74.456   5.452  11.324
  626   2HH2  ARG  83          HH22      ARG  83  73.404   6.812  11.120
  627    H    CYS  84           HN       CYS  84  71.488  -1.083   7.555
  628    HA   CYS  84           HA       CYS  84  70.299  -0.254  10.064
  629   1HB   CYS  84           HB2      CYS  84  69.185  -0.645   7.818
  630   2HB   CYS  84           HB1      CYS  84  69.382  -2.375   8.101
  631    HG   CYS  84           HG       CYS  84  68.033  -1.394  10.513
  632    H    MET  85           HN       MET  85  72.224  -2.960   9.115
  633    HA   MET  85           HA       MET  85  71.792  -4.195  11.794
  634   1HB   MET  85           HB2      MET  85  71.327  -6.339  10.816
  635   2HB   MET  85           HB1      MET  85  70.292  -5.185   9.976
  636   1HG   MET  85           HG2      MET  85  72.632  -5.110   8.495
  637   2HG   MET  85           HG1      MET  85  72.494  -6.813   8.932
  638   1HE   MET  85           HE2      MET  85  72.616  -7.191   6.716
  639   2HE   MET  85           HE1      MET  85  71.176  -7.653   5.813
  640   3HE   MET  85           HE3      MET  85  71.931  -6.077   5.535
  641    H    LYS  86           HN       LYS  86  73.654  -5.311  12.544
  642    HA   LYS  86           HA       LYS  86  75.914  -5.962  10.854
  643   1HB   LYS  86           HB2      LYS  86  75.698  -3.343  11.089
  644   2HB   LYS  86           HB1      LYS  86  76.414  -3.624  12.676
  645   1HG   LYS  86           HG2      LYS  86  77.991  -5.173  11.010
  646   2HG   LYS  86           HG1      LYS  86  77.659  -3.748  10.024
  647   1HD   LYS  86           HD2      LYS  86  78.309  -3.143  12.834
  648   2HD   LYS  86           HD1      LYS  86  79.627  -3.890  11.932
  649   1HE   LYS  86           HE2      LYS  86  78.060  -1.542  10.828
  650   2HE   LYS  86           HE1      LYS  86  79.529  -1.335  11.803
  651   1HZ   LYS  86           HZ2      LYS  86  80.376  -3.210  10.182
  652   2HZ   LYS  86           HZ1      LYS  86  79.217  -2.524   9.147
  653   3HZ   LYS  86           HZ3      LYS  86  80.477  -1.567   9.759
  654    H    ASP  87           HN       ASP  87  77.057  -7.507  11.968
  655    HA   ASP  87           HA       ASP  87  77.849  -8.807  13.776
  656   1HB   ASP  87           HB2      ASP  87  78.507  -6.266  14.250
  657   2HB   ASP  87           HB1      ASP  87  77.372  -6.469  15.585
  658    H    ASP  88           HN       ASP  88  75.202  -9.291  13.225
  659    HA   ASP  88           HA       ASP  88  73.768  -9.150  15.848
  660   1HB   ASP  88           HB2      ASP  88  72.707  -8.200  13.808
  661   2HB   ASP  88           HB1      ASP  88  72.809  -9.783  13.037
  662    H    SER  89           HN       SER  89  74.970 -10.980  16.770
  663    HA   SER  89           HA       SER  89  74.261 -13.620  15.525
  664   1HB   SER  89           HB2      SER  89  76.561 -13.634  15.451
  665   2HB   SER  89           HB1      SER  89  76.710 -12.458  16.753
  666    HG   SER  89           HG       SER  89  76.031 -15.208  16.981
   
  No H/Q in entry =         666
  Start of MODEL   13
    1   1H    MET   1           HT2      MET   1  89.215   6.172  -1.321
    2   2H    MET   1           HT1      MET   1  88.979   7.133  -2.702
    3   3H    MET   1           HT3      MET   1  87.806   7.108  -1.475
    4    HA   MET   1           HA       MET   1  86.828   5.680  -2.967
    5   1HB   MET   1           HB2      MET   1  89.718   5.032  -3.608
    6   2HB   MET   1           HB1      MET   1  88.365   4.166  -4.336
    7   1HG   MET   1           HG2      MET   1  87.496   6.600  -4.878
    8   2HG   MET   1           HG1      MET   1  89.198   7.024  -4.698
    9   1HE   MET   1           HE2      MET   1  90.940   6.186  -5.592
   10   2HE   MET   1           HE1      MET   1  91.087   4.747  -6.595
   11   3HE   MET   1           HE3      MET   1  90.983   6.344  -7.345
   12    H    ASP   2           HN       ASP   2  86.556   3.201  -2.952
   13    HA   ASP   2           HA       ASP   2  86.295   1.228  -1.676
   14   1HB   ASP   2           HB2      ASP   2  88.846   1.511  -2.182
   15   2HB   ASP   2           HB1      ASP   2  88.969   1.924  -0.472
   16    H    ASP   3           HN       ASP   3  84.661   1.692  -0.179
   17    HA   ASP   3           HA       ASP   3  85.562   2.793   2.464
   18   1HB   ASP   3           HB2      ASP   3  83.152   3.705   2.503
   19   2HB   ASP   3           HB1      ASP   3  84.270   4.484   1.383
   20    H    ILE   4           HN       ILE   4  83.531   2.272   4.071
   21    HA   ILE   4           HA       ILE   4  83.459  -0.622   4.300
   22    HB   ILE   4           HB       ILE   4  82.233  -0.119   6.332
   23   1HG1  ILE   4          HG12      ILE   4  81.804   2.593   5.039
   24   2HG1  ILE   4          HG11      ILE   4  80.566   1.405   5.444
   25   1HG2  ILE   4          HG22      ILE   4  84.720   0.809   5.820
   26   2HG2  ILE   4          HG21      ILE   4  83.913   2.331   6.196
   27   3HG2  ILE   4          HG23      ILE   4  83.924   1.024   7.379
   28   1HD1  ILE   4          HD12      ILE   4  82.194   2.027   7.764
   29   2HD1  ILE   4          HD11      ILE   4  81.485   3.491   7.082
   30   3HD1  ILE   4          HD13      ILE   4  80.446   2.150   7.566
   31    H    TYR   5           HN       TYR   5  81.069   1.874   3.410
   32    HA   TYR   5           HA       TYR   5  78.764   0.242   3.215
   33   1HB   TYR   5           HB2      TYR   5  79.584   2.557   1.432
   34   2HB   TYR   5           HB1      TYR   5  77.938   2.055   1.818
   35    HD1  TYR   5           HD1      TYR   5  77.184   2.132   4.262
   36    HD2  TYR   5           HD2      TYR   5  80.758   4.049   2.847
   37    HE1  TYR   5           HE1      TYR   5  77.218   3.564   6.286
   38    HE2  TYR   5           HE2      TYR   5  80.793   5.481   4.871
   39    HH   TYR   5           HH       TYR   5  78.121   5.647   7.048
   40    H    LYS   6           HN       LYS   6  81.586   0.389   1.179
   41    HA   LYS   6           HA       LYS   6  80.368  -0.736  -1.211
   42   1HB   LYS   6           HB2      LYS   6  82.991   0.098  -0.182
   43   2HB   LYS   6           HB1      LYS   6  83.083  -1.287  -1.270
   44   1HG   LYS   6           HG2      LYS   6  81.231   0.555  -2.403
   45   2HG   LYS   6           HG1      LYS   6  82.668   1.469  -1.939
   46   1HD   LYS   6           HD2      LYS   6  83.196  -1.135  -3.244
   47   2HD   LYS   6           HD1      LYS   6  82.454   0.088  -4.277
   48   1HE   LYS   6           HE2      LYS   6  84.615   1.182  -2.616
   49   2HE   LYS   6           HE1      LYS   6  85.166  -0.082  -3.734
   50   1HZ   LYS   6           HZ1      LYS   6  83.223   1.861  -4.732
   51   2HZ   LYS   6           HZ3      LYS   6  84.818   2.400  -4.530
   52   3HZ   LYS   6           HZ2      LYS   6  84.492   1.081  -5.550
   53    H    ALA   7           HN       ALA   7  82.195  -2.069   1.548
   54    HA   ALA   7           HA       ALA   7  82.308  -4.777   0.568
   55   1HB   ALA   7           HB3      ALA   7  83.728  -3.720   2.347
   56   2HB   ALA   7           HB2      ALA   7  82.322  -3.712   3.412
   57   3HB   ALA   7           HB1      ALA   7  83.006  -5.243   2.863
   58    H    ALA   8           HN       ALA   8  79.772  -2.889   1.981
   59    HA   ALA   8           HA       ALA   8  78.208  -4.857   3.297
   60   1HB   ALA   8           HB1      ALA   8  77.900  -2.195   2.074
   61   2HB   ALA   8           HB3      ALA   8  76.408  -3.135   2.110
   62   3HB   ALA   8           HB2      ALA   8  77.277  -2.801   3.608
   63    H    VAL   9           HN       VAL   9  78.158  -3.840  -0.138
   64    HA   VAL   9           HA       VAL   9  76.169  -5.846  -0.877
   65    HB   VAL   9           HB       VAL   9  78.083  -4.233  -2.594
   66   1HG1  VAL   9          HG11      VAL   9  75.701  -5.927  -3.075
   67   2HG1  VAL   9          HG13      VAL   9  75.714  -4.384  -3.929
   68   3HG1  VAL   9          HG12      VAL   9  77.036  -5.529  -4.156
   69   1HG2  VAL   9          HG23      VAL   9  76.855  -2.795  -0.979
   70   2HG2  VAL   9          HG22      VAL   9  76.327  -2.514  -2.638
   71   3HG2  VAL   9          HG21      VAL   9  75.334  -3.481  -1.548
   72    H    GLU  10           HN       GLU  10  79.701  -5.603  -0.941
   73    HA   GLU  10           HA       GLU  10  80.350  -7.743  -2.663
   74   1HB   GLU  10           HB2      GLU  10  81.560  -6.110  -0.597
   75   2HB   GLU  10           HB1      GLU  10  82.159  -7.765  -0.497
   76   1HG   GLU  10           HG2      GLU  10  83.399  -7.498  -2.357
   77   2HG   GLU  10           HG1      GLU  10  82.004  -6.907  -3.260
   78    H    GLN  11           HN       GLN  11  79.454  -7.797   0.783
   79    HA   GLN  11           HA       GLN  11  79.948 -10.610   1.191
   80   1HB   GLN  11           HB2      GLN  11  79.016  -8.295   2.608
   81   2HB   GLN  11           HB1      GLN  11  77.890  -9.620   2.901
   82   1HG   GLN  11           HG2      GLN  11  79.468 -10.916   3.966
   83   2HG   GLN  11           HG1      GLN  11  80.805 -10.242   3.033
   84   1HE2  GLN  11          HE22      GLN  11  79.439  -8.085   6.269
   85   2HE2  GLN  11          HE21      GLN  11  78.354  -9.087   5.431
   86    H    LEU  12           HN       LEU  12  77.048  -8.739   0.297
   87    HA   LEU  12           HA       LEU  12  75.081 -10.741   0.420
   88   1HB   LEU  12           HB2      LEU  12  75.534  -8.500  -1.577
   89   2HB   LEU  12           HB1      LEU  12  74.006  -9.359  -1.382
   90    HG   LEU  12           HG       LEU  12  75.436  -7.754   0.757
   91   1HD1  LEU  12          HD13      LEU  12  74.259  -6.452  -1.041
   92   2HD1  LEU  12          HD12      LEU  12  72.768  -7.283  -0.603
   93   3HD1  LEU  12          HD11      LEU  12  73.561  -6.225   0.562
   94   1HD2  LEU  12          HD23      LEU  12  73.352  -9.816   0.855
   95   2HD2  LEU  12          HD22      LEU  12  74.308  -9.127   2.166
   96   3HD2  LEU  12          HD21      LEU  12  72.854  -8.301   1.607
   97    H    THR  13           HN       THR  13  74.422 -12.387  -1.015
   98    HA   THR  13           HA       THR  13  76.479 -13.308  -2.942
   99    HB   THR  13           HB       THR  13  74.477 -15.165  -2.936
  100    HG1  THR  13           HG1      THR  13  73.282 -13.827  -1.483
  101   1HG2  THR  13          HG23      THR  13  76.747 -14.712  -0.997
  102   2HG2  THR  13          HG22      THR  13  75.771 -16.180  -0.973
  103   3HG2  THR  13          HG21      THR  13  76.714 -15.773  -2.406
  104    H    GLU  14           HN       GLU  14  75.419 -14.360  -5.017
  105    HA   GLU  14           HA       GLU  14  74.147 -12.235  -6.525
  106   1HB   GLU  14           HB2      GLU  14  74.361 -13.809  -8.343
  107   2HB   GLU  14           HB1      GLU  14  75.782 -14.014  -7.317
  108   1HG   GLU  14           HG2      GLU  14  74.057 -15.755  -6.131
  109   2HG   GLU  14           HG1      GLU  14  73.530 -15.869  -7.812
  110    H    GLU  15           HN       GLU  15  72.974 -14.994  -4.722
  111    HA   GLU  15           HA       GLU  15  70.355 -15.091  -6.023
  112   1HB   GLU  15           HB2      GLU  15  69.946 -16.815  -4.398
  113   2HB   GLU  15           HB1      GLU  15  71.639 -16.971  -4.869
  114   1HG   GLU  15           HG2      GLU  15  72.236 -15.534  -2.879
  115   2HG   GLU  15           HG1      GLU  15  70.551 -15.656  -2.367
  116    H    GLN  16           HN       GLN  16  71.804 -13.318  -3.388
  117    HA   GLN  16           HA       GLN  16  69.256 -12.608  -2.114
  118   1HB   GLN  16           HB2      GLN  16  72.131 -12.361  -1.678
  119   2HB   GLN  16           HB1      GLN  16  71.281 -10.867  -1.280
  120   1HG   GLN  16           HG2      GLN  16  70.325 -13.563  -0.305
  121   2HG   GLN  16           HG1      GLN  16  71.484 -12.593   0.605
  122   1HE2  GLN  16          HE22      GLN  16  68.220 -11.555   1.938
  123   2HE2  GLN  16          HE21      GLN  16  69.257 -12.896   2.032
  124    H    LYS  17           HN       LYS  17  71.584 -11.072  -4.326
  125    HA   LYS  17           HA       LYS  17  70.465  -8.449  -4.346
  126   1HB   LYS  17           HB2      LYS  17  72.374 -10.080  -5.807
  127   2HB   LYS  17           HB1      LYS  17  71.475  -9.037  -6.909
  128   1HG   LYS  17           HG2      LYS  17  71.957  -7.179  -5.122
  129   2HG   LYS  17           HG1      LYS  17  73.243  -8.268  -4.603
  130   1HD   LYS  17           HD2      LYS  17  73.304  -8.110  -7.460
  131   2HD   LYS  17           HD1      LYS  17  73.259  -6.469  -6.816
  132   1HE   LYS  17           HE2      LYS  17  75.057  -7.876  -5.151
  133   2HE   LYS  17           HE1      LYS  17  75.468  -8.338  -6.814
  134   1HZ   LYS  17           HZ3      LYS  17  75.371  -5.983  -7.429
  135   2HZ   LYS  17           HZ2      LYS  17  75.073  -5.567  -5.808
  136   3HZ   LYS  17           HZ1      LYS  17  76.557  -6.267  -6.250
  137    H    ASN  18           HN       ASN  18  69.970 -11.093  -6.726
  138    HA   ASN  18           HA       ASN  18  68.030  -9.969  -8.360
  139   1HB   ASN  18           HB2      ASN  18  68.709 -12.681  -7.344
  140   2HB   ASN  18           HB1      ASN  18  67.140 -12.520  -8.136
  141   1HD2  ASN  18          HD22      ASN  18  69.923 -13.166 -10.662
  142   2HD2  ASN  18          HD21      ASN  18  69.539 -13.934  -9.198
  143    H    GLU  19           HN       GLU  19  67.539 -11.382  -5.128
  144    HA   GLU  19           HA       GLU  19  64.672 -11.243  -5.113
  145   1HB   GLU  19           HB2      GLU  19  66.394 -12.445  -3.577
  146   2HB   GLU  19           HB1      GLU  19  66.461 -10.913  -2.705
  147   1HG   GLU  19           HG2      GLU  19  64.531 -11.393  -1.655
  148   2HG   GLU  19           HG1      GLU  19  63.711 -11.575  -3.206
  149    H    PHE  20           HN       PHE  20  67.149  -8.988  -3.835
  150    HA   PHE  20           HA       PHE  20  65.284  -7.005  -2.911
  151   1HB   PHE  20           HB2      PHE  20  68.157  -7.409  -3.262
  152   2HB   PHE  20           HB1      PHE  20  67.687  -5.735  -3.552
  153    HD1  PHE  20           HD1      PHE  20  65.491  -5.235  -1.762
  154    HD2  PHE  20           HD2      PHE  20  69.016  -7.598  -1.098
  155    HE1  PHE  20           HE1      PHE  20  65.275  -4.870   0.682
  156    HE2  PHE  20           HE2      PHE  20  68.800  -7.233   1.347
  157    HZ   PHE  20           HZ       PHE  20  66.930  -5.869   2.235
  158    H    LYS  21           HN       LYS  21  67.034  -7.427  -5.989
  159    HA   LYS  21           HA       LYS  21  66.342  -4.961  -7.222
  160   1HB   LYS  21           HB2      LYS  21  67.992  -6.366  -8.206
  161   2HB   LYS  21           HB1      LYS  21  66.914  -7.761  -8.206
  162   1HG   LYS  21           HG2      LYS  21  65.757  -5.538  -9.681
  163   2HG   LYS  21           HG1      LYS  21  67.332  -5.990 -10.332
  164   1HD   LYS  21           HD2      LYS  21  66.146  -8.442  -9.855
  165   2HD   LYS  21           HD1      LYS  21  64.794  -7.456 -10.411
  166   1HE   LYS  21           HE2      LYS  21  65.538  -7.767 -12.530
  167   2HE   LYS  21           HE1      LYS  21  66.975  -6.815 -12.107
  168   1HZ   LYS  21           HZ3      LYS  21  67.601  -9.072 -10.919
  169   2HZ   LYS  21           HZ2      LYS  21  66.616  -9.718 -12.144
  170   3HZ   LYS  21           HZ1      LYS  21  67.982  -8.792 -12.547
  171    H    ALA  22           HN       ALA  22  64.507  -7.959  -6.833
  172    HA   ALA  22           HA       ALA  22  62.394  -7.273  -8.695
  173   1HB   ALA  22           HB1      ALA  22  63.054  -9.325  -6.671
  174   2HB   ALA  22           HB3      ALA  22  61.328  -9.076  -6.935
  175   3HB   ALA  22           HB2      ALA  22  62.373  -9.521  -8.285
  176    H    ALA  23           HN       ALA  23  62.499  -7.293  -5.103
  177    HA   ALA  23           HA       ALA  23  59.942  -5.999  -4.787
  178   1HB   ALA  23           HB1      ALA  23  62.254  -6.868  -3.171
  179   2HB   ALA  23           HB3      ALA  23  61.366  -5.508  -2.488
  180   3HB   ALA  23           HB2      ALA  23  60.530  -7.022  -2.835
  181    H    PHE  24           HN       PHE  24  63.060  -4.797  -5.632
  182    HA   PHE  24           HA       PHE  24  62.580  -2.074  -4.606
  183   1HB   PHE  24           HB2      PHE  24  64.819  -2.956  -4.553
  184   2HB   PHE  24           HB1      PHE  24  64.734  -3.428  -6.250
  185    HD1  PHE  24           HD1      PHE  24  64.537  -0.433  -4.015
  186    HD2  PHE  24           HD2      PHE  24  65.454  -1.951  -7.927
  187    HE1  PHE  24           HE1      PHE  24  65.386   1.799  -4.682
  188    HE2  PHE  24           HE2      PHE  24  66.303   0.280  -8.594
  189    HZ   PHE  24           HZ       PHE  24  66.269   2.156  -6.972
  190    H    ASP  25           HN       ASP  25  62.667  -3.753  -7.749
  191    HA   ASP  25           HA       ASP  25  62.286  -1.446  -9.406
  192   1HB   ASP  25           HB2      ASP  25  62.127  -4.395  -9.565
  193   2HB   ASP  25           HB1      ASP  25  61.159  -3.539 -10.766
  194    H    ILE  26           HN       ILE  26  60.180  -2.917  -7.176
  195    HA   ILE  26           HA       ILE  26  57.686  -2.316  -8.621
  196    HB   ILE  26           HB       ILE  26  58.349  -3.268  -5.825
  197   1HG1  ILE  26          HG12      ILE  26  57.446  -4.654  -8.368
  198   2HG1  ILE  26          HG11      ILE  26  58.986  -4.865  -7.536
  199   1HG2  ILE  26          HG22      ILE  26  55.808  -2.499  -7.145
  200   2HG2  ILE  26          HG21      ILE  26  55.779  -4.044  -6.298
  201   3HG2  ILE  26          HG23      ILE  26  56.206  -2.571  -5.429
  202   1HD1  ILE  26          HD13      ILE  26  56.349  -5.432  -6.190
  203   2HD1  ILE  26          HD12      ILE  26  57.212  -6.660  -7.115
  204   3HD1  ILE  26          HD11      ILE  26  57.958  -5.944  -5.687
  205    H    PHE  27           HN       PHE  27  59.799  -0.212  -7.513
  206    HA   PHE  27           HA       PHE  27  57.717   1.703  -6.626
  207   1HB   PHE  27           HB2      PHE  27  60.072   0.765  -4.966
  208   2HB   PHE  27           HB1      PHE  27  59.168   2.235  -4.603
  209    HD1  PHE  27           HD2      PHE  27  56.765   2.119  -3.983
  210    HD2  PHE  27           HD1      PHE  27  59.130  -1.420  -4.564
  211    HE1  PHE  27           HE2      PHE  27  55.037   0.772  -2.820
  212    HE2  PHE  27           HE1      PHE  27  57.402  -2.766  -3.400
  213    HZ   PHE  27           HZ       PHE  27  55.356  -1.669  -2.528
  214    H    VAL  28           HN       VAL  28  59.974   1.221  -8.778
  215    HA   VAL  28           HA       VAL  28  61.762   3.495  -8.374
  216    HB   VAL  28           HB       VAL  28  61.189   1.486 -10.545
  217   1HG1  VAL  28          HG12      VAL  28  61.650   3.639 -11.666
  218   2HG1  VAL  28          HG11      VAL  28  63.129   3.811 -10.720
  219   3HG1  VAL  28          HG13      VAL  28  62.978   2.503 -11.895
  220   1HG2  VAL  28          HG21      VAL  28  63.628   2.170  -8.874
  221   2HG2  VAL  28          HG23      VAL  28  62.570   0.778  -8.647
  222   3HG2  VAL  28          HG22      VAL  28  63.566   0.901 -10.098
  223    H    LEU  29           HN       LEU  29  58.579   3.234  -9.283
  224    HA   LEU  29           HA       LEU  29  57.125   4.563 -10.628
  225   1HB   LEU  29           HB2      LEU  29  58.191   5.747  -8.390
  226   2HB   LEU  29           HB1      LEU  29  58.519   6.959  -9.629
  227    HG   LEU  29           HG       LEU  29  56.034   6.537 -10.336
  228   1HD1  LEU  29          HD11      LEU  29  56.068   5.554  -7.465
  229   2HD1  LEU  29          HD13      LEU  29  54.611   5.922  -8.389
  230   3HD1  LEU  29          HD12      LEU  29  55.661   4.597  -8.890
  231   1HD2  LEU  29          HD21      LEU  29  56.988   8.053  -7.902
  232   2HD2  LEU  29          HD23      LEU  29  56.624   8.680  -9.509
  233   3HD2  LEU  29          HD22      LEU  29  55.315   8.155  -8.451
  234    H    GLY  30           HN       GLY  30  59.340   3.761 -12.243
  235   1HA   GLY  30           HA2      GLY  30  60.575   4.412 -14.139
  236   2HA   GLY  30           HA1      GLY  30  59.192   5.465 -14.441
  237    H    ALA  31           HN       ALA  31  61.887   5.439 -12.075
  238    HA   ALA  31           HA       ALA  31  62.056   8.368 -12.155
  239   1HB   ALA  31           HB3      ALA  31  62.482   6.551 -10.253
  240   2HB   ALA  31           HB2      ALA  31  64.115   6.576 -10.916
  241   3HB   ALA  31           HB1      ALA  31  63.400   8.058 -10.280
  242    H    GLU  32           HN       GLU  32  64.932   8.548 -11.945
  243    HA   GLU  32           HA       GLU  32  65.756   9.073 -14.559
  244   1HB   GLU  32           HB2      GLU  32  66.835   9.015 -11.969
  245   2HB   GLU  32           HB1      GLU  32  67.905   7.983 -12.920
  246   1HG   GLU  32           HG2      GLU  32  68.723  10.259 -13.074
  247   2HG   GLU  32           HG1      GLU  32  68.036   9.813 -14.637
  248    H    ASP  33           HN       ASP  33  65.455   5.983 -12.969
  249    HA   ASP  33           HA       ASP  33  65.628   4.450 -15.357
  250   1HB   ASP  33           HB2      ASP  33  67.914   5.103 -15.522
  251   2HB   ASP  33           HB1      ASP  33  68.178   4.886 -13.791
  252    H    GLY  34           HN       GLY  34  67.261   3.844 -12.246
  253   1HA   GLY  34           HA2      GLY  34  65.107   1.873 -11.600
  254   2HA   GLY  34           HA1      GLY  34  66.811   1.447 -11.416
  255    H    CYS  35           HN       CYS  35  65.157   4.498 -10.629
  256    HA   CYS  35           HA       CYS  35  66.161   4.181  -7.819
  257   1HB   CYS  35           HB2      CYS  35  65.398   6.693  -9.338
  258   2HB   CYS  35           HB1      CYS  35  66.279   6.601  -7.814
  259    HG   CYS  35           HG       CYS  35  67.517   5.406 -10.426
  260    H    ILE  36           HN       ILE  36  64.675   4.411  -6.128
  261    HA   ILE  36           HA       ILE  36  61.801   4.689  -6.933
  262    HB   ILE  36           HB       ILE  36  61.339   3.278  -5.048
  263   1HG1  ILE  36          HG12      ILE  36  64.243   3.702  -4.264
  264   2HG1  ILE  36          HG11      ILE  36  62.844   4.400  -3.444
  265   1HG2  ILE  36          HG21      ILE  36  63.875   2.407  -6.461
  266   2HG2  ILE  36          HG23      ILE  36  62.898   1.340  -5.451
  267   3HG2  ILE  36          HG22      ILE  36  62.217   2.029  -6.926
  268   1HD1  ILE  36          HD13      ILE  36  63.389   1.432  -3.751
  269   2HD1  ILE  36          HD12      ILE  36  63.653   2.368  -2.280
  270   3HD1  ILE  36          HD11      ILE  36  62.018   2.148  -2.904
  271    H    SER  37           HN       SER  37  60.462   5.595  -4.966
  272    HA   SER  37           HA       SER  37  61.682   8.191  -4.226
  273   1HB   SER  37           HB2      SER  37  58.948   6.941  -4.253
  274   2HB   SER  37           HB1      SER  37  59.223   8.411  -3.323
  275    HG   SER  37           HG       SER  37  59.109   8.014  -6.040
  276    H    THR  38           HN       THR  38  62.536   8.534  -2.214
  277    HA   THR  38           HA       THR  38  63.021   6.671  -0.232
  278    HB   THR  38           HB       THR  38  63.215   8.636   1.261
  279    HG1  THR  38           HG1      THR  38  61.393   9.766   0.772
  280   1HG2  THR  38          HG23      THR  38  64.610   8.187  -1.038
  281   2HG2  THR  38          HG22      THR  38  64.043   9.835  -1.310
  282   3HG2  THR  38          HG21      THR  38  65.004   9.459   0.120
  283    H    LYS  39           HN       LYS  39  60.016   8.497  -0.732
  284    HA   LYS  39           HA       LYS  39  58.702   7.821   1.713
  285   1HB   LYS  39           HB2      LYS  39  56.698   8.472   0.466
  286   2HB   LYS  39           HB1      LYS  39  58.028   9.541   0.017
  287   1HG   LYS  39           HG2      LYS  39  58.401   7.627  -1.830
  288   2HG   LYS  39           HG1      LYS  39  56.665   7.434  -1.589
  289   1HD   LYS  39           HD2      LYS  39  57.968  10.116  -2.113
  290   2HD   LYS  39           HD1      LYS  39  57.316   9.096  -3.396
  291   1HE   LYS  39           HE2      LYS  39  55.388  10.280  -2.971
  292   2HE   LYS  39           HE1      LYS  39  55.212   9.110  -1.647
  293   1HZ   LYS  39           HZ1      LYS  39  57.001  10.979  -0.722
  294   2HZ   LYS  39           HZ3      LYS  39  55.810  11.897  -1.509
  295   3HZ   LYS  39           HZ2      LYS  39  55.372  10.830  -0.263
  296    H    GLU  40           HN       GLU  40  59.344   5.967  -1.181
  297    HA   GLU  40           HA       GLU  40  57.346   3.890  -0.558
  298   1HB   GLU  40           HB2      GLU  40  59.617   3.911  -2.569
  299   2HB   GLU  40           HB1      GLU  40  58.157   2.922  -2.624
  300   1HG   GLU  40           HG2      GLU  40  56.786   4.972  -2.835
  301   2HG   GLU  40           HG1      GLU  40  58.257   5.947  -2.820
  302    H    LEU  41           HN       LEU  41  60.767   4.501  -0.062
  303    HA   LEU  41           HA       LEU  41  61.900   2.008   0.352
  304   1HB   LEU  41           HB2      LEU  41  62.087   4.669   1.737
  305   2HB   LEU  41           HB1      LEU  41  63.020   3.311   2.363
  306    HG   LEU  41           HG       LEU  41  64.194   4.797   0.635
  307   1HD1  LEU  41          HD12      LEU  41  63.906   1.815   0.510
  308   2HD1  LEU  41          HD11      LEU  41  64.895   2.629  -0.702
  309   3HD1  LEU  41          HD13      LEU  41  65.292   2.784   1.009
  310   1HD2  LEU  41          HD23      LEU  41  62.226   3.336  -1.157
  311   2HD2  LEU  41          HD22      LEU  41  62.330   5.079  -0.919
  312   3HD2  LEU  41          HD21      LEU  41  63.636   4.222  -1.737
  313    H    GLY  42           HN       GLY  42  59.386   3.528   2.263
  314   1HA   GLY  42           HA2      GLY  42  59.630   2.046   4.672
  315   2HA   GLY  42           HA1      GLY  42  58.120   2.725   4.065
  316    H    LYS  43           HN       LYS  43  56.912   1.415   2.469
  317    HA   LYS  43           HA       LYS  43  56.407  -1.218   3.244
  318   1HB   LYS  43           HB2      LYS  43  55.551  -1.379   0.796
  319   2HB   LYS  43           HB1      LYS  43  54.870  -0.118   1.822
  320   1HG   LYS  43           HG2      LYS  43  57.313   0.762   0.495
  321   2HG   LYS  43           HG1      LYS  43  56.078   0.266  -0.660
  322   1HD   LYS  43           HD2      LYS  43  55.310   2.018   1.655
  323   2HD   LYS  43           HD1      LYS  43  56.087   2.736   0.244
  324   1HE   LYS  43           HE2      LYS  43  54.314   1.502  -1.163
  325   2HE   LYS  43           HE1      LYS  43  53.452   1.255   0.369
  326   1HZ   LYS  43           HZ2      LYS  43  54.500   3.907  -0.423
  327   2HZ   LYS  43           HZ1      LYS  43  52.952   3.391  -0.894
  328   3HZ   LYS  43           HZ3      LYS  43  53.329   3.544   0.752
  329    H    VAL  44           HN       VAL  44  58.916  -0.044   1.046
  330    HA   VAL  44           HA       VAL  44  59.638  -2.618  -0.046
  331    HB   VAL  44           HB       VAL  44  60.906   0.107   0.222
  332   1HG1  VAL  44          HG11      VAL  44  62.703  -1.627   0.380
  333   2HG1  VAL  44          HG13      VAL  44  62.148  -2.292  -1.157
  334   3HG1  VAL  44          HG12      VAL  44  62.809  -0.658  -1.090
  335   1HG2  VAL  44          HG21      VAL  44  59.037  -0.765  -1.483
  336   2HG2  VAL  44          HG23      VAL  44  60.292   0.365  -1.991
  337   3HG2  VAL  44          HG22      VAL  44  60.458  -1.354  -2.346
  338    H    MET  45           HN       MET  45  60.596  -0.803   2.839
  339    HA   MET  45           HA       MET  45  62.818  -2.550   3.536
  340   1HB   MET  45           HB2      MET  45  61.192  -0.382   4.861
  341   2HB   MET  45           HB1      MET  45  62.392  -1.288   5.783
  342   1HG   MET  45           HG2      MET  45  63.223  -0.194   3.131
  343   2HG   MET  45           HG1      MET  45  63.044   0.942   4.468
  344   1HE   MET  45           HE3      MET  45  64.988   1.766   4.886
  345   2HE   MET  45           HE2      MET  45  66.496   1.004   5.384
  346   3HE   MET  45           HE1      MET  45  66.056   1.041   3.678
  347    H    ARG  46           HN       ARG  46  59.443  -2.207   4.674
  348    HA   ARG  46           HA       ARG  46  59.643  -4.473   6.506
  349   1HB   ARG  46           HB2      ARG  46  57.169  -4.035   6.667
  350   2HB   ARG  46           HB1      ARG  46  58.151  -2.592   6.926
  351   1HG   ARG  46           HG2      ARG  46  57.451  -1.606   4.989
  352   2HG   ARG  46           HG1      ARG  46  57.389  -3.136   4.113
  353   1HD   ARG  46           HD2      ARG  46  55.139  -3.127   4.379
  354   2HD   ARG  46           HD1      ARG  46  55.388  -3.278   6.131
  355    HE   ARG  46           HE       ARG  46  55.855  -0.563   5.337
  356   1HH1  ARG  46          HH11      ARG  46  53.199  -2.489   4.629
  357   2HH1  ARG  46          HH12      ARG  46  52.043  -1.511   5.470
  358   1HH2  ARG  46          HH21      ARG  46  54.435   0.541   6.916
  359   2HH2  ARG  46          HH22      ARG  46  52.743   0.205   6.764
  360    H    MET  47           HN       MET  47  59.298  -4.192   3.141
  361    HA   MET  47           HA       MET  47  57.477  -6.388   2.629
  362   1HB   MET  47           HB2      MET  47  59.311  -4.573   1.179
  363   2HB   MET  47           HB1      MET  47  59.045  -6.133   0.399
  364   1HG   MET  47           HG2      MET  47  56.627  -4.775   1.466
  365   2HG   MET  47           HG1      MET  47  57.385  -4.025   0.062
  366   1HE   MET  47           HE2      MET  47  57.039  -4.354  -1.885
  367   2HE   MET  47           HE1      MET  47  57.826  -5.829  -2.438
  368   3HE   MET  47           HE3      MET  47  56.098  -5.584  -2.724
  369    H    LEU  48           HN       LEU  48  60.954  -6.122   3.170
  370    HA   LEU  48           HA       LEU  48  61.318  -9.011   2.522
  371   1HB   LEU  48           HB2      LEU  48  62.955  -6.541   2.623
  372   2HB   LEU  48           HB1      LEU  48  63.780  -8.013   3.138
  373    HG   LEU  48           HG       LEU  48  62.261  -8.629   0.797
  374   1HD1  LEU  48          HD12      LEU  48  63.058  -5.917   0.811
  375   2HD1  LEU  48          HD11      LEU  48  64.204  -6.757  -0.233
  376   3HD1  LEU  48          HD13      LEU  48  62.475  -6.850  -0.566
  377   1HD2  LEU  48          HD21      LEU  48  65.236  -8.319   1.313
  378   2HD2  LEU  48          HD23      LEU  48  64.289  -9.793   1.519
  379   3HD2  LEU  48          HD22      LEU  48  64.540  -9.124  -0.093
  380    H    GLY  49           HN       GLY  49  61.097  -6.806   5.204
  381   1HA   GLY  49           HA2      GLY  49  60.640  -8.427   7.285
  382   2HA   GLY  49           HA1      GLY  49  62.364  -8.727   7.067
  383    H    GLN  50           HN       GLN  50  63.450  -6.321   6.554
  384    HA   GLN  50           HA       GLN  50  63.713  -5.024   9.021
  385   1HB   GLN  50           HB2      GLN  50  64.336  -4.557   6.201
  386   2HB   GLN  50           HB1      GLN  50  64.098  -3.053   7.091
  387   1HG   GLN  50           HG2      GLN  50  65.630  -4.820   8.736
  388   2HG   GLN  50           HG1      GLN  50  66.372  -4.781   7.136
  389   1HE2  GLN  50          HE22      GLN  50  66.958  -1.671   9.554
  390   2HE2  GLN  50          HE21      GLN  50  66.429  -3.198  10.073
  391    H    ASN  51           HN       ASN  51  62.342  -3.733  10.180
  392    HA   ASN  51           HA       ASN  51  60.223  -2.211   8.709
  393   1HB   ASN  51           HB2      ASN  51  58.646  -2.919  10.485
  394   2HB   ASN  51           HB1      ASN  51  59.320  -4.315   9.643
  395   1HD2  ASN  51          HD22      ASN  51  59.828  -5.393  13.047
  396   2HD2  ASN  51          HD21      ASN  51  58.699  -5.443  11.780
  397    HA   PRO  52           HA       PRO  52  62.603   0.251  11.904
  398   1HB   PRO  52           HB2      PRO  52  63.610   2.123  10.181
  399   2HB   PRO  52           HB1      PRO  52  64.451   0.606  10.559
  400   1HG   PRO  52           HG2      PRO  52  62.831   1.327   8.172
  401   2HG   PRO  52           HG1      PRO  52  64.310   0.362   8.284
  402   1HD   PRO  52           HD2      PRO  52  61.809  -0.712   8.006
  403   2HD   PRO  52           HD1      PRO  52  63.172  -1.560   8.769
  404    H    THR  53           HN       THR  53  62.509   2.985  11.663
  405    HA   THR  53           HA       THR  53  59.578   3.511  11.351
  406    HB   THR  53           HB       THR  53  60.463   3.830  13.587
  407    HG1  THR  53           HG1      THR  53  60.372   6.298  13.559
  408   1HG2  THR  53          HG22      THR  53  62.606   5.390  12.141
  409   2HG2  THR  53          HG21      THR  53  62.317   5.586  13.869
  410   3HG2  THR  53          HG23      THR  53  62.802   4.016  13.228
  411    HA   PRO  54           HA       PRO  54  60.428   6.265   8.031
  412   1HB   PRO  54           HB2      PRO  54  58.370   8.045   8.334
  413   2HB   PRO  54           HB1      PRO  54  58.139   6.396   7.716
  414   1HG   PRO  54           HG2      PRO  54  57.633   7.485  10.439
  415   2HG   PRO  54           HG1      PRO  54  56.703   6.306   9.503
  416   1HD   PRO  54           HD2      PRO  54  58.399   5.624  11.528
  417   2HD   PRO  54           HD1      PRO  54  58.013   4.551  10.164
  418    H    GLU  55           HN       GLU  55  60.533   7.240  11.307
  419    HA   GLU  55           HA       GLU  55  61.255  10.045  10.809
  420   1HB   GLU  55           HB2      GLU  55  61.239   8.206  13.219
  421   2HB   GLU  55           HB1      GLU  55  61.697   9.906  13.310
  422   1HG   GLU  55           HG2      GLU  55  59.333  10.026  11.906
  423   2HG   GLU  55           HG1      GLU  55  59.029   8.699  13.027
  424    H    GLU  56           HN       GLU  56  62.887   6.979  11.040
  425    HA   GLU  56           HA       GLU  56  65.525   8.166  11.613
  426   1HB   GLU  56           HB2      GLU  56  64.385   5.420  11.095
  427   2HB   GLU  56           HB1      GLU  56  66.130   5.673  11.156
  428   1HG   GLU  56           HG2      GLU  56  64.502   6.844  13.365
  429   2HG   GLU  56           HG1      GLU  56  64.715   5.093  13.355
  430    H    LEU  57           HN       LEU  57  64.177   6.202   8.925
  431    HA   LEU  57           HA       LEU  57  66.228   6.402   7.067
  432   1HB   LEU  57           HB2      LEU  57  63.235   6.324   6.953
  433   2HB   LEU  57           HB1      LEU  57  64.118   6.568   5.446
  434    HG   LEU  57           HG       LEU  57  65.216   4.436   7.161
  435   1HD1  LEU  57          HD11      LEU  57  62.414   4.310   6.040
  436   2HD1  LEU  57          HD13      LEU  57  63.374   2.855   6.300
  437   3HD1  LEU  57          HD12      LEU  57  62.959   3.894   7.664
  438   1HD2  LEU  57          HD23      LEU  57  65.207   5.245   4.445
  439   2HD2  LEU  57          HD22      LEU  57  66.039   3.855   5.144
  440   3HD2  LEU  57          HD21      LEU  57  64.408   3.673   4.497
  441    H    GLN  58           HN       GLN  58  63.482   8.709   7.247
  442    HA   GLN  58           HA       GLN  58  64.375  10.606   5.390
  443   1HB   GLN  58           HB2      GLN  58  62.505  10.378   7.581
  444   2HB   GLN  58           HB1      GLN  58  63.222  11.990   7.578
  445   1HG   GLN  58           HG2      GLN  58  62.159  10.724   5.051
  446   2HG   GLN  58           HG1      GLN  58  61.120  11.652   6.131
  447   1HE2  GLN  58          HE22      GLN  58  62.683  13.928   3.539
  448   2HE2  GLN  58          HE21      GLN  58  61.804  12.481   3.415
  449    H    GLU  59           HN       GLU  59  65.305  10.255   8.809
  450    HA   GLU  59           HA       GLU  59  66.855  12.663   9.007
  451   1HB   GLU  59           HB2      GLU  59  66.429  10.123  10.468
  452   2HB   GLU  59           HB1      GLU  59  67.976  10.912  10.783
  453   1HG   GLU  59           HG2      GLU  59  65.434  12.520  10.820
  454   2HG   GLU  59           HG1      GLU  59  65.903  11.575  12.234
  455    H    MET  60           HN       MET  60  67.511   9.543   7.576
  456    HA   MET  60           HA       MET  60  70.430  10.083   7.432
  457   1HB   MET  60           HB2      MET  60  68.792   7.828   7.702
  458   2HB   MET  60           HB1      MET  60  69.411   7.726   6.053
  459   1HG   MET  60           HG2      MET  60  71.719   8.246   7.086
  460   2HG   MET  60           HG1      MET  60  70.973   7.846   8.633
  461   1HE   MET  60           HE3      MET  60  68.868   5.900   7.966
  462   2HE   MET  60           HE2      MET  60  69.573   4.285   7.988
  463   3HE   MET  60           HE1      MET  60  69.987   5.436   9.256
  464    H    ILE  61           HN       ILE  61  67.723   9.344   5.191
  465    HA   ILE  61           HA       ILE  61  68.998   9.601   2.729
  466    HB   ILE  61           HB       ILE  61  66.287  10.619   3.646
  467   1HG1  ILE  61          HG12      ILE  61  66.689   8.106   2.085
  468   2HG1  ILE  61          HG11      ILE  61  67.172   8.085   3.781
  469   1HG2  ILE  61          HG21      ILE  61  67.443  11.272   1.280
  470   2HG2  ILE  61          HG23      ILE  61  66.727   9.718   0.852
  471   3HG2  ILE  61          HG22      ILE  61  65.707  11.017   1.468
  472   1HD1  ILE  61          HD12      ILE  61  64.929   8.902   4.426
  473   2HD1  ILE  61          HD11      ILE  61  64.445   8.897   2.730
  474   3HD1  ILE  61          HD13      ILE  61  64.825   7.379   3.543
  475    H    ASP  62           HN       ASP  62  68.230  12.142   5.039
  476    HA   ASP  62           HA       ASP  62  68.460  14.420   3.330
  477   1HB   ASP  62           HB2      ASP  62  68.562  13.742   6.208
  478   2HB   ASP  62           HB1      ASP  62  69.394  15.235   5.775
  479    H    GLU  63           HN       GLU  63  70.918  12.701   5.277
  480    HA   GLU  63           HA       GLU  63  73.073  14.346   4.077
  481   1HB   GLU  63           HB2      GLU  63  73.056  12.113   6.136
  482   2HB   GLU  63           HB1      GLU  63  74.444  13.130   5.748
  483   1HG   GLU  63           HG2      GLU  63  72.113  14.760   6.310
  484   2HG   GLU  63           HG1      GLU  63  72.447  13.667   7.653
  485    H    VAL  64           HN       VAL  64  71.549  11.261   3.661
  486    HA   VAL  64           HA       VAL  64  73.850  10.036   2.279
  487    HB   VAL  64           HB       VAL  64  71.002   9.273   2.943
  488   1HG1  VAL  64          HG13      VAL  64  72.652   8.263   0.781
  489   2HG1  VAL  64          HG12      VAL  64  72.333   6.998   1.967
  490   3HG1  VAL  64          HG11      VAL  64  70.990   7.845   1.199
  491   1HG2  VAL  64          HG23      VAL  64  72.780   9.157   4.697
  492   2HG2  VAL  64          HG22      VAL  64  72.108   7.574   4.308
  493   3HG2  VAL  64          HG21      VAL  64  73.682   8.046   3.666
  494    H    ASP  65           HN       ASP  65  70.613  11.292   1.434
  495    HA   ASP  65           HA       ASP  65  71.315  11.064  -1.460
  496   1HB   ASP  65           HB2      ASP  65  69.089  10.373  -0.010
  497   2HB   ASP  65           HB1      ASP  65  68.627  11.962  -0.623
  498    H    GLU  66           HN       GLU  66  72.651  13.122  -0.053
  499    HA   GLU  66           HA       GLU  66  71.542  15.642   0.205
  500   1HB   GLU  66           HB2      GLU  66  74.106  14.444  -0.322
  501   2HB   GLU  66           HB1      GLU  66  73.962  15.931  -1.261
  502   1HG   GLU  66           HG2      GLU  66  73.186  15.853   1.653
  503   2HG   GLU  66           HG1      GLU  66  74.860  16.122   1.163
  504    H    ASP  67           HN       ASP  67  72.676  14.203  -2.877
  505    HA   ASP  67           HA       ASP  67  70.977  16.219  -4.314
  506   1HB   ASP  67           HB2      ASP  67  73.748  15.183  -4.661
  507   2HB   ASP  67           HB1      ASP  67  72.830  15.485  -6.138
  508    H    GLY  68           HN       GLY  68  70.149  13.539  -3.364
  509   1HA   GLY  68           HA2      GLY  68  70.002  11.978  -5.887
  510   2HA   GLY  68           HA1      GLY  68  69.554  11.384  -4.289
  511    H    SER  69           HN       SER  69  68.465  14.544  -5.200
  512    HA   SER  69           HA       SER  69  66.232  15.342  -5.352
  513   1HB   SER  69           HB2      SER  69  67.013  14.311  -7.606
  514   2HB   SER  69           HB1      SER  69  65.931  12.980  -7.207
  515    HG   SER  69           HG       SER  69  64.396  14.870  -6.790
  516    H    GLY  70           HN       GLY  70  66.678  13.335  -3.220
  517   1HA   GLY  70           HA2      GLY  70  65.366  12.099  -1.719
  518   2HA   GLY  70           HA1      GLY  70  63.959  12.801  -2.518
  519    H    THR  71           HN       THR  71  66.463  10.770  -4.007
  520    HA   THR  71           HA       THR  71  64.470   8.559  -4.272
  521    HB   THR  71           HB       THR  71  64.961   8.481  -6.694
  522    HG1  THR  71           HG1      THR  71  66.073  10.667  -7.276
  523   1HG2  THR  71          HG21      THR  71  63.337  10.259  -5.418
  524   2HG2  THR  71          HG23      THR  71  64.339  11.352  -6.373
  525   3HG2  THR  71          HG22      THR  71  63.414  10.080  -7.171
  526    H    VAL  72           HN       VAL  72  65.453   6.617  -3.863
  527    HA   VAL  72           HA       VAL  72  68.441   6.535  -3.834
  528    HB   VAL  72           HB       VAL  72  67.807   4.350  -2.490
  529   1HG1  VAL  72          HG11      VAL  72  67.622   7.216  -1.597
  530   2HG1  VAL  72          HG13      VAL  72  67.461   5.891  -0.443
  531   3HG1  VAL  72          HG12      VAL  72  68.950   6.072  -1.375
  532   1HG2  VAL  72          HG21      VAL  72  65.340   4.682  -3.124
  533   2HG2  VAL  72          HG23      VAL  72  65.680   4.380  -1.420
  534   3HG2  VAL  72          HG22      VAL  72  65.338   6.019  -1.976
  535    H    ASP  73           HN       ASP  73  69.537   4.826  -4.843
  536    HA   ASP  73           HA       ASP  73  67.909   3.175  -6.749
  537   1HB   ASP  73           HB2      ASP  73  69.732   3.440  -8.306
  538   2HB   ASP  73           HB1      ASP  73  69.398   5.044  -7.654
  539    H    PHE  74           HN       PHE  74  69.247   1.110  -7.359
  540    HA   PHE  74           HA       PHE  74  69.598  -0.594  -5.206
  541   1HB   PHE  74           HB2      PHE  74  69.953  -0.657  -7.937
  542   2HB   PHE  74           HB1      PHE  74  71.592  -0.940  -7.351
  543    HD1  PHE  74           HD1      PHE  74  68.336  -1.880  -5.784
  544    HD2  PHE  74           HD2      PHE  74  71.944  -3.252  -7.664
  545    HE1  PHE  74           HE1      PHE  74  67.734  -4.221  -5.229
  546    HE2  PHE  74           HE2      PHE  74  71.343  -5.595  -7.110
  547    HZ   PHE  74           HZ       PHE  74  69.238  -6.079  -5.892
  548    H    ASP  75           HN       ASP  75  71.933   1.742  -6.473
  549    HA   ASP  75           HA       ASP  75  74.230   0.860  -5.004
  550   1HB   ASP  75           HB2      ASP  75  74.175   2.429  -6.945
  551   2HB   ASP  75           HB1      ASP  75  73.422   3.643  -5.909
  552    H    GLU  76           HN       GLU  76  72.089   3.663  -4.296
  553    HA   GLU  76           HA       GLU  76  73.117   3.995  -1.613
  554   1HB   GLU  76           HB2      GLU  76  70.562   4.943  -2.952
  555   2HB   GLU  76           HB1      GLU  76  71.253   5.619  -1.476
  556   1HG   GLU  76           HG2      GLU  76  73.092   6.540  -2.606
  557   2HG   GLU  76           HG1      GLU  76  72.907   5.456  -3.986
  558    H    PHE  77           HN       PHE  77  70.011   2.707  -2.867
  559    HA   PHE  77           HA       PHE  77  68.661   2.025  -0.568
  560   1HB   PHE  77           HB2      PHE  77  67.891   1.577  -2.851
  561   2HB   PHE  77           HB1      PHE  77  69.131   0.338  -3.048
  562    HD1  PHE  77           HD1      PHE  77  66.099   1.257  -1.093
  563    HD2  PHE  77           HD2      PHE  77  68.806  -1.875  -2.236
  564    HE1  PHE  77           HE1      PHE  77  64.581  -0.424  -0.083
  565    HE2  PHE  77           HE2      PHE  77  67.288  -3.556  -1.226
  566    HZ   PHE  77           HZ       PHE  77  65.175  -2.831  -0.150
  567    H    LEU  78           HN       LEU  78  70.973  -0.232  -2.138
  568    HA   LEU  78           HA       LEU  78  71.102  -2.240  -0.235
  569   1HB   LEU  78           HB2      LEU  78  72.865  -1.031  -2.255
  570   2HB   LEU  78           HB1      LEU  78  73.741  -1.885  -0.984
  571    HG   LEU  78           HG       LEU  78  71.472  -3.030  -2.639
  572   1HD1  LEU  78          HD12      LEU  78  74.258  -2.771  -3.169
  573   2HD1  LEU  78          HD11      LEU  78  73.948  -4.468  -2.810
  574   3HD1  LEU  78          HD13      LEU  78  73.058  -3.664  -4.103
  575   1HD2  LEU  78          HD23      LEU  78  72.922  -3.922  -0.195
  576   2HD2  LEU  78          HD22      LEU  78  71.273  -4.271  -0.713
  577   3HD2  LEU  78          HD21      LEU  78  72.625  -5.149  -1.428
  578    H    VAL  79           HN       VAL  79  73.111   0.734  -0.197
  579    HA   VAL  79           HA       VAL  79  74.506   0.290   2.205
  580    HB   VAL  79           HB       VAL  79  73.358   2.858   1.060
  581   1HG1  VAL  79          HG12      VAL  79  74.338   2.774   3.489
  582   2HG1  VAL  79          HG11      VAL  79  75.891   2.625   2.666
  583   3HG1  VAL  79          HG13      VAL  79  74.879   4.043   2.390
  584   1HG2  VAL  79          HG22      VAL  79  74.992   1.129  -0.228
  585   2HG2  VAL  79          HG21      VAL  79  75.103   2.878  -0.435
  586   3HG2  VAL  79          HG23      VAL  79  76.196   2.050   0.675
  587    H    MET  80           HN       MET  80  71.395   2.040   1.817
  588    HA   MET  80           HA       MET  80  70.808   2.668   4.460
  589   1HB   MET  80           HB2      MET  80  69.285   1.911   2.017
  590   2HB   MET  80           HB1      MET  80  68.380   1.913   3.531
  591   1HG   MET  80           HG2      MET  80  68.519   4.181   3.766
  592   2HG   MET  80           HG1      MET  80  70.149   4.251   3.100
  593   1HE   MET  80           HE3      MET  80  68.453   6.251   2.833
  594   2HE   MET  80           HE2      MET  80  68.495   6.732   1.138
  595   3HE   MET  80           HE1      MET  80  66.987   6.157   1.846
  596    H    MET  81           HN       MET  81  70.504  -0.503   2.880
  597    HA   MET  81           HA       MET  81  69.202  -1.815   5.109
  598   1HB   MET  81           HB2      MET  81  70.103  -2.359   2.440
  599   2HB   MET  81           HB1      MET  81  70.709  -3.630   3.502
  600   1HG   MET  81           HG2      MET  81  67.861  -2.758   3.811
  601   2HG   MET  81           HG1      MET  81  68.278  -3.791   2.444
  602   1HE   MET  81           HE1      MET  81  69.748  -5.626   2.554
  603   2HE   MET  81           HE3      MET  81  70.793  -5.697   3.980
  604   3HE   MET  81           HE2      MET  81  69.580  -6.945   3.709
  605    H    VAL  82           HN       VAL  82  72.494  -2.427   3.831
  606    HA   VAL  82           HA       VAL  82  73.529  -3.765   6.073
  607    HB   VAL  82           HB       VAL  82  75.713  -3.075   5.130
  608   1HG1  VAL  82          HG11      VAL  82  73.854  -4.621   3.930
  609   2HG1  VAL  82          HG13      VAL  82  74.045  -3.385   2.687
  610   3HG1  VAL  82          HG12      VAL  82  75.441  -4.320   3.222
  611   1HG2  VAL  82          HG21      VAL  82  74.671  -0.677   4.683
  612   2HG2  VAL  82          HG23      VAL  82  75.964  -1.295   3.654
  613   3HG2  VAL  82          HG22      VAL  82  74.288  -1.378   3.110
  614    H    ARG  83           HN       ARG  83  72.892  -0.355   5.643
  615    HA   ARG  83           HA       ARG  83  74.631   0.637   7.732
  616   1HB   ARG  83           HB2      ARG  83  73.746   2.030   5.926
  617   2HB   ARG  83           HB1      ARG  83  72.093   1.695   6.444
  618   1HG   ARG  83           HG2      ARG  83  72.702   3.861   7.321
  619   2HG   ARG  83           HG1      ARG  83  72.671   2.728   8.673
  620   1HD   ARG  83           HD2      ARG  83  75.172   2.424   8.358
  621   2HD   ARG  83           HD1      ARG  83  75.115   3.780   7.213
  622    HE   ARG  83           HE       ARG  83  73.773   4.368   9.737
  623   1HH1  ARG  83          HH21      ARG  83  76.005   5.486   7.570
  624   2HH1  ARG  83          HH22      ARG  83  77.093   6.166   8.734
  625   1HH2  ARG  83          HH11      ARG  83  75.499   4.727  11.457
  626   2HH2  ARG  83          HH12      ARG  83  76.805   5.737  10.935
  627    H    CYS  84           HN       CYS  84  71.048   0.521   7.720
  628    HA   CYS  84           HA       CYS  84  70.730   0.789  10.532
  629   1HB   CYS  84           HB2      CYS  84  69.170   0.182   8.151
  630   2HB   CYS  84           HB1      CYS  84  68.587  -0.734   9.540
  631    HG   CYS  84           HG       CYS  84  69.005   2.116  10.384
  632    H    MET  85           HN       MET  85  71.758  -1.914   8.643
  633    HA   MET  85           HA       MET  85  70.872  -4.104  10.242
  634   1HB   MET  85           HB2      MET  85  72.749  -3.504   8.100
  635   2HB   MET  85           HB1      MET  85  73.401  -4.722   9.196
  636   1HG   MET  85           HG2      MET  85  70.804  -5.562   8.925
  637   2HG   MET  85           HG1      MET  85  71.133  -4.903   7.323
  638   1HE   MET  85           HE3      MET  85  71.049  -6.651   5.946
  639   2HE   MET  85           HE2      MET  85  72.674  -6.129   5.509
  640   3HE   MET  85           HE1      MET  85  72.325  -7.847   5.681
  641    H    LYS  86           HN       LYS  86  71.197  -3.002  12.434
  642    HA   LYS  86           HA       LYS  86  73.516  -4.077  13.764
  643   1HB   LYS  86           HB2      LYS  86  74.143  -1.905  12.300
  644   2HB   LYS  86           HB1      LYS  86  73.610  -1.096  13.775
  645   1HG   LYS  86           HG2      LYS  86  75.156  -2.585  15.078
  646   2HG   LYS  86           HG1      LYS  86  75.767  -3.213  13.548
  647   1HD   LYS  86           HD2      LYS  86  75.764  -0.341  13.444
  648   2HD   LYS  86           HD1      LYS  86  76.598  -0.864  14.907
  649   1HE   LYS  86           HE2      LYS  86  77.591  -2.636  13.049
  650   2HE   LYS  86           HE1      LYS  86  77.421  -1.151  12.091
  651   1HZ   LYS  86           HZ2      LYS  86  78.453   0.037  14.020
  652   2HZ   LYS  86           HZ1      LYS  86  78.836  -1.481  14.679
  653   3HZ   LYS  86           HZ3      LYS  86  79.503  -1.011  13.192
  654    H    ASP  87           HN       ASP  87  70.898  -1.692  13.759
  655    HA   ASP  87           HA       ASP  87  70.370  -2.374  16.623
  656   1HB   ASP  87           HB2      ASP  87  70.157  -0.030  17.145
  657   2HB   ASP  87           HB1      ASP  87  71.680  -0.220  16.274
  658    H    ASP  88           HN       ASP  88  68.102  -1.879  17.241
  659    HA   ASP  88           HA       ASP  88  66.263  -1.984  14.873
  660   1HB   ASP  88           HB2      ASP  88  66.664  -3.759  16.945
  661   2HB   ASP  88           HB1      ASP  88  65.279  -2.829  17.519
  662    H    SER  89           HN       SER  89  63.995  -1.097  15.493
  663    HA   SER  89           HA       SER  89  64.378   1.561  16.782
  664   1HB   SER  89           HB2      SER  89  63.465   1.415  14.499
  665   2HB   SER  89           HB1      SER  89  62.174   0.363  15.070
  666    HG   SER  89           HG       SER  89  62.651   3.088  15.668
   
  No H/Q in entry =         666
  Start of MODEL   14
    1   1H    MET   1           HT2      MET   1  87.774  -0.505   7.523
    2   2H    MET   1           HT1      MET   1  89.052  -0.997   6.518
    3   3H    MET   1           HT3      MET   1  89.044  -1.439   8.154
    4    HA   MET   1           HA       MET   1  89.355   0.840   8.841
    5   1HB   MET   1           HB2      MET   1  91.205  -0.778   8.064
    6   2HB   MET   1           HB1      MET   1  91.256   0.177   6.582
    7   1HG   MET   1           HG2      MET   1  92.902   1.168   7.968
    8   2HG   MET   1           HG1      MET   1  91.501   2.228   8.130
    9   1HE   MET   1           HE2      MET   1  93.595   2.557   9.705
   10   2HE   MET   1           HE1      MET   1  93.176   2.481  11.415
   11   3HE   MET   1           HE3      MET   1  94.183   1.220  10.691
   12    H    ASP   2           HN       ASP   2  89.254   0.494   5.282
   13    HA   ASP   2           HA       ASP   2  88.561   3.410   5.116
   14   1HB   ASP   2           HB2      ASP   2  90.777   2.601   4.179
   15   2HB   ASP   2           HB1      ASP   2  89.855   1.645   3.018
   16    H    ASP   3           HN       ASP   3  86.579   3.855   4.215
   17    HA   ASP   3           HA       ASP   3  84.498   3.497   3.152
   18   1HB   ASP   3           HB2      ASP   3  86.638   2.273   1.608
   19   2HB   ASP   3           HB1      ASP   3  85.117   1.412   1.371
   20    H    ILE   4           HN       ILE   4  83.041   2.530   4.534
   21    HA   ILE   4           HA       ILE   4  83.401  -0.354   5.219
   22    HB   ILE   4           HB       ILE   4  82.002   0.165   7.102
   23   1HG1  ILE   4          HG12      ILE   4  81.445   2.841   5.783
   24   2HG1  ILE   4          HG11      ILE   4  80.329   1.474   5.762
   25   1HG2  ILE   4          HG23      ILE   4  84.375   1.161   6.989
   26   2HG2  ILE   4          HG22      ILE   4  83.581   2.704   6.677
   27   3HG2  ILE   4          HG21      ILE   4  83.278   1.846   8.187
   28   1HD1  ILE   4          HD11      ILE   4  80.587   1.498   8.345
   29   2HD1  ILE   4          HD13      ILE   4  81.238   3.122   8.118
   30   3HD1  ILE   4          HD12      ILE   4  79.593   2.752   7.602
   31    H    TYR   5           HN       TYR   5  81.335   1.858   3.464
   32    HA   TYR   5           HA       TYR   5  79.040   0.069   3.276
   33   1HB   TYR   5           HB2      TYR   5  79.901   2.461   1.613
   34   2HB   TYR   5           HB1      TYR   5  78.276   1.777   1.676
   35    HD1  TYR   5           HD2      TYR   5  77.145   1.636   4.012
   36    HD2  TYR   5           HD1      TYR   5  80.536   4.127   3.143
   37    HE1  TYR   5           HE2      TYR   5  76.636   3.025   6.003
   38    HE2  TYR   5           HE1      TYR   5  80.027   5.515   5.134
   39    HH   TYR   5           HH       TYR   5  78.487   5.962   6.716
   40    H    LYS   6           HN       LYS   6  82.002   0.573   1.454
   41    HA   LYS   6           HA       LYS   6  81.272  -0.603  -1.033
   42   1HB   LYS   6           HB2      LYS   6  83.431   0.617  -0.076
   43   2HB   LYS   6           HB1      LYS   6  83.969  -1.039   0.205
   44   1HG   LYS   6           HG2      LYS   6  84.037  -1.550  -2.052
   45   2HG   LYS   6           HG1      LYS   6  82.794  -0.369  -2.464
   46   1HD   LYS   6           HD2      LYS   6  84.297   1.425  -2.420
   47   2HD   LYS   6           HD1      LYS   6  85.452   0.559  -1.405
   48   1HE   LYS   6           HE2      LYS   6  85.594  -1.085  -3.471
   49   2HE   LYS   6           HE1      LYS   6  84.997   0.327  -4.366
   50   1HZ   LYS   6           HZ2      LYS   6  87.092   0.781  -2.381
   51   2HZ   LYS   6           HZ1      LYS   6  87.556   0.010  -3.823
   52   3HZ   LYS   6           HZ3      LYS   6  86.833   1.544  -3.878
   53    H    ALA   7           HN       ALA   7  82.058  -2.046   2.079
   54    HA   ALA   7           HA       ALA   7  82.402  -4.752   1.017
   55   1HB   ALA   7           HB1      ALA   7  82.328  -3.357   3.666
   56   2HB   ALA   7           HB3      ALA   7  82.105  -5.107   3.645
   57   3HB   ALA   7           HB2      ALA   7  83.580  -4.398   2.987
   58    H    ALA   8           HN       ALA   8  79.763  -2.810   2.311
   59    HA   ALA   8           HA       ALA   8  77.881  -4.745   3.069
   60   1HB   ALA   8           HB3      ALA   8  77.776  -2.048   1.744
   61   2HB   ALA   8           HB2      ALA   8  76.278  -2.943   1.991
   62   3HB   ALA   8           HB1      ALA   8  77.280  -2.503   3.374
   63    H    VAL   9           HN       VAL   9  78.512  -3.495  -0.224
   64    HA   VAL   9           HA       VAL   9  76.648  -5.448  -1.405
   65    HB   VAL   9           HB       VAL   9  78.590  -3.575  -2.778
   66   1HG1  VAL   9          HG12      VAL   9  77.368  -5.219  -4.176
   67   2HG1  VAL   9          HG11      VAL   9  75.841  -4.610  -3.536
   68   3HG1  VAL   9          HG13      VAL   9  76.862  -3.565  -4.524
   69   1HG2  VAL   9          HG23      VAL   9  76.324  -2.962  -1.036
   70   2HG2  VAL   9          HG22      VAL   9  77.536  -1.877  -1.716
   71   3HG2  VAL   9          HG21      VAL   9  76.110  -2.307  -2.659
   72    H    GLU  10           HN       GLU  10  80.053  -5.185  -0.730
   73    HA   GLU  10           HA       GLU  10  81.011  -7.020  -2.756
   74   1HB   GLU  10           HB2      GLU  10  82.012  -5.319  -0.735
   75   2HB   GLU  10           HB1      GLU  10  82.591  -6.935  -0.330
   76   1HG   GLU  10           HG2      GLU  10  84.214  -6.567  -1.864
   77   2HG   GLU  10           HG1      GLU  10  82.955  -6.817  -3.073
   78    H    GLN  11           HN       GLN  11  79.535  -7.408   0.394
   79    HA   GLN  11           HA       GLN  11  80.402 -10.209   0.693
   80   1HB   GLN  11           HB2      GLN  11  79.135  -8.075   2.242
   81   2HB   GLN  11           HB1      GLN  11  78.360  -9.638   2.506
   82   1HG   GLN  11           HG2      GLN  11  80.321  -9.124   4.047
   83   2HG   GLN  11           HG1      GLN  11  80.429 -10.651   3.171
   84   1HE2  GLN  11          HE22      GLN  11  82.829  -7.552   1.897
   85   2HE2  GLN  11          HE21      GLN  11  81.325  -7.191   2.593
   86    H    LEU  12           HN       LEU  12  77.389  -8.440  -0.047
   87    HA   LEU  12           HA       LEU  12  75.616 -10.653  -0.173
   88   1HB   LEU  12           HB2      LEU  12  75.737  -8.042  -1.717
   89   2HB   LEU  12           HB1      LEU  12  74.318  -9.089  -1.652
   90    HG   LEU  12           HG       LEU  12  75.639  -7.626   0.644
   91   1HD1  LEU  12          HD11      LEU  12  73.217  -7.306  -1.000
   92   2HD1  LEU  12          HD13      LEU  12  72.919  -7.217   0.737
   93   3HD1  LEU  12          HD12      LEU  12  74.074  -6.119  -0.018
   94   1HD2  LEU  12          HD23      LEU  12  73.717  -9.946   0.610
   95   2HD2  LEU  12          HD22      LEU  12  75.139  -9.705   1.625
   96   3HD2  LEU  12          HD21      LEU  12  73.672  -8.773   1.926
   97    H    THR  13           HN       THR  13  74.963 -11.971  -1.950
   98    HA   THR  13           HA       THR  13  76.972 -12.147  -4.166
   99    HB   THR  13           HB       THR  13  75.509 -14.479  -4.160
  100    HG1  THR  13           HG1      THR  13  74.379 -13.871  -2.317
  101   1HG2  THR  13          HG22      THR  13  78.115 -13.684  -3.685
  102   2HG2  THR  13          HG21      THR  13  77.672 -14.501  -2.186
  103   3HG2  THR  13          HG23      THR  13  77.547 -15.354  -3.724
  104    H    GLU  14           HN       GLU  14  75.972 -12.972  -6.279
  105    HA   GLU  14           HA       GLU  14  74.076 -11.226  -7.355
  106   1HB   GLU  14           HB2      GLU  14  75.523 -13.538  -8.094
  107   2HB   GLU  14           HB1      GLU  14  73.840 -13.874  -8.503
  108   1HG   GLU  14           HG2      GLU  14  73.790 -11.566  -9.599
  109   2HG   GLU  14           HG1      GLU  14  75.545 -11.556  -9.432
  110    H    GLU  15           HN       GLU  15  73.402 -14.578  -6.255
  111    HA   GLU  15           HA       GLU  15  70.632 -14.646  -6.571
  112   1HB   GLU  15           HB2      GLU  15  72.691 -15.914  -4.905
  113   2HB   GLU  15           HB1      GLU  15  71.094 -15.928  -4.153
  114   1HG   GLU  15           HG2      GLU  15  70.360 -17.508  -5.580
  115   2HG   GLU  15           HG1      GLU  15  70.905 -16.575  -6.974
  116    H    GLN  16           HN       GLN  16  72.489 -13.146  -3.931
  117    HA   GLN  16           HA       GLN  16  70.154 -12.422  -2.356
  118   1HB   GLN  16           HB2      GLN  16  73.097 -11.819  -2.421
  119   2HB   GLN  16           HB1      GLN  16  72.048 -10.846  -1.389
  120   1HG   GLN  16           HG2      GLN  16  71.122 -13.173  -0.602
  121   2HG   GLN  16           HG1      GLN  16  72.652 -13.784  -1.234
  122   1HE2  GLN  16          HE22      GLN  16  74.625 -12.263   1.320
  123   2HE2  GLN  16          HE21      GLN  16  74.662 -12.964  -0.226
  124    H    LYS  17           HN       LYS  17  72.308 -10.645  -4.591
  125    HA   LYS  17           HA       LYS  17  71.104  -8.081  -4.351
  126   1HB   LYS  17           HB2      LYS  17  72.860  -9.575  -6.195
  127   2HB   LYS  17           HB1      LYS  17  71.988  -8.240  -6.949
  128   1HG   LYS  17           HG2      LYS  17  73.545  -6.859  -6.085
  129   2HG   LYS  17           HG1      LYS  17  72.862  -7.211  -4.497
  130   1HD   LYS  17           HD2      LYS  17  74.896  -8.062  -3.982
  131   2HD   LYS  17           HD1      LYS  17  74.442  -9.431  -4.997
  132   1HE   LYS  17           HE2      LYS  17  75.657  -6.960  -6.236
  133   2HE   LYS  17           HE1      LYS  17  76.685  -8.230  -5.542
  134   1HZ   LYS  17           HZ1      LYS  17  74.445  -8.980  -7.292
  135   2HZ   LYS  17           HZ3      LYS  17  75.884  -8.424  -7.998
  136   3HZ   LYS  17           HZ2      LYS  17  75.904  -9.801  -7.003
  137    H    ASN  18           HN       ASN  18  70.280 -10.848  -6.435
  138    HA   ASN  18           HA       ASN  18  68.332  -9.564  -8.072
  139   1HB   ASN  18           HB2      ASN  18  69.271 -12.233  -7.384
  140   2HB   ASN  18           HB1      ASN  18  67.528 -12.220  -7.657
  141   1HD2  ASN  18          HD22      ASN  18  69.195 -12.654 -10.976
  142   2HD2  ASN  18          HD21      ASN  18  69.159 -13.542  -9.531
  143    H    GLU  19           HN       GLU  19  68.132 -10.921  -4.811
  144    HA   GLU  19           HA       GLU  19  65.260 -10.916  -4.590
  145   1HB   GLU  19           HB2      GLU  19  67.599 -11.492  -3.031
  146   2HB   GLU  19           HB1      GLU  19  66.530 -10.464  -2.073
  147   1HG   GLU  19           HG2      GLU  19  65.287 -12.289  -1.632
  148   2HG   GLU  19           HG1      GLU  19  64.839 -12.323  -3.338
  149    H    PHE  20           HN       PHE  20  67.651  -8.657  -3.147
  150    HA   PHE  20           HA       PHE  20  65.729  -6.685  -2.373
  151   1HB   PHE  20           HB2      PHE  20  68.665  -6.965  -2.691
  152   2HB   PHE  20           HB1      PHE  20  68.058  -5.308  -2.708
  153    HD1  PHE  20           HD2      PHE  20  65.771  -5.386  -0.912
  154    HD2  PHE  20           HD1      PHE  20  69.577  -7.346  -0.560
  155    HE1  PHE  20           HE2      PHE  20  65.507  -5.454   1.552
  156    HE2  PHE  20           HE1      PHE  20  69.313  -7.413   1.905
  157    HZ   PHE  20           HZ       PHE  20  67.278  -6.468   2.962
  158    H    LYS  21           HN       LYS  21  67.510  -7.215  -5.387
  159    HA   LYS  21           HA       LYS  21  66.964  -4.705  -6.648
  160   1HB   LYS  21           HB2      LYS  21  68.623  -6.372  -7.398
  161   2HB   LYS  21           HB1      LYS  21  67.323  -7.501  -7.781
  162   1HG   LYS  21           HG2      LYS  21  66.466  -5.367  -9.188
  163   2HG   LYS  21           HG1      LYS  21  68.203  -5.063  -9.240
  164   1HD   LYS  21           HD2      LYS  21  67.470  -7.868  -9.746
  165   2HD   LYS  21           HD1      LYS  21  66.865  -6.739 -10.958
  166   1HE   LYS  21           HE2      LYS  21  69.513  -5.914 -10.434
  167   2HE   LYS  21           HE1      LYS  21  69.575  -7.682 -10.575
  168   1HZ   LYS  21           HZ2      LYS  21  68.173  -5.868 -12.468
  169   2HZ   LYS  21           HZ1      LYS  21  69.686  -6.588 -12.755
  170   3HZ   LYS  21           HZ3      LYS  21  68.303  -7.557 -12.605
  171    H    ALA  22           HN       ALA  22  65.241  -7.843  -6.878
  172    HA   ALA  22           HA       ALA  22  63.119  -6.959  -8.560
  173   1HB   ALA  22           HB1      ALA  22  63.940  -9.305  -7.577
  174   2HB   ALA  22           HB3      ALA  22  62.669  -8.980  -6.397
  175   3HB   ALA  22           HB2      ALA  22  62.276  -9.076  -8.114
  176    H    ALA  23           HN       ALA  23  63.121  -7.358  -4.992
  177    HA   ALA  23           HA       ALA  23  60.575  -6.236  -4.479
  178   1HB   ALA  23           HB3      ALA  23  62.385  -7.437  -3.000
  179   2HB   ALA  23           HB2      ALA  23  62.954  -5.797  -2.688
  180   3HB   ALA  23           HB1      ALA  23  61.310  -6.258  -2.247
  181    H    PHE  24           HN       PHE  24  63.696  -4.673  -5.052
  182    HA   PHE  24           HA       PHE  24  62.737  -2.003  -4.321
  183   1HB   PHE  24           HB2      PHE  24  65.055  -2.588  -4.000
  184   2HB   PHE  24           HB1      PHE  24  65.207  -3.127  -5.671
  185    HD1  PHE  24           HD2      PHE  24  65.186  -1.488  -7.531
  186    HD2  PHE  24           HD1      PHE  24  65.127  -0.246  -3.420
  187    HE1  PHE  24           HE2      PHE  24  65.818   0.810  -8.217
  188    HE2  PHE  24           HE1      PHE  24  65.759   2.053  -4.106
  189    HZ   PHE  24           HZ       PHE  24  66.105   2.580  -6.504
  190    H    ASP  25           HN       ASP  25  63.406  -3.780  -7.342
  191    HA   ASP  25           HA       ASP  25  62.907  -1.640  -9.165
  192   1HB   ASP  25           HB2      ASP  25  63.965  -3.914  -9.566
  193   2HB   ASP  25           HB1      ASP  25  62.337  -4.592  -9.545
  194    H    ILE  26           HN       ILE  26  60.766  -3.391  -7.124
  195    HA   ILE  26           HA       ILE  26  58.375  -3.115  -8.783
  196    HB   ILE  26           HB       ILE  26  59.019  -3.910  -5.947
  197   1HG1  ILE  26          HG12      ILE  26  57.975  -5.343  -8.408
  198   2HG1  ILE  26          HG11      ILE  26  59.567  -5.533  -7.672
  199   1HG2  ILE  26          HG23      ILE  26  56.328  -3.529  -7.271
  200   2HG2  ILE  26          HG22      ILE  26  56.552  -4.636  -5.916
  201   3HG2  ILE  26          HG21      ILE  26  56.871  -2.914  -5.709
  202   1HD1  ILE  26          HD11      ILE  26  57.438  -5.929  -5.734
  203   2HD1  ILE  26          HD13      ILE  26  57.292  -7.041  -7.095
  204   3HD1  ILE  26          HD12      ILE  26  58.781  -6.992  -6.152
  205    H    PHE  27           HN       PHE  27  60.181  -0.775  -7.427
  206    HA   PHE  27           HA       PHE  27  57.783   0.895  -6.759
  207   1HB   PHE  27           HB2      PHE  27  60.391   0.483  -5.297
  208   2HB   PHE  27           HB1      PHE  27  59.428   1.938  -5.043
  209    HD1  PHE  27           HD1      PHE  27  59.315  -1.785  -4.913
  210    HD2  PHE  27           HD2      PHE  27  57.477   1.900  -3.690
  211    HE1  PHE  27           HE1      PHE  27  57.827  -3.037  -3.376
  212    HE2  PHE  27           HE2      PHE  27  55.988   0.647  -2.151
  213    HZ   PHE  27           HZ       PHE  27  56.163  -1.821  -1.995
  214    H    VAL  28           HN       VAL  28  59.733   0.567  -9.155
  215    HA   VAL  28           HA       VAL  28  61.020   3.239  -9.210
  216    HB   VAL  28           HB       VAL  28  60.960   0.850 -11.079
  217   1HG1  VAL  28          HG11      VAL  28  62.185   3.583 -11.337
  218   2HG1  VAL  28          HG13      VAL  28  62.998   2.191 -12.054
  219   3HG1  VAL  28          HG12      VAL  28  61.362   2.615 -12.560
  220   1HG2  VAL  28          HG22      VAL  28  62.656   1.760  -8.837
  221   2HG2  VAL  28          HG21      VAL  28  62.437   0.139  -9.494
  222   3HG2  VAL  28          HG23      VAL  28  63.548   1.262 -10.275
  223    H    LEU  29           HN       LEU  29  57.994   2.750  -9.325
  224    HA   LEU  29           HA       LEU  29  56.838   3.129 -11.832
  225   1HB   LEU  29           HB2      LEU  29  55.121   4.436 -10.522
  226   2HB   LEU  29           HB1      LEU  29  55.569   2.903  -9.773
  227    HG   LEU  29           HG       LEU  29  57.440   4.661  -8.738
  228   1HD1  LEU  29          HD11      LEU  29  55.052   6.137  -9.570
  229   2HD1  LEU  29          HD13      LEU  29  55.385   6.300  -7.846
  230   3HD1  LEU  29          HD12      LEU  29  56.614   6.748  -9.028
  231   1HD2  LEU  29          HD21      LEU  29  54.765   3.711  -7.676
  232   2HD2  LEU  29          HD23      LEU  29  56.344   2.968  -7.420
  233   3HD2  LEU  29          HD22      LEU  29  55.968   4.519  -6.671
  234    H    GLY  30           HN       GLY  30  58.676   5.449  -9.909
  235   1HA   GLY  30           HA2      GLY  30  58.750   7.252 -12.263
  236   2HA   GLY  30           HA1      GLY  30  58.188   7.931 -10.735
  237    H    ALA  31           HN       ALA  31  60.901   7.493 -12.621
  238    HA   ALA  31           HA       ALA  31  62.698   8.617 -10.690
  239   1HB   ALA  31           HB2      ALA  31  62.096   5.925 -10.277
  240   2HB   ALA  31           HB1      ALA  31  63.651   5.883 -11.108
  241   3HB   ALA  31           HB3      ALA  31  63.479   6.786  -9.603
  242    H    GLU  32           HN       GLU  32  65.030   8.470 -11.528
  243    HA   GLU  32           HA       GLU  32  65.227   9.212 -14.243
  244   1HB   GLU  32           HB2      GLU  32  66.916   8.694 -11.967
  245   2HB   GLU  32           HB1      GLU  32  67.671   8.022 -13.412
  246   1HG   GLU  32           HG2      GLU  32  66.509  10.802 -13.430
  247   2HG   GLU  32           HG1      GLU  32  68.147  10.509 -12.845
  248    H    ASP  33           HN       ASP  33  66.480   6.133 -12.895
  249    HA   ASP  33           HA       ASP  33  65.287   4.559 -15.054
  250   1HB   ASP  33           HB2      ASP  33  67.421   4.024 -16.137
  251   2HB   ASP  33           HB1      ASP  33  67.185   5.772 -16.137
  252    H    GLY  34           HN       GLY  34  64.652   3.671 -12.808
  253   1HA   GLY  34           HA2      GLY  34  64.908   1.464 -11.782
  254   2HA   GLY  34           HA1      GLY  34  66.650   1.598 -12.027
  255    H    CYS  35           HN       CYS  35  64.517   4.104 -10.705
  256    HA   CYS  35           HA       CYS  35  65.911   3.780  -8.066
  257   1HB   CYS  35           HB2      CYS  35  65.316   6.251  -9.718
  258   2HB   CYS  35           HB1      CYS  35  65.820   6.325  -8.029
  259    HG   CYS  35           HG       CYS  35  67.675   4.750  -9.949
  260    H    ILE  36           HN       ILE  36  64.633   4.586  -6.230
  261    HA   ILE  36           HA       ILE  36  61.694   4.771  -6.821
  262    HB   ILE  36           HB       ILE  36  61.362   3.429  -4.796
  263   1HG1  ILE  36          HG12      ILE  36  64.389   3.325  -4.618
  264   2HG1  ILE  36          HG11      ILE  36  63.378   4.358  -3.606
  265   1HG2  ILE  36          HG23      ILE  36  63.442   2.302  -6.692
  266   2HG2  ILE  36          HG22      ILE  36  62.518   1.332  -5.544
  267   3HG2  ILE  36          HG21      ILE  36  61.690   2.177  -6.852
  268   1HD1  ILE  36          HD11      ILE  36  62.490   1.556  -3.682
  269   2HD1  ILE  36          HD13      ILE  36  64.097   1.771  -2.988
  270   3HD1  ILE  36          HD12      ILE  36  62.718   2.627  -2.299
  271    H    SER  37           HN       SER  37  60.480   5.953  -5.105
  272    HA   SER  37           HA       SER  37  61.936   8.353  -4.241
  273   1HB   SER  37           HB2      SER  37  59.146   7.356  -4.469
  274   2HB   SER  37           HB1      SER  37  59.428   8.576  -3.230
  275    HG   SER  37           HG       SER  37  59.664   8.730  -6.011
  276    H    THR  38           HN       THR  38  62.515   8.839  -2.120
  277    HA   THR  38           HA       THR  38  63.109   6.916  -0.208
  278    HB   THR  38           HB       THR  38  62.914   8.894   1.396
  279    HG1  THR  38           HG1      THR  38  62.309  10.838   0.462
  280   1HG2  THR  38          HG21      THR  38  64.372   9.029  -1.237
  281   2HG2  THR  38          HG23      THR  38  64.559  10.301  -0.031
  282   3HG2  THR  38          HG22      THR  38  65.014   8.642   0.359
  283    H    LYS  39           HN       LYS  39  60.019   8.640  -0.626
  284    HA   LYS  39           HA       LYS  39  58.726   7.627   1.727
  285   1HB   LYS  39           HB2      LYS  39  57.578   8.440  -0.966
  286   2HB   LYS  39           HB1      LYS  39  56.705   8.408   0.567
  287   1HG   LYS  39           HG2      LYS  39  57.568  10.394   1.224
  288   2HG   LYS  39           HG1      LYS  39  59.194   9.951   0.701
  289   1HD   LYS  39           HD2      LYS  39  58.928  10.883  -1.374
  290   2HD   LYS  39           HD1      LYS  39  57.219  10.454  -1.459
  291   1HE   LYS  39           HE2      LYS  39  58.180  12.575   0.469
  292   2HE   LYS  39           HE1      LYS  39  57.786  12.973  -1.216
  293   1HZ   LYS  39           HZ1      LYS  39  55.724  11.446  -0.641
  294   2HZ   LYS  39           HZ3      LYS  39  56.036  12.022   0.925
  295   3HZ   LYS  39           HZ2      LYS  39  55.712  13.117  -0.334
  296    H    GLU  40           HN       GLU  40  59.661   6.076  -1.180
  297    HA   GLU  40           HA       GLU  40  57.542   4.026  -1.120
  298   1HB   GLU  40           HB2      GLU  40  60.118   4.287  -2.706
  299   2HB   GLU  40           HB1      GLU  40  58.799   3.171  -3.064
  300   1HG   GLU  40           HG2      GLU  40  58.402   6.167  -2.911
  301   2HG   GLU  40           HG1      GLU  40  58.804   5.336  -4.414
  302    H    LEU  41           HN       LEU  41  61.036   4.247  -0.412
  303    HA   LEU  41           HA       LEU  41  61.753   1.637   0.125
  304   1HB   LEU  41           HB2      LEU  41  62.823   4.070   0.536
  305   2HB   LEU  41           HB1      LEU  41  62.398   3.680   2.203
  306    HG   LEU  41           HG       LEU  41  64.155   2.063   0.339
  307   1HD1  LEU  41          HD12      LEU  41  65.209   4.003   1.475
  308   2HD1  LEU  41          HD11      LEU  41  64.679   3.363   3.031
  309   3HD1  LEU  41          HD13      LEU  41  65.854   2.471   2.065
  310   1HD2  LEU  41          HD21      LEU  41  62.731   1.363   2.878
  311   2HD2  LEU  41          HD23      LEU  41  63.091   0.349   1.481
  312   3HD2  LEU  41          HD22      LEU  41  64.362   0.735   2.640
  313    H    GLY  42           HN       GLY  42  59.823   3.756   2.253
  314   1HA   GLY  42           HA2      GLY  42  59.639   2.197   4.551
  315   2HA   GLY  42           HA1      GLY  42  58.288   3.153   3.938
  316    H    LYS  43           HN       LYS  43  57.426   1.959   1.737
  317    HA   LYS  43           HA       LYS  43  56.073  -0.400   2.612
  318   1HB   LYS  43           HB2      LYS  43  56.529   1.099   0.062
  319   2HB   LYS  43           HB1      LYS  43  55.831  -0.517  -0.051
  320   1HG   LYS  43           HG2      LYS  43  53.831   0.378   0.467
  321   2HG   LYS  43           HG1      LYS  43  54.470   0.752   2.067
  322   1HD   LYS  43           HD2      LYS  43  55.439   2.678   0.143
  323   2HD   LYS  43           HD1      LYS  43  53.678   2.594   0.082
  324   1HE   LYS  43           HE2      LYS  43  53.430   3.313   2.283
  325   2HE   LYS  43           HE1      LYS  43  55.023   2.699   2.768
  326   1HZ   LYS  43           HZ2      LYS  43  55.770   4.392   0.903
  327   2HZ   LYS  43           HZ1      LYS  43  54.335   5.172   1.370
  328   3HZ   LYS  43           HZ3      LYS  43  55.552   4.882   2.515
  329    H    VAL  44           HN       VAL  44  59.167   0.091   1.036
  330    HA   VAL  44           HA       VAL  44  59.490  -2.685   0.178
  331    HB   VAL  44           HB       VAL  44  61.182  -0.192   0.357
  332   1HG1  VAL  44          HG13      VAL  44  62.058  -3.024  -0.082
  333   2HG1  VAL  44          HG12      VAL  44  62.829  -1.743  -1.018
  334   3HG1  VAL  44          HG11      VAL  44  62.895  -1.710   0.744
  335   1HG2  VAL  44          HG21      VAL  44  59.412  -1.215  -1.532
  336   2HG2  VAL  44          HG23      VAL  44  60.623   0.034  -1.824
  337   3HG2  VAL  44          HG22      VAL  44  60.997  -1.656  -2.168
  338    H    MET  45           HN       MET  45  60.076  -0.857   3.089
  339    HA   MET  45           HA       MET  45  62.063  -2.691   4.204
  340   1HB   MET  45           HB2      MET  45  60.427  -0.339   5.129
  341   2HB   MET  45           HB1      MET  45  61.344  -1.288   6.299
  342   1HG   MET  45           HG2      MET  45  62.781  -0.468   3.824
  343   2HG   MET  45           HG1      MET  45  62.417   0.805   4.989
  344   1HE   MET  45           HE1      MET  45  65.255   0.581   4.477
  345   2HE   MET  45           HE3      MET  45  64.613   1.479   5.860
  346   3HE   MET  45           HE2      MET  45  65.987   0.396   6.069
  347    H    ARG  46           HN       ARG  46  58.568  -2.110   4.675
  348    HA   ARG  46           HA       ARG  46  58.259  -4.173   6.692
  349   1HB   ARG  46           HB2      ARG  46  55.885  -3.668   6.377
  350   2HB   ARG  46           HB1      ARG  46  56.805  -2.163   6.365
  351   1HG   ARG  46           HG2      ARG  46  55.715  -1.754   4.416
  352   2HG   ARG  46           HG1      ARG  46  56.886  -2.878   3.722
  353   1HD   ARG  46           HD2      ARG  46  55.358  -4.650   3.673
  354   2HD   ARG  46           HD1      ARG  46  54.358  -3.951   4.962
  355    HE   ARG  46           HE       ARG  46  54.441  -2.161   2.715
  356   1HH1  ARG  46          HH21      ARG  46  53.373  -5.342   3.441
  357   2HH1  ARG  46          HH22      ARG  46  51.861  -5.174   2.614
  358   1HH2  ARG  46          HH11      ARG  46  52.378  -1.845   1.793
  359   2HH2  ARG  46          HH12      ARG  46  51.297  -3.194   1.680
  360    H    MET  47           HN       MET  47  58.374  -4.157   3.219
  361    HA   MET  47           HA       MET  47  56.855  -6.583   2.758
  362   1HB   MET  47           HB2      MET  47  58.500  -4.628   1.307
  363   2HB   MET  47           HB1      MET  47  58.629  -6.262   0.655
  364   1HG   MET  47           HG2      MET  47  56.386  -6.360   0.081
  365   2HG   MET  47           HG1      MET  47  55.909  -5.215   1.335
  366   1HE   MET  47           HE2      MET  47  56.413  -6.105  -1.890
  367   2HE   MET  47           HE1      MET  47  56.194  -4.672  -2.891
  368   3HE   MET  47           HE3      MET  47  57.821  -5.197  -2.437
  369    H    LEU  48           HN       LEU  48  60.032  -5.942   3.944
  370    HA   LEU  48           HA       LEU  48  60.858  -8.772   3.399
  371   1HB   LEU  48           HB2      LEU  48  62.202  -6.123   3.482
  372   2HB   LEU  48           HB1      LEU  48  63.126  -7.476   4.136
  373    HG   LEU  48           HG       LEU  48  62.109  -8.577   1.844
  374   1HD1  LEU  48          HD11      LEU  48  62.468  -5.611   1.451
  375   2HD1  LEU  48          HD13      LEU  48  62.754  -6.735   0.122
  376   3HD1  LEU  48          HD12      LEU  48  61.163  -6.650   0.879
  377   1HD2  LEU  48          HD21      LEU  48  64.647  -7.569   2.828
  378   2HD2  LEU  48          HD23      LEU  48  64.331  -8.971   1.806
  379   3HD2  LEU  48          HD22      LEU  48  64.537  -7.378   1.078
  380    H    GLY  49           HN       GLY  49  60.007  -6.493   5.848
  381   1HA   GLY  49           HA2      GLY  49  59.477  -7.734   8.039
  382   2HA   GLY  49           HA1      GLY  49  61.154  -8.279   7.955
  383    H    GLN  50           HN       GLN  50  62.551  -6.064   7.261
  384    HA   GLN  50           HA       GLN  50  63.015  -4.619   9.572
  385   1HB   GLN  50           HB2      GLN  50  63.464  -4.330   6.693
  386   2HB   GLN  50           HB1      GLN  50  63.398  -2.774   7.521
  387   1HG   GLN  50           HG2      GLN  50  65.660  -3.367   7.729
  388   2HG   GLN  50           HG1      GLN  50  64.978  -3.906   9.262
  389   1HE2  GLN  50          HE22      GLN  50  65.871  -6.776   6.444
  390   2HE2  GLN  50          HE21      GLN  50  65.441  -5.219   5.924
  391    H    ASN  51           HN       ASN  51  61.873  -3.114  10.730
  392    HA   ASN  51           HA       ASN  51  59.721  -1.564   9.343
  393   1HB   ASN  51           HB2      ASN  51  59.585  -3.533  11.557
  394   2HB   ASN  51           HB1      ASN  51  58.646  -2.059  11.799
  395   1HD2  ASN  51          HD22      ASN  51  57.177  -4.861   9.369
  396   2HD2  ASN  51          HD21      ASN  51  58.425  -5.135  10.486
  397    HA   PRO  52           HA       PRO  52  62.487   0.949  12.149
  398   1HB   PRO  52           HB2      PRO  52  63.357   2.707  10.241
  399   2HB   PRO  52           HB1      PRO  52  64.183   1.176  10.593
  400   1HG   PRO  52           HG2      PRO  52  62.335   1.859   8.367
  401   2HG   PRO  52           HG1      PRO  52  63.781   0.837   8.363
  402   1HD   PRO  52           HD2      PRO  52  61.222  -0.135   8.412
  403   2HD   PRO  52           HD1      PRO  52  62.630  -1.013   9.049
  404    H    THR  53           HN       THR  53  62.450   3.672  11.805
  405    HA   THR  53           HA       THR  53  59.519   4.297  11.676
  406    HB   THR  53           HB       THR  53  60.344   6.216  13.216
  407    HG1  THR  53           HG1      THR  53  62.315   5.870  14.155
  408   1HG2  THR  53          HG21      THR  53  59.596   3.526  13.703
  409   2HG2  THR  53          HG23      THR  53  60.894   3.905  14.835
  410   3HG2  THR  53          HG22      THR  53  59.438   4.901  14.795
  411    HA   PRO  54           HA       PRO  54  60.323   7.222   8.504
  412   1HB   PRO  54           HB2      PRO  54  58.514   9.184   9.108
  413   2HB   PRO  54           HB1      PRO  54  58.042   7.609   8.439
  414   1HG   PRO  54           HG2      PRO  54  57.916   8.587  11.244
  415   2HG   PRO  54           HG1      PRO  54  56.789   7.551  10.357
  416   1HD   PRO  54           HD2      PRO  54  58.613   6.619  12.172
  417   2HD   PRO  54           HD1      PRO  54  57.961   5.650  10.832
  418    H    GLU  55           HN       GLU  55  60.528   8.229  11.848
  419    HA   GLU  55           HA       GLU  55  61.621  10.873  11.377
  420   1HB   GLU  55           HB2      GLU  55  60.688   9.312  13.504
  421   2HB   GLU  55           HB1      GLU  55  62.398   9.557  13.864
  422   1HG   GLU  55           HG2      GLU  55  62.132  11.788  14.227
  423   2HG   GLU  55           HG1      GLU  55  60.987  11.965  12.896
  424    H    GLU  56           HN       GLU  56  63.052   7.664  11.996
  425    HA   GLU  56           HA       GLU  56  65.795   8.711  11.920
  426   1HB   GLU  56           HB2      GLU  56  64.361   6.140  12.369
  427   2HB   GLU  56           HB1      GLU  56  66.023   6.019  11.789
  428   1HG   GLU  56           HG2      GLU  56  66.909   6.937  13.707
  429   2HG   GLU  56           HG1      GLU  56  65.488   7.937  14.010
  430    H    LEU  57           HN       LEU  57  63.488   7.400   9.652
  431    HA   LEU  57           HA       LEU  57  65.271   6.412   7.643
  432   1HB   LEU  57           HB2      LEU  57  62.535   6.689   8.090
  433   2HB   LEU  57           HB1      LEU  57  62.827   7.702   6.677
  434    HG   LEU  57           HG       LEU  57  64.013   5.806   5.591
  435   1HD1  LEU  57          HD11      LEU  57  63.642   4.682   8.282
  436   2HD1  LEU  57          HD13      LEU  57  63.186   3.575   6.987
  437   3HD1  LEU  57          HD12      LEU  57  64.813   4.251   7.035
  438   1HD2  LEU  57          HD22      LEU  57  61.195   5.277   6.582
  439   2HD2  LEU  57          HD21      LEU  57  61.656   6.095   5.090
  440   3HD2  LEU  57          HD23      LEU  57  61.965   4.369   5.280
  441    H    GLN  58           HN       GLN  58  63.372   9.428   7.349
  442    HA   GLN  58           HA       GLN  58  64.747  10.681   5.308
  443   1HB   GLN  58           HB2      GLN  58  63.388  11.617   7.817
  444   2HB   GLN  58           HB1      GLN  58  64.157  12.807   6.767
  445   1HG   GLN  58           HG2      GLN  58  62.502  10.825   5.342
  446   2HG   GLN  58           HG1      GLN  58  61.600  11.881   6.431
  447   1HE2  GLN  58          HE22      GLN  58  63.863  14.082   3.841
  448   2HE2  GLN  58          HE21      GLN  58  64.596  12.953   4.876
  449    H    GLU  59           HN       GLU  59  65.626  10.820   8.776
  450    HA   GLU  59           HA       GLU  59  67.831  12.537   8.682
  451   1HB   GLU  59           HB2      GLU  59  66.695  11.330  10.635
  452   2HB   GLU  59           HB1      GLU  59  67.720   9.948  10.246
  453   1HG   GLU  59           HG2      GLU  59  68.774  11.320  11.989
  454   2HG   GLU  59           HG1      GLU  59  69.728  11.378  10.505
  455    H    MET  60           HN       MET  60  67.781   9.029   7.983
  456    HA   MET  60           HA       MET  60  70.637   8.923   7.400
  457   1HB   MET  60           HB2      MET  60  69.259   7.044   8.284
  458   2HB   MET  60           HB1      MET  60  68.364   7.013   6.765
  459   1HG   MET  60           HG2      MET  60  70.022   5.908   5.689
  460   2HG   MET  60           HG1      MET  60  71.270   6.944   6.380
  461   1HE   MET  60           HE2      MET  60  68.507   4.720   7.332
  462   2HE   MET  60           HE1      MET  60  69.155   3.436   8.350
  463   3HE   MET  60           HE3      MET  60  68.813   5.030   9.039
  464    H    ILE  61           HN       ILE  61  67.652   8.965   5.437
  465    HA   ILE  61           HA       ILE  61  68.890   8.678   2.878
  466    HB   ILE  61           HB       ILE  61  66.348  10.018   3.841
  467   1HG1  ILE  61          HG12      ILE  61  66.378   7.485   2.286
  468   2HG1  ILE  61          HG11      ILE  61  67.009   7.394   3.930
  469   1HG2  ILE  61          HG23      ILE  61  67.226  10.790   1.556
  470   2HG2  ILE  61          HG22      ILE  61  66.946   9.136   1.013
  471   3HG2  ILE  61          HG21      ILE  61  65.596  10.118   1.584
  472   1HD1  ILE  61          HD13      ILE  61  64.817   8.793   4.480
  473   2HD1  ILE  61          HD12      ILE  61  64.241   8.040   2.994
  474   3HD1  ILE  61          HD11      ILE  61  64.759   7.035   4.347
  475    H    ASP  62           HN       ASP  62  68.330  11.516   4.921
  476    HA   ASP  62           HA       ASP  62  68.708  13.634   3.147
  477   1HB   ASP  62           HB2      ASP  62  69.398  13.068   6.006
  478   2HB   ASP  62           HB1      ASP  62  69.967  14.577   5.290
  479    H    GLU  63           HN       GLU  63  71.342  11.963   4.939
  480    HA   GLU  63           HA       GLU  63  73.381  13.277   3.272
  481   1HB   GLU  63           HB2      GLU  63  74.903  12.094   4.788
  482   2HB   GLU  63           HB1      GLU  63  73.604  12.839   5.719
  483   1HG   GLU  63           HG2      GLU  63  73.213  10.800   6.602
  484   2HG   GLU  63           HG1      GLU  63  72.593  10.331   5.019
  485    H    VAL  64           HN       VAL  64  71.467  10.468   3.024
  486    HA   VAL  64           HA       VAL  64  73.498   8.948   1.472
  487    HB   VAL  64           HB       VAL  64  70.726   8.440   2.567
  488   1HG1  VAL  64          HG12      VAL  64  71.989   7.215   0.263
  489   2HG1  VAL  64          HG11      VAL  64  71.764   6.029   1.550
  490   3HG1  VAL  64          HG13      VAL  64  70.381   6.933   0.930
  491   1HG2  VAL  64          HG23      VAL  64  73.460   7.204   3.026
  492   2HG2  VAL  64          HG22      VAL  64  72.575   8.240   4.146
  493   3HG2  VAL  64          HG21      VAL  64  71.967   6.627   3.767
  494    H    ASP  65           HN       ASP  65  70.389  10.608   1.053
  495    HA   ASP  65           HA       ASP  65  70.206   9.892  -1.793
  496   1HB   ASP  65           HB2      ASP  65  68.086  10.983  -1.634
  497   2HB   ASP  65           HB1      ASP  65  68.320  10.193  -0.075
  498    H    GLU  66           HN       GLU  66  72.550  11.552  -0.815
  499    HA   GLU  66           HA       GLU  66  72.103  14.257  -1.827
  500   1HB   GLU  66           HB2      GLU  66  74.396  14.556  -1.194
  501   2HB   GLU  66           HB1      GLU  66  73.706  13.454   0.001
  502   1HG   GLU  66           HG2      GLU  66  75.298  11.954  -0.520
  503   2HG   GLU  66           HG1      GLU  66  74.617  11.840  -2.142
  504    H    ASP  67           HN       ASP  67  71.320  12.561  -3.872
  505    HA   ASP  67           HA       ASP  67  73.376  13.146  -5.938
  506   1HB   ASP  67           HB2      ASP  67  72.173  10.404  -5.427
  507   2HB   ASP  67           HB1      ASP  67  73.310  10.808  -6.714
  508    H    GLY  68           HN       GLY  68  70.351  13.646  -5.046
  509   1HA   GLY  68           HA2      GLY  68  69.367  14.118  -7.706
  510   2HA   GLY  68           HA1      GLY  68  68.615  12.672  -7.034
  511    H    SER  69           HN       SER  69  67.044  12.907  -5.438
  512    HA   SER  69           HA       SER  69  66.661  15.283  -3.859
  513   1HB   SER  69           HB2      SER  69  64.536  15.947  -5.203
  514   2HB   SER  69           HB1      SER  69  66.103  16.401  -5.867
  515    HG   SER  69           HG       SER  69  64.556  15.314  -7.323
  516    H    GLY  70           HN       GLY  70  66.540  12.944  -2.755
  517   1HA   GLY  70           HA2      GLY  70  65.061  11.747  -1.330
  518   2HA   GLY  70           HA1      GLY  70  63.699  12.501  -2.157
  519    H    THR  71           HN       THR  71  66.377  10.708  -3.649
  520    HA   THR  71           HA       THR  71  64.489   8.494  -4.320
  521    HB   THR  71           HB       THR  71  65.226   8.704  -6.695
  522    HG1  THR  71           HG1      THR  71  67.027   9.776  -6.859
  523   1HG2  THR  71          HG22      THR  71  63.214   9.951  -5.643
  524   2HG2  THR  71          HG21      THR  71  64.224  11.392  -5.772
  525   3HG2  THR  71          HG23      THR  71  63.783  10.491  -7.223
  526    H    VAL  72           HN       VAL  72  65.513   6.536  -4.094
  527    HA   VAL  72           HA       VAL  72  68.496   6.545  -3.851
  528    HB   VAL  72           HB       VAL  72  67.886   4.261  -2.713
  529   1HG1  VAL  72          HG11      VAL  72  67.513   7.044  -1.673
  530   2HG1  VAL  72          HG13      VAL  72  67.172   5.673  -0.617
  531   3HG1  VAL  72          HG12      VAL  72  68.783   5.872  -1.308
  532   1HG2  VAL  72          HG23      VAL  72  65.414   4.698  -3.587
  533   2HG2  VAL  72          HG22      VAL  72  65.695   3.923  -2.029
  534   3HG2  VAL  72          HG21      VAL  72  65.297   5.639  -2.101
  535    H    ASP  73           HN       ASP  73  69.679   4.827  -4.844
  536    HA   ASP  73           HA       ASP  73  68.275   3.561  -7.168
  537   1HB   ASP  73           HB2      ASP  73  71.213   4.150  -6.652
  538   2HB   ASP  73           HB1      ASP  73  70.536   3.529  -8.158
  539    H    PHE  74           HN       PHE  74  69.570   1.388  -7.753
  540    HA   PHE  74           HA       PHE  74  69.121  -0.493  -5.668
  541   1HB   PHE  74           HB2      PHE  74  69.292  -0.860  -8.170
  542   2HB   PHE  74           HB1      PHE  74  71.042  -0.716  -8.008
  543    HD1  PHE  74           HD1      PHE  74  68.484  -2.351  -5.811
  544    HD2  PHE  74           HD2      PHE  74  71.959  -2.853  -8.285
  545    HE1  PHE  74           HE1      PHE  74  68.619  -4.734  -5.137
  546    HE2  PHE  74           HE2      PHE  74  72.095  -5.236  -7.610
  547    HZ   PHE  74           HZ       PHE  74  70.425  -6.177  -6.036
  548    H    ASP  75           HN       ASP  75  71.726   1.696  -6.154
  549    HA   ASP  75           HA       ASP  75  73.707   0.103  -4.656
  550   1HB   ASP  75           HB2      ASP  75  74.392   1.515  -6.524
  551   2HB   ASP  75           HB1      ASP  75  73.646   2.925  -5.772
  552    H    GLU  76           HN       GLU  76  71.631   2.958  -4.126
  553    HA   GLU  76           HA       GLU  76  72.679   3.396  -1.417
  554   1HB   GLU  76           HB2      GLU  76  70.253   4.543  -2.832
  555   2HB   GLU  76           HB1      GLU  76  71.092   5.241  -1.447
  556   1HG   GLU  76           HG2      GLU  76  72.175   4.892  -4.255
  557   2HG   GLU  76           HG1      GLU  76  71.857   6.410  -3.414
  558    H    PHE  77           HN       PHE  77  69.527   2.390  -2.809
  559    HA   PHE  77           HA       PHE  77  68.047   1.937  -0.507
  560   1HB   PHE  77           HB2      PHE  77  67.114   1.602  -2.690
  561   2HB   PHE  77           HB1      PHE  77  68.313   0.371  -3.085
  562    HD1  PHE  77           HD2      PHE  77  66.017   0.976  -0.173
  563    HD2  PHE  77           HD1      PHE  77  67.380  -1.756  -3.194
  564    HE1  PHE  77           HE2      PHE  77  64.519  -0.778   0.737
  565    HE2  PHE  77           HE1      PHE  77  65.882  -3.510  -2.284
  566    HZ   PHE  77           HZ       PHE  77  64.451  -3.021  -0.318
  567    H    LEU  78           HN       LEU  78  70.367  -0.373  -1.976
  568    HA   LEU  78           HA       LEU  78  70.046  -2.395   0.035
  569   1HB   LEU  78           HB2      LEU  78  71.054  -3.222  -1.857
  570   2HB   LEU  78           HB1      LEU  78  71.846  -1.691  -2.221
  571    HG   LEU  78           HG       LEU  78  73.529  -2.114  -0.512
  572   1HD1  LEU  78          HD11      LEU  78  71.731  -3.542   0.816
  573   2HD1  LEU  78          HD13      LEU  78  72.471  -4.881  -0.062
  574   3HD1  LEU  78          HD12      LEU  78  73.453  -3.874   1.003
  575   1HD2  LEU  78          HD21      LEU  78  73.533  -3.234  -2.899
  576   2HD2  LEU  78          HD23      LEU  78  74.746  -3.709  -1.711
  577   3HD2  LEU  78          HD22      LEU  78  73.332  -4.727  -1.982
  578    H    VAL  79           HN       VAL  79  72.403   0.272  -0.345
  579    HA   VAL  79           HA       VAL  79  74.084  -0.241   1.849
  580    HB   VAL  79           HB       VAL  79  72.996   2.352   0.706
  581   1HG1  VAL  79          HG13      VAL  79  73.948   2.664   2.978
  582   2HG1  VAL  79          HG12      VAL  79  75.439   1.888   2.446
  583   3HG1  VAL  79          HG11      VAL  79  74.946   3.427   1.741
  584   1HG2  VAL  79          HG21      VAL  79  74.425   0.522  -0.613
  585   2HG2  VAL  79          HG23      VAL  79  74.722   2.247  -0.831
  586   3HG2  VAL  79          HG22      VAL  79  75.758   1.303   0.240
  587    H    MET  80           HN       MET  80  71.046   1.646   1.800
  588    HA   MET  80           HA       MET  80  70.931   2.331   4.544
  589   1HB   MET  80           HB2      MET  80  69.120   2.059   2.225
  590   2HB   MET  80           HB1      MET  80  68.315   1.950   3.790
  591   1HG   MET  80           HG2      MET  80  69.690   4.058   4.411
  592   2HG   MET  80           HG1      MET  80  69.949   4.223   2.675
  593   1HE   MET  80           HE3      MET  80  68.913   5.253   1.343
  594   2HE   MET  80           HE2      MET  80  67.399   4.483   0.877
  595   3HE   MET  80           HE1      MET  80  67.388   6.140   1.475
  596    H    MET  81           HN       MET  81  69.886  -0.628   2.866
  597    HA   MET  81           HA       MET  81  68.770  -1.847   5.278
  598   1HB   MET  81           HB2      MET  81  69.554  -3.008   2.584
  599   2HB   MET  81           HB1      MET  81  68.472  -3.756   3.759
  600   1HG   MET  81           HG2      MET  81  67.302  -1.311   3.491
  601   2HG   MET  81           HG1      MET  81  67.962  -1.535   1.872
  602   1HE   MET  81           HE1      MET  81  66.063  -2.857   4.742
  603   2HE   MET  81           HE3      MET  81  64.912  -4.053   4.128
  604   3HE   MET  81           HE2      MET  81  66.602  -4.491   4.364
  605    H    VAL  82           HN       VAL  82  71.811  -2.098   3.436
  606    HA   VAL  82           HA       VAL  82  72.903  -4.324   4.881
  607    HB   VAL  82           HB       VAL  82  73.542  -2.981   2.653
  608   1HG1  VAL  82          HG12      VAL  82  74.303  -1.063   4.348
  609   2HG1  VAL  82          HG11      VAL  82  75.784  -2.017   4.377
  610   3HG1  VAL  82          HG13      VAL  82  75.184  -1.368   2.852
  611   1HG2  VAL  82          HG23      VAL  82  74.551  -5.122   3.965
  612   2HG2  VAL  82          HG22      VAL  82  75.268  -4.476   2.488
  613   3HG2  VAL  82          HG21      VAL  82  75.936  -4.034   4.060
  614    H    ARG  83           HN       ARG  83  72.348  -1.069   5.805
  615    HA   ARG  83           HA       ARG  83  74.441  -1.122   7.924
  616   1HB   ARG  83           HB2      ARG  83  74.155   0.869   6.485
  617   2HB   ARG  83           HB1      ARG  83  72.473   1.001   7.003
  618   1HG   ARG  83           HG2      ARG  83  73.053   2.023   8.931
  619   2HG   ARG  83           HG1      ARG  83  74.296   0.818   9.273
  620   1HD   ARG  83           HD2      ARG  83  75.938   2.213   8.561
  621   2HD   ARG  83           HD1      ARG  83  75.070   2.550   7.050
  622    HE   ARG  83           HE       ARG  83  74.228   3.864   9.600
  623   1HH1  ARG  83          HH11      ARG  83  73.013   4.225   6.765
  624   2HH1  ARG  83          HH12      ARG  83  73.669   5.773   6.348
  625   1HH2  ARG  83          HH21      ARG  83  76.042   5.745   8.875
  626   2HH2  ARG  83          HH22      ARG  83  75.382   6.634   7.543
  627    H    CYS  84           HN       CYS  84  70.917  -1.056   7.487
  628    HA   CYS  84           HA       CYS  84  70.450  -1.023  10.408
  629   1HB   CYS  84           HB2      CYS  84  69.081  -0.307   8.006
  630   2HB   CYS  84           HB1      CYS  84  68.112  -1.531   8.825
  631    HG   CYS  84           HG       CYS  84  68.441   1.320   9.755
  632    H    MET  85           HN       MET  85  71.536  -3.367   8.482
  633    HA   MET  85           HA       MET  85  69.680  -5.537   8.746
  634   1HB   MET  85           HB2      MET  85  72.529  -5.069   8.080
  635   2HB   MET  85           HB1      MET  85  72.154  -6.694   8.653
  636   1HG   MET  85           HG2      MET  85  70.121  -5.833   6.798
  637   2HG   MET  85           HG1      MET  85  71.713  -5.649   6.061
  638   1HE   MET  85           HE2      MET  85  69.856  -7.371   4.708
  639   2HE   MET  85           HE1      MET  85  71.550  -7.507   4.243
  640   3HE   MET  85           HE3      MET  85  70.584  -8.965   4.514
  641    H    LYS  86           HN       LYS  86  68.933  -6.134  10.763
  642    HA   LYS  86           HA       LYS  86  68.982  -6.851  13.015
  643   1HB   LYS  86           HB2      LYS  86  71.066  -8.032  11.515
  644   2HB   LYS  86           HB1      LYS  86  71.784  -7.580  13.062
  645   1HG   LYS  86           HG2      LYS  86  70.908  -9.729  13.477
  646   2HG   LYS  86           HG1      LYS  86  69.665  -8.651  14.113
  647   1HD   LYS  86           HD2      LYS  86  69.168  -9.051  11.321
  648   2HD   LYS  86           HD1      LYS  86  69.387 -10.628  12.081
  649   1HE   LYS  86           HE2      LYS  86  67.814  -9.197  13.909
  650   2HE   LYS  86           HE1      LYS  86  67.142  -8.792  12.317
  651   1HZ   LYS  86           HZ1      LYS  86  67.594 -11.342  11.929
  652   2HZ   LYS  86           HZ3      LYS  86  67.398 -11.404  13.613
  653   3HZ   LYS  86           HZ2      LYS  86  66.146 -10.800  12.635
  654    H    ASP  87           HN       ASP  87  70.486  -6.586  15.109
  655    HA   ASP  87           HA       ASP  87  71.408  -3.736  15.125
  656   1HB   ASP  87           HB2      ASP  87  69.428  -4.813  16.529
  657   2HB   ASP  87           HB1      ASP  87  70.748  -5.338  17.574
  658    H    ASP  88           HN       ASP  88  73.111  -3.410  16.989
  659    HA   ASP  88           HA       ASP  88  75.523  -4.721  16.347
  660   1HB   ASP  88           HB2      ASP  88  74.721  -2.629  17.894
  661   2HB   ASP  88           HB1      ASP  88  75.147  -3.801  19.142
  662    H    SER  89           HN       SER  89  76.181  -6.792  16.748
  663    HA   SER  89           HA       SER  89  74.657  -8.479  18.638
  664   1HB   SER  89           HB2      SER  89  76.297  -8.755  16.260
  665   2HB   SER  89           HB1      SER  89  76.831  -9.874  17.511
  666    HG   SER  89           HG       SER  89  75.195 -10.991  16.752
   
  No H/Q in entry =         666
  Start of MODEL   15
    1   1H    MET   1           HT1      MET   1  91.016   2.461  -1.347
    2   2H    MET   1           HT3      MET   1  89.938   1.466  -2.200
    3   3H    MET   1           HT2      MET   1  91.334   2.059  -2.967
    4    HA   MET   1           HA       MET   1  90.475   4.150  -3.268
    5   1HB   MET   1           HB2      MET   1  87.980   2.446  -3.059
    6   2HB   MET   1           HB1      MET   1  88.291   3.761  -4.193
    7   1HG   MET   1           HG2      MET   1  90.336   2.278  -4.916
    8   2HG   MET   1           HG1      MET   1  89.409   0.973  -4.176
    9   1HE   MET   1           HE1      MET   1  90.189   0.461  -6.627
   10   2HE   MET   1           HE3      MET   1  88.690  -0.475  -6.544
   11   3HE   MET   1           HE2      MET   1  89.040   0.512  -7.961
   12    H    ASP   2           HN       ASP   2  87.589   4.690  -2.554
   13    HA   ASP   2           HA       ASP   2  88.021   5.448   0.319
   14   1HB   ASP   2           HB2      ASP   2  86.549   6.880  -1.920
   15   2HB   ASP   2           HB1      ASP   2  86.711   7.473  -0.266
   16    H    ASP   3           HN       ASP   3  85.806   5.904   1.409
   17    HA   ASP   3           HA       ASP   3  83.646   5.156   2.027
   18   1HB   ASP   3           HB2      ASP   3  83.628   5.533  -0.669
   19   2HB   ASP   3           HB1      ASP   3  83.242   3.813  -0.590
   20    H    ILE   4           HN       ILE   4  83.170   3.341   3.228
   21    HA   ILE   4           HA       ILE   4  84.630   0.817   2.555
   22    HB   ILE   4           HB       ILE   4  84.515   0.379   4.917
   23   1HG1  ILE   4          HG12      ILE   4  82.505   2.649   4.947
   24   2HG1  ILE   4          HG11      ILE   4  82.212   0.959   5.359
   25   1HG2  ILE   4          HG22      ILE   4  86.013   2.306   4.018
   26   2HG2  ILE   4          HG21      ILE   4  84.861   3.372   4.823
   27   3HG2  ILE   4          HG23      ILE   4  85.770   2.186   5.761
   28   1HD1  ILE   4          HD13      ILE   4  84.072   2.825   6.862
   29   2HD1  ILE   4          HD12      ILE   4  82.457   2.355   7.390
   30   3HD1  ILE   4          HD11      ILE   4  83.735   1.145   7.280
   31    H    TYR   5           HN       TYR   5  81.437   2.190   3.168
   32    HA   TYR   5           HA       TYR   5  79.907  -0.154   3.558
   33   1HB   TYR   5           HB2      TYR   5  79.252   2.373   2.003
   34   2HB   TYR   5           HB1      TYR   5  78.068   1.251   2.676
   35    HD1  TYR   5           HD1      TYR   5  77.946   0.916   5.165
   36    HD2  TYR   5           HD2      TYR   5  80.334   4.003   3.373
   37    HE1  TYR   5           HE1      TYR   5  78.074   2.084   7.349
   38    HE2  TYR   5           HE2      TYR   5  80.463   5.173   5.556
   39    HH   TYR   5           HH       TYR   5  78.930   3.796   8.468
   40    H    LYS   6           HN       LYS   6  81.350   1.152   0.626
   41    HA   LYS   6           HA       LYS   6  79.955  -0.038  -1.448
   42   1HB   LYS   6           HB2      LYS   6  82.306   1.254  -1.153
   43   2HB   LYS   6           HB1      LYS   6  82.917  -0.379  -1.431
   44   1HG   LYS   6           HG2      LYS   6  82.675   0.116  -3.633
   45   2HG   LYS   6           HG1      LYS   6  80.957  -0.169  -3.350
   46   1HD   LYS   6           HD2      LYS   6  80.995   2.355  -2.555
   47   2HD   LYS   6           HD1      LYS   6  82.433   2.429  -3.577
   48   1HE   LYS   6           HE2      LYS   6  81.202   2.314  -5.490
   49   2HE   LYS   6           HE1      LYS   6  80.161   1.032  -4.838
   50   1HZ   LYS   6           HZ1      LYS   6  80.024   3.812  -3.834
   51   2HZ   LYS   6           HZ3      LYS   6  79.106   3.312  -5.168
   52   3HZ   LYS   6           HZ2      LYS   6  78.880   2.568  -3.657
   53    H    ALA   7           HN       ALA   7  82.142  -1.634   0.847
   54    HA   ALA   7           HA       ALA   7  82.206  -4.196  -0.479
   55   1HB   ALA   7           HB1      ALA   7  83.173  -2.890   1.913
   56   2HB   ALA   7           HB3      ALA   7  82.563  -4.496   2.312
   57   3HB   ALA   7           HB2      ALA   7  83.824  -4.309   1.093
   58    H    ALA   8           HN       ALA   8  79.897  -2.632   1.631
   59    HA   ALA   8           HA       ALA   8  78.538  -4.804   2.794
   60   1HB   ALA   8           HB2      ALA   8  77.482  -2.217   1.603
   61   2HB   ALA   8           HB1      ALA   8  76.602  -3.228   2.750
   62   3HB   ALA   8           HB3      ALA   8  78.096  -2.430   3.242
   63    H    VAL   9           HN       VAL   9  77.850  -3.274  -0.380
   64    HA   VAL   9           HA       VAL   9  75.846  -5.186  -1.161
   65    HB   VAL   9           HB       VAL   9  77.672  -3.350  -2.748
   66   1HG1  VAL   9          HG13      VAL   9  75.864  -5.359  -3.633
   67   2HG1  VAL   9          HG12      VAL   9  75.094  -3.800  -3.935
   68   3HG1  VAL   9          HG11      VAL   9  76.687  -4.143  -4.609
   69   1HG2  VAL   9          HG22      VAL   9  75.337  -2.932  -1.040
   70   2HG2  VAL   9          HG21      VAL   9  76.446  -1.746  -1.726
   71   3HG2  VAL   9          HG23      VAL   9  75.078  -2.326  -2.675
   72    H    GLU  10           HN       GLU  10  79.344  -4.940  -1.814
   73    HA   GLU  10           HA       GLU  10  79.520  -7.197  -3.580
   74   1HB   GLU  10           HB2      GLU  10  81.466  -5.787  -1.731
   75   2HB   GLU  10           HB1      GLU  10  81.961  -7.031  -2.879
   76   1HG   GLU  10           HG2      GLU  10  80.580  -4.418  -3.560
   77   2HG   GLU  10           HG1      GLU  10  82.267  -4.821  -3.884
   78    H    GLN  11           HN       GLN  11  79.738  -6.877  -0.047
   79    HA   GLN  11           HA       GLN  11  80.701  -9.456   0.613
   80   1HB   GLN  11           HB2      GLN  11  79.381  -7.189   1.848
   81   2HB   GLN  11           HB1      GLN  11  78.768  -8.698   2.526
   82   1HG   GLN  11           HG2      GLN  11  81.158  -9.436   2.842
   83   2HG   GLN  11           HG1      GLN  11  81.662  -7.815   2.364
   84   1HE2  GLN  11          HE22      GLN  11  80.093  -8.433   6.077
   85   2HE2  GLN  11          HE21      GLN  11  80.123  -9.687   4.933
   86    H    LEU  12           HN       LEU  12  77.651  -8.501  -0.727
   87    HA   LEU  12           HA       LEU  12  76.193 -10.893   0.169
   88   1HB   LEU  12           HB2      LEU  12  75.537  -8.796  -1.926
   89   2HB   LEU  12           HB1      LEU  12  74.394  -9.886  -1.142
   90    HG   LEU  12           HG       LEU  12  76.107  -8.068   0.530
   91   1HD1  LEU  12          HD11      LEU  12  74.799  -6.848  -1.385
   92   2HD1  LEU  12          HD13      LEU  12  73.377  -7.228  -0.415
   93   3HD1  LEU  12          HD12      LEU  12  74.668  -6.238   0.264
   94   1HD2  LEU  12          HD23      LEU  12  73.318  -9.231   0.830
   95   2HD2  LEU  12          HD22      LEU  12  74.777  -9.839   1.614
   96   3HD2  LEU  12          HD21      LEU  12  74.148  -8.246   2.035
   97    H    THR  13           HN       THR  13  74.890 -11.823  -2.006
   98    HA   THR  13           HA       THR  13  76.988 -12.538  -4.022
   99    HB   THR  13           HB       THR  13  75.855 -14.888  -3.812
  100    HG1  THR  13           HG1      THR  13  75.379 -14.015  -1.191
  101   1HG2  THR  13          HG22      THR  13  77.845 -13.559  -2.042
  102   2HG2  THR  13          HG21      THR  13  77.265 -15.147  -1.541
  103   3HG2  THR  13          HG23      THR  13  78.041 -14.947  -3.112
  104    H    GLU  14           HN       GLU  14  75.804 -13.794  -5.901
  105    HA   GLU  14           HA       GLU  14  73.777 -12.053  -6.984
  106   1HB   GLU  14           HB2      GLU  14  73.902 -13.561  -8.865
  107   2HB   GLU  14           HB1      GLU  14  75.529 -13.438  -8.196
  108   1HG   GLU  14           HG2      GLU  14  74.233 -15.519  -6.775
  109   2HG   GLU  14           HG1      GLU  14  73.879 -15.780  -8.483
  110    H    GLU  15           HN       GLU  15  73.631 -14.849  -4.943
  111    HA   GLU  15           HA       GLU  15  71.000 -15.787  -5.679
  112   1HB   GLU  15           HB2      GLU  15  73.119 -16.441  -3.921
  113   2HB   GLU  15           HB1      GLU  15  71.697 -16.211  -2.902
  114   1HG   GLU  15           HG2      GLU  15  71.675 -17.914  -5.405
  115   2HG   GLU  15           HG1      GLU  15  71.999 -18.567  -3.799
  116    H    GLN  16           HN       GLN  16  72.143 -13.715  -2.987
  117    HA   GLN  16           HA       GLN  16  69.374 -13.017  -2.261
  118   1HB   GLN  16           HB2      GLN  16  70.548 -11.703  -0.500
  119   2HB   GLN  16           HB1      GLN  16  71.109 -13.372  -0.559
  120   1HG   GLN  16           HG2      GLN  16  72.788 -12.109  -2.356
  121   2HG   GLN  16           HG1      GLN  16  72.577 -10.894  -1.095
  122   1HE2  GLN  16          HE22      GLN  16  74.924 -12.557   0.923
  123   2HE2  GLN  16          HE21      GLN  16  74.336 -11.091   0.302
  124    H    LYS  17           HN       LYS  17  71.985 -11.692  -4.168
  125    HA   LYS  17           HA       LYS  17  71.198  -8.933  -4.176
  126   1HB   LYS  17           HB2      LYS  17  73.372  -9.865  -4.944
  127   2HB   LYS  17           HB1      LYS  17  72.548 -10.630  -6.303
  128   1HG   LYS  17           HG2      LYS  17  72.849  -8.725  -7.465
  129   2HG   LYS  17           HG1      LYS  17  71.724  -7.940  -6.354
  130   1HD   LYS  17           HD2      LYS  17  73.450  -6.628  -5.724
  131   2HD   LYS  17           HD1      LYS  17  74.116  -8.052  -4.923
  132   1HE   LYS  17           HE2      LYS  17  74.896  -8.508  -7.509
  133   2HE   LYS  17           HE1      LYS  17  74.984  -6.737  -7.424
  134   1HZ   LYS  17           HZ2      LYS  17  76.140  -8.616  -5.430
  135   2HZ   LYS  17           HZ1      LYS  17  77.028  -7.765  -6.600
  136   3HZ   LYS  17           HZ3      LYS  17  76.228  -6.920  -5.367
  137    H    ASN  18           HN       ASN  18  69.981 -11.769  -5.843
  138    HA   ASN  18           HA       ASN  18  68.469 -10.258  -7.850
  139   1HB   ASN  18           HB2      ASN  18  68.798 -13.109  -6.957
  140   2HB   ASN  18           HB1      ASN  18  67.462 -12.692  -8.031
  141   1HD2  ASN  18          HD22      ASN  18  70.733 -13.463  -9.907
  142   2HD2  ASN  18          HD21      ASN  18  70.035 -14.251  -8.576
  143    H    GLU  19           HN       GLU  19  67.935 -11.501  -4.620
  144    HA   GLU  19           HA       GLU  19  65.065 -11.556  -4.623
  145   1HB   GLU  19           HB2      GLU  19  66.898 -12.441  -2.968
  146   2HB   GLU  19           HB1      GLU  19  66.768 -10.839  -2.245
  147   1HG   GLU  19           HG2      GLU  19  64.171 -11.356  -2.364
  148   2HG   GLU  19           HG1      GLU  19  64.731 -13.029  -2.374
  149    H    PHE  20           HN       PHE  20  67.365  -9.037  -3.517
  150    HA   PHE  20           HA       PHE  20  65.378  -7.089  -2.833
  151   1HB   PHE  20           HB2      PHE  20  68.313  -7.166  -3.434
  152   2HB   PHE  20           HB1      PHE  20  67.523  -5.593  -3.316
  153    HD1  PHE  20           HD1      PHE  20  65.518  -5.923  -1.264
  154    HD2  PHE  20           HD2      PHE  20  69.489  -7.553  -1.448
  155    HE1  PHE  20           HE1      PHE  20  65.568  -6.081   1.210
  156    HE2  PHE  20           HE2      PHE  20  69.538  -7.712   1.026
  157    HZ   PHE  20           HZ       PHE  20  67.578  -6.977   2.355
  158    H    LYS  21           HN       LYS  21  67.112  -7.780  -5.858
  159    HA   LYS  21           HA       LYS  21  66.374  -5.488  -7.355
  160   1HB   LYS  21           HB2      LYS  21  68.013  -7.075  -8.136
  161   2HB   LYS  21           HB1      LYS  21  66.843  -8.394  -8.081
  162   1HG   LYS  21           HG2      LYS  21  65.514  -7.295  -9.847
  163   2HG   LYS  21           HG1      LYS  21  66.684  -5.977  -9.906
  164   1HD   LYS  21           HD2      LYS  21  68.382  -7.359 -10.788
  165   2HD   LYS  21           HD1      LYS  21  67.553  -8.838 -10.297
  166   1HE   LYS  21           HE2      LYS  21  65.896  -8.597 -12.010
  167   2HE   LYS  21           HE1      LYS  21  66.394  -6.928 -12.350
  168   1HZ   LYS  21           HZ3      LYS  21  68.397  -9.072 -12.485
  169   2HZ   LYS  21           HZ2      LYS  21  67.324  -8.878 -13.788
  170   3HZ   LYS  21           HZ1      LYS  21  68.342  -7.600 -13.325
  171    H    ALA  22           HN       ALA  22  64.637  -8.574  -6.882
  172    HA   ALA  22           HA       ALA  22  62.404  -7.833  -8.591
  173   1HB   ALA  22           HB2      ALA  22  63.325 -10.147  -7.865
  174   2HB   ALA  22           HB1      ALA  22  62.406  -9.891  -6.382
  175   3HB   ALA  22           HB3      ALA  22  61.574  -9.955  -7.936
  176    H    ALA  23           HN       ALA  23  63.344  -6.666  -5.607
  177    HA   ALA  23           HA       ALA  23  60.508  -6.171  -4.755
  178   1HB   ALA  23           HB3      ALA  23  63.129  -6.420  -3.258
  179   2HB   ALA  23           HB2      ALA  23  61.659  -5.810  -2.499
  180   3HB   ALA  23           HB1      ALA  23  61.711  -7.459  -3.124
  181    H    PHE  24           HN       PHE  24  63.316  -4.725  -6.025
  182    HA   PHE  24           HA       PHE  24  62.750  -2.055  -4.855
  183   1HB   PHE  24           HB2      PHE  24  65.051  -2.944  -4.987
  184   2HB   PHE  24           HB1      PHE  24  64.892  -3.096  -6.738
  185    HD1  PHE  24           HD1      PHE  24  64.243  -0.940  -8.044
  186    HD2  PHE  24           HD2      PHE  24  65.843  -0.944  -4.059
  187    HE1  PHE  24           HE1      PHE  24  64.926   1.431  -8.316
  188    HE2  PHE  24           HE2      PHE  24  66.527   1.426  -4.330
  189    HZ   PHE  24           HZ       PHE  24  66.068   2.612  -6.458
  190    H    ASP  25           HN       ASP  25  63.153  -3.505  -8.115
  191    HA   ASP  25           HA       ASP  25  62.338  -1.279  -9.652
  192   1HB   ASP  25           HB2      ASP  25  62.136  -4.277  -9.987
  193   2HB   ASP  25           HB1      ASP  25  61.639  -3.171 -11.268
  194    H    ILE  26           HN       ILE  26  60.464  -3.279  -7.546
  195    HA   ILE  26           HA       ILE  26  57.884  -2.853  -8.845
  196    HB   ILE  26           HB       ILE  26  58.626  -3.693  -6.027
  197   1HG1  ILE  26          HG12      ILE  26  58.370  -5.195  -8.639
  198   2HG1  ILE  26          HG11      ILE  26  59.708  -5.221  -7.490
  199   1HG2  ILE  26          HG23      ILE  26  56.130  -3.093  -7.166
  200   2HG2  ILE  26          HG22      ILE  26  56.231  -4.854  -7.200
  201   3HG2  ILE  26          HG21      ILE  26  56.415  -3.990  -5.674
  202   1HD1  ILE  26          HD13      ILE  26  58.236  -6.320  -5.824
  203   2HD1  ILE  26          HD12      ILE  26  56.931  -6.335  -7.011
  204   3HD1  ILE  26          HD11      ILE  26  58.392  -7.281  -7.294
  205    H    PHE  27           HN       PHE  27  59.900  -0.699  -7.377
  206    HA   PHE  27           HA       PHE  27  57.620   1.053  -6.591
  207   1HB   PHE  27           HB2      PHE  27  59.850  -0.014  -4.896
  208   2HB   PHE  27           HB1      PHE  27  59.259   1.617  -4.574
  209    HD1  PHE  27           HD1      PHE  27  58.211  -1.942  -4.892
  210    HD2  PHE  27           HD2      PHE  27  57.172   1.983  -3.491
  211    HE1  PHE  27           HE1      PHE  27  56.255  -2.887  -3.697
  212    HE2  PHE  27           HE2      PHE  27  55.215   1.039  -2.296
  213    HZ   PHE  27           HZ       PHE  27  54.756  -1.396  -2.398
  214    H    VAL  28           HN       VAL  28  59.439   1.080  -8.899
  215    HA   VAL  28           HA       VAL  28  61.349   3.277  -8.364
  216    HB   VAL  28           HB       VAL  28  60.575   1.664 -10.811
  217   1HG1  VAL  28          HG11      VAL  28  62.491   3.937 -10.406
  218   2HG1  VAL  28          HG13      VAL  28  62.888   2.667 -11.563
  219   3HG1  VAL  28          HG12      VAL  28  61.416   3.616 -11.766
  220   1HG2  VAL  28          HG23      VAL  28  61.787   0.530  -8.877
  221   2HG2  VAL  28          HG22      VAL  28  62.620   0.467 -10.431
  222   3HG2  VAL  28          HG21      VAL  28  63.137   1.618  -9.199
  223    H    LEU  29           HN       LEU  29  58.377   3.673  -8.167
  224    HA   LEU  29           HA       LEU  29  56.996   4.895 -10.162
  225   1HB   LEU  29           HB2      LEU  29  57.412   5.366  -7.277
  226   2HB   LEU  29           HB1      LEU  29  56.713   6.734  -8.144
  227    HG   LEU  29           HG       LEU  29  55.245   4.716  -9.200
  228   1HD1  LEU  29          HD12      LEU  29  56.514   3.662  -6.800
  229   2HD1  LEU  29          HD11      LEU  29  54.755   3.644  -6.663
  230   3HD1  LEU  29          HD13      LEU  29  55.543   2.822  -8.010
  231   1HD2  LEU  29          HD22      LEU  29  54.928   6.687  -7.042
  232   2HD2  LEU  29          HD21      LEU  29  53.845   6.306  -8.379
  233   3HD2  LEU  29          HD23      LEU  29  53.815   5.327  -6.913
  234    H    GLY  30           HN       GLY  30  58.107   5.951 -11.823
  235   1HA   GLY  30           HA2      GLY  30  59.034   7.843 -12.880
  236   2HA   GLY  30           HA1      GLY  30  58.957   8.683 -11.330
  237    H    ALA  31           HN       ALA  31  60.877   9.048 -10.318
  238    HA   ALA  31           HA       ALA  31  63.177   8.880  -9.806
  239   1HB   ALA  31           HB1      ALA  31  62.079   6.219 -10.220
  240   2HB   ALA  31           HB3      ALA  31  63.788   6.273 -10.653
  241   3HB   ALA  31           HB2      ALA  31  63.272   6.754  -9.037
  242    H    GLU  32           HN       GLU  32  65.239   8.980 -10.895
  243    HA   GLU  32           HA       GLU  32  65.133   9.740 -13.670
  244   1HB   GLU  32           HB2      GLU  32  67.290   9.168 -11.637
  245   2HB   GLU  32           HB1      GLU  32  67.697   9.621 -13.292
  246   1HG   GLU  32           HG2      GLU  32  66.474  11.707 -13.082
  247   2HG   GLU  32           HG1      GLU  32  65.877  11.240 -11.489
  248    H    ASP  33           HN       ASP  33  66.412   6.824 -12.022
  249    HA   ASP  33           HA       ASP  33  65.863   5.190 -14.396
  250   1HB   ASP  33           HB2      ASP  33  67.959   6.416 -14.948
  251   2HB   ASP  33           HB1      ASP  33  68.712   5.738 -13.505
  252    H    GLY  34           HN       GLY  34  64.824   3.641 -13.130
  253   1HA   GLY  34           HA2      GLY  34  64.578   1.892 -11.587
  254   2HA   GLY  34           HA1      GLY  34  66.319   1.670 -11.770
  255    H    CYS  35           HN       CYS  35  64.409   4.351 -10.371
  256    HA   CYS  35           HA       CYS  35  65.893   3.907  -7.799
  257   1HB   CYS  35           HB2      CYS  35  65.132   6.518  -9.154
  258   2HB   CYS  35           HB1      CYS  35  66.012   6.368  -7.634
  259    HG   CYS  35           HG       CYS  35  67.203   5.252 -10.306
  260    H    ILE  36           HN       ILE  36  64.636   4.292  -5.893
  261    HA   ILE  36           HA       ILE  36  61.689   4.477  -6.399
  262    HB   ILE  36           HB       ILE  36  61.508   3.267  -4.279
  263   1HG1  ILE  36          HG12      ILE  36  64.526   3.245  -4.141
  264   2HG1  ILE  36          HG11      ILE  36  63.573   4.487  -3.327
  265   1HG2  ILE  36          HG21      ILE  36  63.087   2.323  -6.553
  266   2HG2  ILE  36          HG23      ILE  36  63.449   1.443  -5.068
  267   3HG2  ILE  36          HG22      ILE  36  61.793   1.510  -5.672
  268   1HD1  ILE  36          HD12      ILE  36  63.229   1.500  -2.926
  269   2HD1  ILE  36          HD11      ILE  36  64.090   2.574  -1.823
  270   3HD1  ILE  36          HD13      ILE  36  62.356   2.773  -2.073
  271    H    SER  37           HN       SER  37  60.434   5.665  -4.718
  272    HA   SER  37           HA       SER  37  61.696   8.240  -4.091
  273   1HB   SER  37           HB2      SER  37  59.246   7.518  -4.873
  274   2HB   SER  37           HB1      SER  37  58.982   7.418  -3.135
  275    HG   SER  37           HG       SER  37  59.246   9.529  -2.962
  276    H    THR  38           HN       THR  38  62.500   8.811  -2.099
  277    HA   THR  38           HA       THR  38  63.138   7.046  -0.043
  278    HB   THR  38           HB       THR  38  62.992   9.260   1.354
  279    HG1  THR  38           HG1      THR  38  61.881  10.714   0.349
  280   1HG2  THR  38          HG22      THR  38  64.692   8.549  -0.972
  281   2HG2  THR  38          HG21      THR  38  64.817  10.211  -0.397
  282   3HG2  THR  38          HG23      THR  38  65.149   8.871   0.701
  283    H    LYS  39           HN       LYS  39  60.060   8.664  -0.637
  284    HA   LYS  39           HA       LYS  39  58.900   7.979   1.954
  285   1HB   LYS  39           HB2      LYS  39  57.791   8.935  -0.703
  286   2HB   LYS  39           HB1      LYS  39  56.821   8.783   0.761
  287   1HG   LYS  39           HG2      LYS  39  58.030  10.475   1.881
  288   2HG   LYS  39           HG1      LYS  39  59.377  10.384   0.746
  289   1HD   LYS  39           HD2      LYS  39  56.636  11.154  -0.226
  290   2HD   LYS  39           HD1      LYS  39  57.683  12.360   0.524
  291   1HE   LYS  39           HE2      LYS  39  59.499  11.616  -1.125
  292   2HE   LYS  39           HE1      LYS  39  58.212  10.747  -1.985
  293   1HZ   LYS  39           HZ2      LYS  39  57.982  13.594  -1.189
  294   2HZ   LYS  39           HZ1      LYS  39  58.569  13.114  -2.709
  295   3HZ   LYS  39           HZ3      LYS  39  56.981  12.728  -2.254
  296    H    GLU  40           HN       GLU  40  59.515   6.256  -0.930
  297    HA   GLU  40           HA       GLU  40  57.266   4.352  -0.510
  298   1HB   GLU  40           HB2      GLU  40  59.419   4.634  -2.634
  299   2HB   GLU  40           HB1      GLU  40  58.104   3.459  -2.688
  300   1HG   GLU  40           HG2      GLU  40  57.479   6.376  -2.323
  301   2HG   GLU  40           HG1      GLU  40  57.824   5.750  -3.936
  302    H    LEU  41           HN       LEU  41  60.827   4.482  -0.497
  303    HA   LEU  41           HA       LEU  41  61.580   1.839  -0.218
  304   1HB   LEU  41           HB2      LEU  41  63.101   3.761  -0.160
  305   2HB   LEU  41           HB1      LEU  41  62.459   4.248   1.408
  306    HG   LEU  41           HG       LEU  41  63.396   1.452   1.285
  307   1HD1  LEU  41          HD13      LEU  41  65.231   3.796   0.799
  308   2HD1  LEU  41          HD12      LEU  41  65.809   2.339   1.608
  309   3HD1  LEU  41          HD11      LEU  41  65.184   2.245  -0.038
  310   1HD2  LEU  41          HD23      LEU  41  63.607   3.823   3.141
  311   2HD2  LEU  41          HD22      LEU  41  62.793   2.284   3.416
  312   3HD2  LEU  41          HD21      LEU  41  64.555   2.362   3.421
  313    H    GLY  42           HN       GLY  42  59.852   3.810   2.152
  314   1HA   GLY  42           HA2      GLY  42  60.165   2.214   4.459
  315   2HA   GLY  42           HA1      GLY  42  58.724   3.175   4.113
  316    H    LYS  43           HN       LYS  43  57.624   1.988   1.943
  317    HA   LYS  43           HA       LYS  43  56.388  -0.379   3.003
  318   1HB   LYS  43           HB2      LYS  43  56.512   0.998   0.314
  319   2HB   LYS  43           HB1      LYS  43  55.566  -0.473   0.549
  320   1HG   LYS  43           HG2      LYS  43  53.926   0.657   1.604
  321   2HG   LYS  43           HG1      LYS  43  55.080   1.446   2.680
  322   1HD   LYS  43           HD2      LYS  43  55.562   3.143   1.014
  323   2HD   LYS  43           HD1      LYS  43  54.568   2.308  -0.180
  324   1HE   LYS  43           HE2      LYS  43  53.630   3.678   2.360
  325   2HE   LYS  43           HE1      LYS  43  53.179   4.064   0.687
  326   1HZ   LYS  43           HZ1      LYS  43  52.526   1.549   0.667
  327   2HZ   LYS  43           HZ3      LYS  43  52.384   1.771   2.341
  328   3HZ   LYS  43           HZ2      LYS  43  51.447   2.710   1.279
  329    H    VAL  44           HN       VAL  44  59.199   0.155   0.972
  330    HA   VAL  44           HA       VAL  44  59.396  -2.584  -0.008
  331    HB   VAL  44           HB       VAL  44  61.061  -0.078   0.029
  332   1HG1  VAL  44          HG12      VAL  44  62.604  -2.022   0.455
  333   2HG1  VAL  44          HG11      VAL  44  62.036  -2.738  -1.054
  334   3HG1  VAL  44          HG13      VAL  44  62.901  -1.201  -1.077
  335   1HG2  VAL  44          HG21      VAL  44  59.166  -1.124  -1.680
  336   2HG2  VAL  44          HG23      VAL  44  60.373   0.081  -2.129
  337   3HG2  VAL  44          HG22      VAL  44  60.675  -1.630  -2.441
  338    H    MET  45           HN       MET  45  60.692  -0.759   2.738
  339    HA   MET  45           HA       MET  45  62.643  -2.691   3.589
  340   1HB   MET  45           HB2      MET  45  61.132  -0.381   4.773
  341   2HB   MET  45           HB1      MET  45  62.100  -1.403   5.836
  342   1HG   MET  45           HG2      MET  45  63.156  -0.094   3.314
  343   2HG   MET  45           HG1      MET  45  63.364   0.568   4.934
  344   1HE   MET  45           HE3      MET  45  65.202   0.639   5.733
  345   2HE   MET  45           HE2      MET  45  66.421  -0.596   6.036
  346   3HE   MET  45           HE1      MET  45  66.395   0.244   4.487
  347    H    ARG  46           HN       ARG  46  59.207  -2.206   4.418
  348    HA   ARG  46           HA       ARG  46  59.164  -4.395   6.348
  349   1HB   ARG  46           HB2      ARG  46  56.832  -3.811   6.506
  350   2HB   ARG  46           HB1      ARG  46  57.722  -2.302   6.292
  351   1HG   ARG  46           HG2      ARG  46  56.305  -1.909   4.570
  352   2HG   ARG  46           HG1      ARG  46  57.266  -3.099   3.693
  353   1HD   ARG  46           HD2      ARG  46  55.320  -4.270   3.487
  354   2HD   ARG  46           HD1      ARG  46  55.522  -4.665   5.206
  355    HE   ARG  46           HE       ARG  46  53.980  -2.295   4.215
  356   1HH1  ARG  46          HH11      ARG  46  55.130  -2.617   7.109
  357   2HH1  ARG  46          HH12      ARG  46  53.691  -3.105   7.941
  358   1HH2  ARG  46          HH21      ARG  46  51.940  -3.834   5.037
  359   2HH2  ARG  46          HH22      ARG  46  51.886  -3.794   6.768
  360    H    MET  47           HN       MET  47  58.825  -4.113   2.909
  361    HA   MET  47           HA       MET  47  57.112  -6.281   2.283
  362   1HB   MET  47           HB2      MET  47  59.258  -4.689   1.025
  363   2HB   MET  47           HB1      MET  47  59.016  -6.280   0.304
  364   1HG   MET  47           HG2      MET  47  56.466  -5.022   0.852
  365   2HG   MET  47           HG1      MET  47  57.470  -3.972  -0.147
  366   1HE   MET  47           HE1      MET  47  57.473  -3.834  -2.069
  367   2HE   MET  47           HE3      MET  47  58.281  -5.082  -3.027
  368   3HE   MET  47           HE2      MET  47  56.563  -4.764  -3.255
  369    H    LEU  48           HN       LEU  48  60.476  -6.258   3.342
  370    HA   LEU  48           HA       LEU  48  60.607  -9.227   2.971
  371   1HB   LEU  48           HB2      LEU  48  62.636  -6.998   3.209
  372   2HB   LEU  48           HB1      LEU  48  63.103  -8.694   3.343
  373    HG   LEU  48           HG       LEU  48  61.723  -8.937   1.107
  374   1HD1  LEU  48          HD11      LEU  48  61.639  -6.126   1.569
  375   2HD1  LEU  48          HD13      LEU  48  62.673  -6.404   0.167
  376   3HD1  LEU  48          HD12      LEU  48  61.018  -7.015   0.178
  377   1HD2  LEU  48          HD22      LEU  48  64.511  -8.114   1.671
  378   2HD2  LEU  48          HD21      LEU  48  63.910  -9.485   0.738
  379   3HD2  LEU  48          HD23      LEU  48  63.988  -7.885   0.002
  380    H    GLY  49           HN       GLY  49  60.400  -6.720   5.344
  381   1HA   GLY  49           HA2      GLY  49  59.722  -7.996   7.576
  382   2HA   GLY  49           HA1      GLY  49  61.415  -8.490   7.498
  383    H    GLN  50           HN       GLN  50  62.760  -6.284   6.743
  384    HA   GLN  50           HA       GLN  50  63.177  -4.727   8.984
  385   1HB   GLN  50           HB2      GLN  50  63.368  -4.213   6.025
  386   2HB   GLN  50           HB1      GLN  50  63.809  -2.941   7.164
  387   1HG   GLN  50           HG2      GLN  50  64.931  -5.592   7.808
  388   2HG   GLN  50           HG1      GLN  50  65.522  -4.898   6.298
  389   1HE2  GLN  50          HE22      GLN  50  67.860  -3.164   8.333
  390   2HE2  GLN  50          HE21      GLN  50  67.643  -4.391   7.179
  391    H    ASN  51           HN       ASN  51  61.914  -3.303  10.113
  392    HA   ASN  51           HA       ASN  51  59.752  -1.838   8.642
  393   1HB   ASN  51           HB2      ASN  51  59.683  -3.633  11.030
  394   2HB   ASN  51           HB1      ASN  51  58.611  -2.232  11.039
  395   1HD2  ASN  51          HD22      ASN  51  56.907  -5.142   9.330
  396   2HD2  ASN  51          HD21      ASN  51  57.646  -4.966  10.848
  397    HA   PRO  52           HA       PRO  52  62.428   0.886  11.333
  398   1HB   PRO  52           HB2      PRO  52  63.258   2.575   9.348
  399   2HB   PRO  52           HB1      PRO  52  64.126   1.088   9.775
  400   1HG   PRO  52           HG2      PRO  52  62.276   1.614   7.509
  401   2HG   PRO  52           HG1      PRO  52  63.746   0.630   7.564
  402   1HD   PRO  52           HD2      PRO  52  61.206  -0.397   7.647
  403   2HD   PRO  52           HD1      PRO  52  62.634  -1.215   8.319
  404    H    THR  53           HN       THR  53  62.272   3.531  11.087
  405    HA   THR  53           HA       THR  53  59.352   4.101  10.698
  406    HB   THR  53           HB       THR  53  59.993   4.285  12.998
  407    HG1  THR  53           HG1      THR  53  60.057   6.696  13.199
  408   1HG2  THR  53          HG22      THR  53  62.472   5.452  11.816
  409   2HG2  THR  53          HG21      THR  53  61.981   6.016  13.414
  410   3HG2  THR  53          HG23      THR  53  62.293   4.303  13.142
  411    HA   PRO  54           HA       PRO  54  60.485   7.060   7.650
  412   1HB   PRO  54           HB2      PRO  54  58.377   8.791   7.874
  413   2HB   PRO  54           HB1      PRO  54  58.234   7.186   7.129
  414   1HG   PRO  54           HG2      PRO  54  57.447   8.086   9.854
  415   2HG   PRO  54           HG1      PRO  54  56.639   6.950   8.762
  416   1HD   PRO  54           HD2      PRO  54  58.160   6.184  10.901
  417   2HD   PRO  54           HD1      PRO  54  57.909   5.181   9.455
  418    H    GLU  55           HN       GLU  55  60.145   7.875  10.982
  419    HA   GLU  55           HA       GLU  55  60.855  10.695  10.771
  420   1HB   GLU  55           HB2      GLU  55  60.117   8.714  12.758
  421   2HB   GLU  55           HB1      GLU  55  61.474   9.685  13.329
  422   1HG   GLU  55           HG2      GLU  55  59.553  11.395  12.028
  423   2HG   GLU  55           HG1      GLU  55  58.741  10.425  13.258
  424    H    GLU  56           HN       GLU  56  62.624   7.667  11.371
  425    HA   GLU  56           HA       GLU  56  65.175   9.095  11.763
  426   1HB   GLU  56           HB2      GLU  56  64.001   6.487  12.241
  427   2HB   GLU  56           HB1      GLU  56  65.567   6.319  11.444
  428   1HG   GLU  56           HG2      GLU  56  66.719   7.360  13.182
  429   2HG   GLU  56           HG1      GLU  56  65.291   8.232  13.741
  430    H    LEU  57           HN       LEU  57  63.591   7.109   9.275
  431    HA   LEU  57           HA       LEU  57  65.722   6.673   7.496
  432   1HB   LEU  57           HB2      LEU  57  62.761   7.098   7.287
  433   2HB   LEU  57           HB1      LEU  57  63.702   6.989   5.798
  434    HG   LEU  57           HG       LEU  57  64.298   4.936   7.855
  435   1HD1  LEU  57          HD12      LEU  57  61.599   5.480   7.159
  436   2HD1  LEU  57          HD11      LEU  57  62.067   4.021   6.287
  437   3HD1  LEU  57          HD13      LEU  57  62.223   4.086   8.042
  438   1HD2  LEU  57          HD21      LEU  57  64.433   5.350   4.961
  439   2HD2  LEU  57          HD23      LEU  57  65.361   4.247   5.977
  440   3HD2  LEU  57          HD22      LEU  57  63.772   3.770   5.382
  441    H    GLN  58           HN       GLN  58  64.002   9.649   8.206
  442    HA   GLN  58           HA       GLN  58  64.842  11.106   5.842
  443   1HB   GLN  58           HB2      GLN  58  63.919  11.964   8.605
  444   2HB   GLN  58           HB1      GLN  58  64.039  13.037   7.210
  445   1HG   GLN  58           HG2      GLN  58  62.503  10.520   6.819
  446   2HG   GLN  58           HG1      GLN  58  61.761  11.746   7.849
  447   1HE2  GLN  58          HE22      GLN  58  61.483  12.243   3.931
  448   2HE2  GLN  58          HE21      GLN  58  61.754  10.759   4.710
  449    H    GLU  59           HN       GLU  59  66.057  10.913   9.199
  450    HA   GLU  59           HA       GLU  59  68.148  12.828   8.983
  451   1HB   GLU  59           HB2      GLU  59  67.274  11.775  11.059
  452   2HB   GLU  59           HB1      GLU  59  68.010  10.246  10.576
  453   1HG   GLU  59           HG2      GLU  59  70.191  11.744  10.374
  454   2HG   GLU  59           HG1      GLU  59  69.321  12.767  11.519
  455    H    MET  60           HN       MET  60  67.847   9.656   7.617
  456    HA   MET  60           HA       MET  60  70.775   9.421   7.148
  457   1HB   MET  60           HB2      MET  60  68.430   7.683   7.346
  458   2HB   MET  60           HB1      MET  60  69.434   7.291   5.949
  459   1HG   MET  60           HG2      MET  60  71.224   6.651   7.239
  460   2HG   MET  60           HG1      MET  60  70.854   7.813   8.512
  461   1HE   MET  60           HE3      MET  60  70.541   4.782   6.816
  462   2HE   MET  60           HE2      MET  60  70.404   3.617   8.131
  463   3HE   MET  60           HE1      MET  60  68.967   4.083   7.223
  464    H    ILE  61           HN       ILE  61  67.767   9.196   5.198
  465    HA   ILE  61           HA       ILE  61  68.854   9.230   2.628
  466    HB   ILE  61           HB       ILE  61  66.380  10.456   3.858
  467   1HG1  ILE  61          HG12      ILE  61  66.573   8.172   1.898
  468   2HG1  ILE  61          HG11      ILE  61  66.854   7.909   3.619
  469   1HG2  ILE  61          HG22      ILE  61  67.130  10.303   0.922
  470   2HG2  ILE  61          HG21      ILE  61  65.519  10.691   1.525
  471   3HG2  ILE  61          HG23      ILE  61  66.870  11.774   1.860
  472   1HD1  ILE  61          HD11      ILE  61  64.471   9.519   3.158
  473   2HD1  ILE  61          HD13      ILE  61  64.368   7.957   2.344
  474   3HD1  ILE  61          HD12      ILE  61  64.650   8.029   4.084
  475    H    ASP  62           HN       ASP  62  68.100  12.067   4.676
  476    HA   ASP  62           HA       ASP  62  68.953  14.058   2.800
  477   1HB   ASP  62           HB2      ASP  62  68.175  13.794   5.612
  478   2HB   ASP  62           HB1      ASP  62  69.367  15.070   5.357
  479    H    GLU  63           HN       GLU  63  70.737  11.869   4.818
  480    HA   GLU  63           HA       GLU  63  73.224  13.492   4.533
  481   1HB   GLU  63           HB2      GLU  63  73.070  12.864   6.750
  482   2HB   GLU  63           HB1      GLU  63  72.113  11.432   6.381
  483   1HG   GLU  63           HG2      GLU  63  73.960  10.115   6.028
  484   2HG   GLU  63           HG1      GLU  63  74.939  11.458   5.438
  485    H    VAL  64           HN       VAL  64  71.902  10.231   3.930
  486    HA   VAL  64           HA       VAL  64  74.319   9.383   2.479
  487    HB   VAL  64           HB       VAL  64  72.771   7.990   3.972
  488   1HG1  VAL  64          HG13      VAL  64  70.660   8.876   2.993
  489   2HG1  VAL  64          HG12      VAL  64  71.051   8.064   1.476
  490   3HG1  VAL  64          HG11      VAL  64  70.739   7.115   2.930
  491   1HG2  VAL  64          HG22      VAL  64  73.507   7.176   1.155
  492   2HG2  VAL  64          HG21      VAL  64  74.359   6.804   2.653
  493   3HG2  VAL  64          HG23      VAL  64  72.813   6.030   2.302
  494    H    ASP  65           HN       ASP  65  70.940  10.206   1.710
  495    HA   ASP  65           HA       ASP  65  71.251   9.769  -1.154
  496   1HB   ASP  65           HB2      ASP  65  69.179   9.811   0.527
  497   2HB   ASP  65           HB1      ASP  65  69.128  11.506   0.044
  498    H    GLU  66           HN       GLU  66  73.367  11.323  -0.774
  499    HA   GLU  66           HA       GLU  66  72.938  14.168  -0.707
  500   1HB   GLU  66           HB2      GLU  66  75.142  12.357  -1.728
  501   2HB   GLU  66           HB1      GLU  66  75.293  14.115  -1.693
  502   1HG   GLU  66           HG2      GLU  66  74.671  13.978   0.783
  503   2HG   GLU  66           HG1      GLU  66  74.926  12.238   0.649
  504    H    ASP  67           HN       ASP  67  72.962  11.783  -3.321
  505    HA   ASP  67           HA       ASP  67  72.447  13.987  -5.288
  506   1HB   ASP  67           HB2      ASP  67  73.776  11.296  -5.360
  507   2HB   ASP  67           HB1      ASP  67  73.072  11.935  -6.846
  508    H    GLY  68           HN       GLY  68  71.224  10.990  -3.917
  509   1HA   GLY  68           HA2      GLY  68  69.298  10.198  -5.771
  510   2HA   GLY  68           HA1      GLY  68  69.056  10.079  -4.027
  511    H    SER  69           HN       SER  69  68.970  12.754  -3.293
  512    HA   SER  69           HA       SER  69  67.551  14.651  -3.289
  513   1HB   SER  69           HB2      SER  69  68.119  13.980  -5.972
  514   2HB   SER  69           HB1      SER  69  66.382  14.267  -5.911
  515    HG   SER  69           HG       SER  69  68.512  15.983  -5.206
  516    H    GLY  70           HN       GLY  70  66.485  12.574  -1.958
  517   1HA   GLY  70           HA2      GLY  70  64.325  12.017  -1.139
  518   2HA   GLY  70           HA1      GLY  70  63.617  12.808  -2.549
  519    H    THR  71           HN       THR  71  65.997  10.860  -3.740
  520    HA   THR  71           HA       THR  71  64.228   8.450  -3.900
  521    HB   THR  71           HB       THR  71  64.885   8.440  -6.372
  522    HG1  THR  71           HG1      THR  71  65.906  10.140  -7.151
  523   1HG2  THR  71          HG22      THR  71  62.754   9.523  -5.124
  524   2HG2  THR  71          HG21      THR  71  63.403  10.971  -5.894
  525   3HG2  THR  71          HG23      THR  71  62.960   9.574  -6.876
  526    H    VAL  72           HN       VAL  72  65.382   6.565  -3.658
  527    HA   VAL  72           HA       VAL  72  68.364   6.772  -3.584
  528    HB   VAL  72           HB       VAL  72  67.950   4.468  -2.382
  529   1HG1  VAL  72          HG12      VAL  72  67.467   7.243  -1.354
  530   2HG1  VAL  72          HG11      VAL  72  67.311   5.864  -0.266
  531   3HG1  VAL  72          HG13      VAL  72  68.846   6.175  -1.078
  532   1HG2  VAL  72          HG22      VAL  72  65.411   4.775  -3.114
  533   2HG2  VAL  72          HG21      VAL  72  65.827   4.024  -1.574
  534   3HG2  VAL  72          HG23      VAL  72  65.338   5.717  -1.625
  535    H    ASP  73           HN       ASP  73  69.584   4.928  -4.416
  536    HA   ASP  73           HA       ASP  73  68.210   3.563  -6.706
  537   1HB   ASP  73           HB2      ASP  73  71.162   4.182  -6.391
  538   2HB   ASP  73           HB1      ASP  73  70.297   3.775  -7.874
  539    H    PHE  74           HN       PHE  74  69.462   1.411  -7.233
  540    HA   PHE  74           HA       PHE  74  69.293  -0.366  -5.040
  541   1HB   PHE  74           HB2      PHE  74  69.433  -0.716  -7.624
  542   2HB   PHE  74           HB1      PHE  74  71.177  -0.756  -7.364
  543    HD1  PHE  74           HD1      PHE  74  68.015  -2.225  -5.980
  544    HD2  PHE  74           HD2      PHE  74  72.191  -2.786  -6.810
  545    HE1  PHE  74           HE1      PHE  74  67.849  -4.580  -5.219
  546    HE2  PHE  74           HE2      PHE  74  72.026  -5.141  -6.049
  547    HZ   PHE  74           HZ       PHE  74  69.855  -6.038  -5.254
  548    H    ASP  75           HN       ASP  75  71.780   1.892  -5.843
  549    HA   ASP  75           HA       ASP  75  73.951   0.506  -4.453
  550   1HB   ASP  75           HB2      ASP  75  73.450   3.005  -5.952
  551   2HB   ASP  75           HB1      ASP  75  74.680   3.138  -4.695
  552    H    GLU  76           HN       GLU  76  71.882   3.351  -3.749
  553    HA   GLU  76           HA       GLU  76  72.957   3.681  -1.060
  554   1HB   GLU  76           HB2      GLU  76  70.483   4.748  -2.465
  555   2HB   GLU  76           HB1      GLU  76  71.124   5.364  -0.941
  556   1HG   GLU  76           HG2      GLU  76  73.275   5.880  -2.091
  557   2HG   GLU  76           HG1      GLU  76  72.556   5.357  -3.614
  558    H    PHE  77           HN       PHE  77  69.764   2.621  -2.322
  559    HA   PHE  77           HA       PHE  77  68.431   1.937   0.000
  560   1HB   PHE  77           HB2      PHE  77  67.580   1.683  -2.301
  561   2HB   PHE  77           HB1      PHE  77  68.682   0.330  -2.566
  562    HD1  PHE  77           HD1      PHE  77  66.729   1.126   0.508
  563    HD2  PHE  77           HD2      PHE  77  67.211  -1.509  -2.849
  564    HE1  PHE  77           HE1      PHE  77  65.060  -0.425   1.487
  565    HE2  PHE  77           HE2      PHE  77  65.543  -3.061  -1.870
  566    HZ   PHE  77           HZ       PHE  77  64.468  -2.519   0.297
  567    H    LEU  78           HN       LEU  78  70.650  -0.280  -1.752
  568    HA   LEU  78           HA       LEU  78  70.639  -2.411   0.102
  569   1HB   LEU  78           HB2      LEU  78  72.366  -1.334  -2.048
  570   2HB   LEU  78           HB1      LEU  78  73.188  -2.395  -0.903
  571    HG   LEU  78           HG       LEU  78  70.688  -3.046  -2.492
  572   1HD1  LEU  78          HD12      LEU  78  73.495  -3.344  -3.007
  573   2HD1  LEU  78          HD11      LEU  78  72.791  -4.945  -2.782
  574   3HD1  LEU  78          HD13      LEU  78  72.138  -3.858  -4.008
  575   1HD2  LEU  78          HD21      LEU  78  71.772  -4.138  -0.009
  576   2HD2  LEU  78          HD23      LEU  78  70.224  -4.464  -0.789
  577   3HD2  LEU  78          HD22      LEU  78  71.664  -5.362  -1.274
  578    H    VAL  79           HN       VAL  79  72.821   0.426  -0.028
  579    HA   VAL  79           HA       VAL  79  74.468  -0.190   2.184
  580    HB   VAL  79           HB       VAL  79  73.393   2.456   1.152
  581   1HG1  VAL  79          HG11      VAL  79  75.547   1.750   3.129
  582   2HG1  VAL  79          HG13      VAL  79  75.710   3.194   2.131
  583   3HG1  VAL  79          HG12      VAL  79  74.333   3.026   3.219
  584   1HG2  VAL  79          HG22      VAL  79  74.699   0.787  -0.370
  585   2HG2  VAL  79          HG21      VAL  79  75.228   2.469  -0.324
  586   3HG2  VAL  79          HG23      VAL  79  76.099   1.246   0.601
  587    H    MET  80           HN       MET  80  71.377   1.616   2.121
  588    HA   MET  80           HA       MET  80  71.170   2.268   4.855
  589   1HB   MET  80           HB2      MET  80  69.397   1.847   2.527
  590   2HB   MET  80           HB1      MET  80  68.597   1.705   4.093
  591   1HG   MET  80           HG2      MET  80  68.452   3.971   3.972
  592   2HG   MET  80           HG1      MET  80  70.139   3.931   4.483
  593   1HE   MET  80           HE3      MET  80  68.457   6.123   2.871
  594   2HE   MET  80           HE2      MET  80  68.681   6.157   1.124
  595   3HE   MET  80           HE1      MET  80  67.626   4.945   1.846
  596    H    MET  81           HN       MET  81  69.961  -0.675   3.201
  597    HA   MET  81           HA       MET  81  68.928  -2.022   5.466
  598   1HB   MET  81           HB2      MET  81  70.053  -2.750   2.788
  599   2HB   MET  81           HB1      MET  81  69.745  -4.053   3.934
  600   1HG   MET  81           HG2      MET  81  67.692  -1.961   3.164
  601   2HG   MET  81           HG1      MET  81  67.797  -3.558   2.425
  602   1HE   MET  81           HE3      MET  81  66.806  -5.366   3.001
  603   2HE   MET  81           HE2      MET  81  67.872  -5.898   4.300
  604   3HE   MET  81           HE1      MET  81  66.128  -5.899   4.545
  605    H    VAL  82           HN       VAL  82  72.209  -2.228   4.040
  606    HA   VAL  82           HA       VAL  82  73.327  -4.026   5.945
  607    HB   VAL  82           HB       VAL  82  74.396  -1.841   4.151
  608   1HG1  VAL  82          HG11      VAL  82  75.887  -2.083   6.139
  609   2HG1  VAL  82          HG13      VAL  82  76.035  -3.804   5.782
  610   3HG1  VAL  82          HG12      VAL  82  76.659  -2.609   4.644
  611   1HG2  VAL  82          HG21      VAL  82  73.632  -4.571   3.830
  612   2HG2  VAL  82          HG23      VAL  82  74.337  -3.495   2.623
  613   3HG2  VAL  82          HG22      VAL  82  75.383  -4.484   3.641
  614    H    ARG  83           HN       ARG  83  72.898  -0.508   6.005
  615    HA   ARG  83           HA       ARG  83  74.482  -0.112   8.426
  616   1HB   ARG  83           HB2      ARG  83  73.894   1.494   6.466
  617   2HB   ARG  83           HB1      ARG  83  72.362   1.724   7.310
  618   1HG   ARG  83           HG2      ARG  83  73.418   2.637   9.221
  619   2HG   ARG  83           HG1      ARG  83  75.002   2.027   8.740
  620   1HD   ARG  83           HD2      ARG  83  75.160   3.620   6.935
  621   2HD   ARG  83           HD1      ARG  83  73.467   4.108   7.148
  622    HE   ARG  83           HE       ARG  83  75.677   5.062   8.738
  623   1HH1  ARG  83          HH21      ARG  83  72.319   4.311   8.651
  624   2HH1  ARG  83          HH22      ARG  83  71.963   5.114  10.144
  625   1HH2  ARG  83          HH11      ARG  83  75.261   5.978  10.775
  626   2HH2  ARG  83          HH12      ARG  83  73.628   6.056  11.346
  627    H    CYS  84           HN       CYS  84  71.145  -0.868   7.677
  628    HA   CYS  84           HA       CYS  84  70.261  -0.276  10.453
  629   1HB   CYS  84           HB2      CYS  84  69.050  -0.778   7.776
  630   2HB   CYS  84           HB1      CYS  84  68.093  -1.256   9.179
  631    HG   CYS  84           HG       CYS  84  69.171   1.666   8.841
  632    H    MET  85           HN       MET  85  71.461  -2.895   8.602
  633    HA   MET  85           HA       MET  85  69.999  -5.080   9.782
  634   1HB   MET  85           HB2      MET  85  72.320  -4.580   8.061
  635   2HB   MET  85           HB1      MET  85  72.521  -6.010   9.073
  636   1HG   MET  85           HG2      MET  85  69.851  -6.049   8.096
  637   2HG   MET  85           HG1      MET  85  70.902  -5.704   6.722
  638   1HE   MET  85           HE1      MET  85  71.702  -7.148   5.408
  639   2HE   MET  85           HE3      MET  85  71.966  -8.887   5.595
  640   3HE   MET  85           HE2      MET  85  70.328  -8.240   5.550
  641    H    LYS  86           HN       LYS  86  69.972  -5.117  12.040
  642    HA   LYS  86           HA       LYS  86  72.566  -4.803  13.488
  643   1HB   LYS  86           HB2      LYS  86  69.693  -4.308  13.994
  644   2HB   LYS  86           HB1      LYS  86  70.589  -4.945  15.374
  645   1HG   LYS  86           HG2      LYS  86  71.399  -2.524  13.735
  646   2HG   LYS  86           HG1      LYS  86  70.638  -2.467  15.325
  647   1HD   LYS  86           HD2      LYS  86  73.000  -4.213  15.215
  648   2HD   LYS  86           HD1      LYS  86  73.357  -2.517  14.887
  649   1HE   LYS  86           HE2      LYS  86  73.342  -2.229  17.144
  650   2HE   LYS  86           HE1      LYS  86  71.581  -2.431  17.051
  651   1HZ   LYS  86           HZ2      LYS  86  72.332  -4.953  16.869
  652   2HZ   LYS  86           HZ1      LYS  86  73.633  -4.370  17.793
  653   3HZ   LYS  86           HZ3      LYS  86  72.045  -4.204  18.366
  654    H    ASP  87           HN       ASP  87  72.338  -7.232  12.120
  655    HA   ASP  87           HA       ASP  87  72.112  -9.143  14.398
  656   1HB   ASP  87           HB2      ASP  87  70.827 -10.662  12.836
  657   2HB   ASP  87           HB1      ASP  87  69.955  -9.198  13.292
  658    H    ASP  88           HN       ASP  88  74.075 -10.161  14.441
  659    HA   ASP  88           HA       ASP  88  75.823 -10.231  12.092
  660   1HB   ASP  88           HB2      ASP  88  77.306 -11.421  13.737
  661   2HB   ASP  88           HB1      ASP  88  76.696  -9.880  14.342
  662    H    SER  89           HN       SER  89  74.281 -11.546  10.729
  663    HA   SER  89           HA       SER  89  73.549 -14.241  11.429
  664   1HB   SER  89           HB2      SER  89  73.205 -12.361   9.328
  665   2HB   SER  89           HB1      SER  89  73.861 -13.821   8.594
  666    HG   SER  89           HG       SER  89  72.008 -14.743   8.919
   
  No H/Q in entry =         666
  Start of MODEL   16
    1   1H    MET   1           HT2      MET   1  81.563   8.666  -5.952
    2   2H    MET   1           HT1      MET   1  80.403   9.124  -4.798
    3   3H    MET   1           HT3      MET   1  81.345  10.307  -5.567
    4    HA   MET   1           HA       MET   1  83.307   9.639  -4.438
    5   1HB   MET   1           HB2      MET   1  80.775   9.776  -2.784
    6   2HB   MET   1           HB1      MET   1  82.379   9.825  -2.052
    7   1HG   MET   1           HG2      MET   1  82.927  11.867  -3.087
    8   2HG   MET   1           HG1      MET   1  81.667  11.688  -4.309
    9   1HE   MET   1           HE2      MET   1  79.673  12.154  -4.332
   10   2HE   MET   1           HE1      MET   1  78.553  12.719  -3.095
   11   3HE   MET   1           HE3      MET   1  79.687  13.848  -3.850
   12    H    ASP   2           HN       ASP   2  84.068   8.189  -2.511
   13    HA   ASP   2           HA       ASP   2  82.906   5.437  -2.764
   14   1HB   ASP   2           HB2      ASP   2  85.158   4.576  -3.005
   15   2HB   ASP   2           HB1      ASP   2  84.961   5.882  -4.174
   16    H    ASP   3           HN       ASP   3  82.706   4.384  -0.799
   17    HA   ASP   3           HA       ASP   3  84.210   5.442   1.554
   18   1HB   ASP   3           HB2      ASP   3  81.564   6.064   0.937
   19   2HB   ASP   3           HB1      ASP   3  81.421   4.765   2.122
   20    H    ILE   4           HN       ILE   4  83.298   3.876   3.528
   21    HA   ILE   4           HA       ILE   4  84.203   1.194   2.765
   22    HB   ILE   4           HB       ILE   4  84.192   0.844   5.145
   23   1HG1  ILE   4          HG12      ILE   4  83.104   2.885   6.490
   24   2HG1  ILE   4          HG11      ILE   4  82.099   2.975   5.043
   25   1HG2  ILE   4          HG21      ILE   4  85.670   2.751   4.029
   26   2HG2  ILE   4          HG23      ILE   4  84.699   3.793   5.070
   27   3HG2  ILE   4          HG22      ILE   4  85.678   2.508   5.777
   28   1HD1  ILE   4          HD12      ILE   4  82.555   0.315   6.358
   29   2HD1  ILE   4          HD11      ILE   4  81.362   1.425   7.034
   30   3HD1  ILE   4          HD13      ILE   4  81.193   0.850   5.375
   31    H    TYR   5           HN       TYR   5  81.142   2.796   3.339
   32    HA   TYR   5           HA       TYR   5  79.482   0.587   3.984
   33   1HB   TYR   5           HB2      TYR   5  78.946   3.065   2.313
   34   2HB   TYR   5           HB1      TYR   5  77.704   2.061   3.063
   35    HD1  TYR   5           HD1      TYR   5  77.516   1.926   5.538
   36    HD2  TYR   5           HD2      TYR   5  80.282   4.593   3.616
   37    HE1  TYR   5           HE1      TYR   5  77.784   3.179   7.661
   38    HE2  TYR   5           HE2      TYR   5  80.549   5.846   5.740
   39    HH   TYR   5           HH       TYR   5  78.554   5.131   8.557
   40    H    LYS   6           HN       LYS   6  80.941   1.534   0.938
   41    HA   LYS   6           HA       LYS   6  79.288   0.248  -0.947
   42   1HB   LYS   6           HB2      LYS   6  81.764   1.512  -0.841
   43   2HB   LYS   6           HB1      LYS   6  82.164  -0.119  -1.382
   44   1HG   LYS   6           HG2      LYS   6  79.990   0.355  -2.925
   45   2HG   LYS   6           HG1      LYS   6  80.604   1.999  -2.757
   46   1HD   LYS   6           HD2      LYS   6  82.749   1.381  -3.641
   47   2HD   LYS   6           HD1      LYS   6  82.350  -0.336  -3.569
   48   1HE   LYS   6           HE2      LYS   6  82.085   0.381  -5.876
   49   2HE   LYS   6           HE1      LYS   6  80.456   0.151  -5.209
   50   1HZ   LYS   6           HZ3      LYS   6  81.909   2.739  -5.151
   51   2HZ   LYS   6           HZ2      LYS   6  80.784   2.325  -6.355
   52   3HZ   LYS   6           HZ1      LYS   6  80.288   2.464  -4.736
   53    H    ALA   7           HN       ALA   7  81.891  -1.137   1.066
   54    HA   ALA   7           HA       ALA   7  81.954  -3.754  -0.004
   55   1HB   ALA   7           HB3      ALA   7  82.956  -2.286   2.206
   56   2HB   ALA   7           HB2      ALA   7  82.216  -3.743   2.870
   57   3HB   ALA   7           HB1      ALA   7  83.485  -3.876   1.653
   58    H    ALA   8           HN       ALA   8  79.680  -2.269   2.266
   59    HA   ALA   8           HA       ALA   8  78.388  -4.554   3.298
   60   1HB   ALA   8           HB3      ALA   8  78.121  -1.838   3.433
   61   2HB   ALA   8           HB2      ALA   8  76.685  -2.265   2.504
   62   3HB   ALA   8           HB1      ALA   8  76.944  -2.970   4.099
   63    H    VAL   9           HN       VAL   9  77.996  -2.958   0.151
   64    HA   VAL   9           HA       VAL   9  75.667  -4.489  -0.657
   65    HB   VAL   9           HB       VAL   9  77.772  -2.837  -2.079
   66   1HG1  VAL   9          HG13      VAL   9  75.971  -4.745  -3.214
   67   2HG1  VAL   9          HG12      VAL   9  75.390  -3.133  -3.630
   68   3HG1  VAL   9          HG11      VAL   9  77.032  -3.616  -4.055
   69   1HG2  VAL   9          HG22      VAL   9  75.811  -2.000  -0.443
   70   2HG2  VAL   9          HG21      VAL   9  76.292  -1.082  -1.870
   71   3HG2  VAL   9          HG23      VAL   9  74.876  -2.132  -1.933
   72    H    GLU  10           HN       GLU  10  79.160  -4.733  -1.420
   73    HA   GLU  10           HA       GLU  10  79.045  -6.965  -3.161
   74   1HB   GLU  10           HB2      GLU  10  81.025  -5.686  -1.326
   75   2HB   GLU  10           HB1      GLU  10  81.429  -7.276  -1.974
   76   1HG   GLU  10           HG2      GLU  10  80.338  -5.403  -3.970
   77   2HG   GLU  10           HG1      GLU  10  81.886  -4.908  -3.284
   78    H    GLN  11           HN       GLN  11  78.727  -6.784   0.323
   79    HA   GLN  11           HA       GLN  11  79.393  -9.432   1.083
   80   1HB   GLN  11           HB2      GLN  11  77.509  -7.293   2.048
   81   2HB   GLN  11           HB1      GLN  11  77.526  -8.865   2.849
   82   1HG   GLN  11           HG2      GLN  11  80.229  -8.215   2.565
   83   2HG   GLN  11           HG1      GLN  11  79.460  -6.693   3.018
   84   1HE2  GLN  11          HE22      GLN  11  78.008  -8.524   6.002
   85   2HE2  GLN  11          HE21      GLN  11  77.302  -7.881   4.599
   86    H    LEU  12           HN       LEU  12  76.678  -8.235  -0.743
   87    HA   LEU  12           HA       LEU  12  75.072 -10.682  -0.289
   88   1HB   LEU  12           HB2      LEU  12  74.585  -8.327  -2.135
   89   2HB   LEU  12           HB1      LEU  12  73.385  -9.448  -1.491
   90    HG   LEU  12           HG       LEU  12  75.095  -7.670   0.263
   91   1HD1  LEU  12          HD11      LEU  12  72.944  -6.922  -1.451
   92   2HD1  LEU  12          HD13      LEU  12  72.337  -6.893   0.205
   93   3HD1  LEU  12          HD12      LEU  12  73.751  -5.935  -0.233
   94   1HD2  LEU  12          HD23      LEU  12  73.572  -9.905   0.848
   95   2HD2  LEU  12          HD22      LEU  12  74.007  -8.643   2.001
   96   3HD2  LEU  12          HD21      LEU  12  72.453  -8.581   1.169
   97    H    THR  13           HN       THR  13  74.938 -12.343  -1.785
   98    HA   THR  13           HA       THR  13  76.846 -12.352  -4.024
   99    HB   THR  13           HB       THR  13  75.437 -14.680  -4.173
  100    HG1  THR  13           HG1      THR  13  74.314 -14.979  -2.440
  101   1HG2  THR  13          HG22      THR  13  77.894 -14.322  -3.759
  102   2HG2  THR  13          HG21      THR  13  77.518 -14.108  -2.048
  103   3HG2  THR  13          HG23      THR  13  77.198 -15.654  -2.835
  104    H    GLU  14           HN       GLU  14  76.141 -12.858  -6.244
  105    HA   GLU  14           HA       GLU  14  74.184 -11.196  -7.344
  106   1HB   GLU  14           HB2      GLU  14  74.477 -12.546  -9.318
  107   2HB   GLU  14           HB1      GLU  14  76.014 -12.582  -8.454
  108   1HG   GLU  14           HG2      GLU  14  74.965 -14.708  -7.294
  109   2HG   GLU  14           HG1      GLU  14  73.951 -14.740  -8.737
  110    H    GLU  15           HN       GLU  15  73.786 -14.377  -5.876
  111    HA   GLU  15           HA       GLU  15  71.103 -14.877  -6.835
  112   1HB   GLU  15           HB2      GLU  15  73.111 -16.018  -5.047
  113   2HB   GLU  15           HB1      GLU  15  71.479 -16.214  -4.407
  114   1HG   GLU  15           HG2      GLU  15  71.995 -18.124  -5.824
  115   2HG   GLU  15           HG1      GLU  15  70.773 -17.136  -6.626
  116    H    GLN  16           HN       GLN  16  72.446 -13.271  -3.967
  117    HA   GLN  16           HA       GLN  16  69.845 -12.932  -2.672
  118   1HB   GLN  16           HB2      GLN  16  72.654 -11.883  -2.265
  119   2HB   GLN  16           HB1      GLN  16  71.316 -11.398  -1.223
  120   1HG   GLN  16           HG2      GLN  16  71.433 -14.295  -1.639
  121   2HG   GLN  16           HG1      GLN  16  72.887 -13.656  -0.871
  122   1HE2  GLN  16          HE22      GLN  16  69.306 -13.070   1.087
  123   2HE2  GLN  16          HE21      GLN  16  69.319 -13.096  -0.610
  124    H    LYS  17           HN       LYS  17  71.770 -11.170  -4.992
  125    HA   LYS  17           HA       LYS  17  70.591  -8.558  -4.586
  126   1HB   LYS  17           HB2      LYS  17  72.639  -9.764  -6.068
  127   2HB   LYS  17           HB1      LYS  17  71.513  -9.163  -7.286
  128   1HG   LYS  17           HG2      LYS  17  72.265  -7.072  -6.952
  129   2HG   LYS  17           HG1      LYS  17  71.761  -7.162  -5.264
  130   1HD   LYS  17           HD2      LYS  17  73.884  -7.448  -4.543
  131   2HD   LYS  17           HD1      LYS  17  74.214  -8.670  -5.771
  132   1HE   LYS  17           HE2      LYS  17  75.680  -6.783  -6.209
  133   2HE   LYS  17           HE1      LYS  17  74.414  -6.761  -7.455
  134   1HZ   LYS  17           HZ3      LYS  17  73.939  -5.392  -4.898
  135   2HZ   LYS  17           HZ2      LYS  17  74.901  -4.624  -6.071
  136   3HZ   LYS  17           HZ1      LYS  17  73.298  -5.055  -6.432
  137    H    ASN  18           HN       ASN  18  69.567 -11.453  -6.230
  138    HA   ASN  18           HA       ASN  18  67.727 -10.241  -8.102
  139   1HB   ASN  18           HB2      ASN  18  68.673 -12.826  -7.274
  140   2HB   ASN  18           HB1      ASN  18  66.909 -12.861  -7.329
  141   1HD2  ASN  18          HD22      ASN  18  68.838 -13.137 -10.770
  142   2HD2  ASN  18          HD21      ASN  18  69.480 -13.538  -9.251
  143    H    GLU  19           HN       GLU  19  67.327 -11.664  -4.845
  144    HA   GLU  19           HA       GLU  19  64.537 -11.490  -4.570
  145   1HB   GLU  19           HB2      GLU  19  66.904 -11.749  -2.936
  146   2HB   GLU  19           HB1      GLU  19  65.728 -10.719  -2.116
  147   1HG   GLU  19           HG2      GLU  19  64.166 -12.767  -3.151
  148   2HG   GLU  19           HG1      GLU  19  65.633 -13.599  -2.633
  149    H    PHE  20           HN       PHE  20  66.921  -8.980  -3.605
  150    HA   PHE  20           HA       PHE  20  65.031  -6.982  -2.882
  151   1HB   PHE  20           HB2      PHE  20  67.899  -7.213  -3.574
  152   2HB   PHE  20           HB1      PHE  20  67.216  -5.602  -3.789
  153    HD1  PHE  20           HD1      PHE  20  65.270  -5.281  -1.716
  154    HD2  PHE  20           HD2      PHE  20  69.047  -7.322  -1.544
  155    HE1  PHE  20           HE1      PHE  20  65.357  -4.916   0.736
  156    HE2  PHE  20           HE2      PHE  20  69.133  -6.956   0.907
  157    HZ   PHE  20           HZ       PHE  20  67.288  -5.753   2.047
  158    H    LYS  21           HN       LYS  21  66.608  -7.654  -6.013
  159    HA   LYS  21           HA       LYS  21  65.682  -5.461  -7.512
  160   1HB   LYS  21           HB2      LYS  21  67.292  -7.167  -8.264
  161   2HB   LYS  21           HB1      LYS  21  66.008  -8.376  -8.295
  162   1HG   LYS  21           HG2      LYS  21  65.950  -7.741 -10.509
  163   2HG   LYS  21           HG1      LYS  21  64.841  -6.537  -9.851
  164   1HD   LYS  21           HD2      LYS  21  66.872  -5.031  -9.522
  165   2HD   LYS  21           HD1      LYS  21  67.774  -6.188 -10.501
  166   1HE   LYS  21           HE2      LYS  21  65.273  -4.699 -11.381
  167   2HE   LYS  21           HE1      LYS  21  66.928  -4.390 -11.947
  168   1HZ   LYS  21           HZ2      LYS  21  67.045  -6.740 -12.630
  169   2HZ   LYS  21           HZ1      LYS  21  65.407  -6.930 -12.219
  170   3HZ   LYS  21           HZ3      LYS  21  65.848  -5.881 -13.477
  171    H    ALA  22           HN       ALA  22  64.016  -8.541  -6.802
  172    HA   ALA  22           HA       ALA  22  61.688  -8.009  -8.409
  173   1HB   ALA  22           HB1      ALA  22  62.589 -10.196  -7.405
  174   2HB   ALA  22           HB3      ALA  22  61.844  -9.680  -5.892
  175   3HB   ALA  22           HB2      ALA  22  60.844  -9.960  -7.317
  176    H    ALA  23           HN       ALA  23  62.640  -7.047  -5.165
  177    HA   ALA  23           HA       ALA  23  59.903  -5.979  -4.630
  178   1HB   ALA  23           HB3      ALA  23  61.053  -7.437  -2.970
  179   2HB   ALA  23           HB2      ALA  23  62.362  -6.260  -2.871
  180   3HB   ALA  23           HB1      ALA  23  60.743  -5.826  -2.323
  181    H    PHE  24           HN       PHE  24  62.825  -4.958  -5.938
  182    HA   PHE  24           HA       PHE  24  62.717  -2.225  -4.796
  183   1HB   PHE  24           HB2      PHE  24  64.844  -3.486  -5.080
  184   2HB   PHE  24           HB1      PHE  24  64.558  -3.539  -6.821
  185    HD1  PHE  24           HD2      PHE  24  64.483  -1.418  -8.138
  186    HD2  PHE  24           HD1      PHE  24  65.664  -1.510  -4.013
  187    HE1  PHE  24           HE2      PHE  24  65.497   0.835  -8.380
  188    HE2  PHE  24           HE1      PHE  24  66.678   0.743  -4.252
  189    HZ   PHE  24           HZ       PHE  24  66.594   1.915  -6.436
  190    H    ASP  25           HN       ASP  25  62.648  -3.765  -8.039
  191    HA   ASP  25           HA       ASP  25  62.020  -1.393  -9.504
  192   1HB   ASP  25           HB2      ASP  25  62.860  -3.387 -10.572
  193   2HB   ASP  25           HB1      ASP  25  61.509  -4.345  -9.964
  194    H    ILE  26           HN       ILE  26  60.127  -3.196  -7.307
  195    HA   ILE  26           HA       ILE  26  57.511  -2.996  -8.421
  196    HB   ILE  26           HB       ILE  26  58.560  -2.947  -5.578
  197   1HG1  ILE  26          HG12      ILE  26  57.650  -5.102  -7.495
  198   2HG1  ILE  26          HG11      ILE  26  59.188  -4.982  -6.642
  199   1HG2  ILE  26          HG21      ILE  26  56.182  -2.052  -5.932
  200   2HG2  ILE  26          HG23      ILE  26  55.764  -3.677  -6.475
  201   3HG2  ILE  26          HG22      ILE  26  56.343  -3.420  -4.829
  202   1HD1  ILE  26          HD12      ILE  26  57.792  -5.136  -4.479
  203   2HD1  ILE  26          HD11      ILE  26  56.478  -5.685  -5.519
  204   3HD1  ILE  26          HD13      ILE  26  57.975  -6.612  -5.427
  205    H    PHE  27           HN       PHE  27  59.580  -0.591  -6.927
  206    HA   PHE  27           HA       PHE  27  57.429   1.443  -7.362
  207   1HB   PHE  27           HB2      PHE  27  59.146   0.951  -4.915
  208   2HB   PHE  27           HB1      PHE  27  58.233   2.441  -5.161
  209    HD1  PHE  27           HD2      PHE  27  55.691   2.163  -5.725
  210    HD2  PHE  27           HD1      PHE  27  58.104  -0.891  -3.906
  211    HE1  PHE  27           HE2      PHE  27  53.643   1.049  -4.875
  212    HE2  PHE  27           HE1      PHE  27  56.057  -2.003  -3.057
  213    HZ   PHE  27           HZ       PHE  27  53.826  -1.032  -3.540
  214    H    VAL  28           HN       VAL  28  59.879   0.726  -8.910
  215    HA   VAL  28           HA       VAL  28  61.863   2.794  -8.376
  216    HB   VAL  28           HB       VAL  28  62.127   0.471  -9.440
  217   1HG1  VAL  28          HG13      VAL  28  60.233   1.456 -11.195
  218   2HG1  VAL  28          HG12      VAL  28  61.732   1.613 -12.110
  219   3HG1  VAL  28          HG11      VAL  28  61.245   0.040 -11.478
  220   1HG2  VAL  28          HG23      VAL  28  63.450   2.981  -9.965
  221   2HG2  VAL  28          HG22      VAL  28  64.154   1.367  -9.852
  222   3HG2  VAL  28          HG21      VAL  28  63.534   1.952 -11.396
  223    H    LEU  29           HN       LEU  29  58.848   2.776  -9.801
  224    HA   LEU  29           HA       LEU  29  57.731   4.241 -11.307
  225   1HB   LEU  29           HB2      LEU  29  59.338   5.642  -9.284
  226   2HB   LEU  29           HB1      LEU  29  58.940   6.651 -10.674
  227    HG   LEU  29           HG       LEU  29  56.530   5.690 -10.368
  228   1HD1  LEU  29          HD13      LEU  29  57.796   5.176  -7.662
  229   2HD1  LEU  29          HD12      LEU  29  56.057   5.211  -7.947
  230   3HD1  LEU  29          HD11      LEU  29  57.054   3.982  -8.726
  231   1HD2  LEU  29          HD21      LEU  29  57.847   7.994  -9.490
  232   2HD2  LEU  29          HD23      LEU  29  56.101   7.762  -9.573
  233   3HD2  LEU  29          HD22      LEU  29  56.963   7.434  -8.070
  234    H    GLY  30           HN       GLY  30  60.370   3.033 -12.272
  235   1HA   GLY  30           HA2      GLY  30  61.949   3.382 -13.991
  236   2HA   GLY  30           HA1      GLY  30  60.563   4.096 -14.815
  237    H    ALA  31           HN       ALA  31  63.099   4.917 -12.433
  238    HA   ALA  31           HA       ALA  31  62.783   7.796 -13.054
  239   1HB   ALA  31           HB3      ALA  31  63.597   6.179 -10.869
  240   2HB   ALA  31           HB2      ALA  31  65.011   7.114 -11.354
  241   3HB   ALA  31           HB1      ALA  31  63.515   7.941 -10.922
  242    H    GLU  32           HN       GLU  32  65.617   8.370 -12.597
  243    HA   GLU  32           HA       GLU  32  66.606   8.452 -15.247
  244   1HB   GLU  32           HB2      GLU  32  67.392   9.157 -12.582
  245   2HB   GLU  32           HB1      GLU  32  68.763   8.382 -13.376
  246   1HG   GLU  32           HG2      GLU  32  69.144  10.404 -14.322
  247   2HG   GLU  32           HG1      GLU  32  67.770  10.025 -15.363
  248    H    ASP  33           HN       ASP  33  67.286   6.097 -12.640
  249    HA   ASP  33           HA       ASP  33  67.912   4.032 -14.633
  250   1HB   ASP  33           HB2      ASP  33  69.965   5.543 -13.054
  251   2HB   ASP  33           HB1      ASP  33  70.251   3.835 -13.393
  252    H    GLY  34           HN       GLY  34  66.216   2.912 -13.458
  253   1HA   GLY  34           HA2      GLY  34  65.335   1.582 -11.730
  254   2HA   GLY  34           HA1      GLY  34  67.009   1.073 -11.521
  255    H    CYS  35           HN       CYS  35  65.144   4.058 -10.823
  256    HA   CYS  35           HA       CYS  35  66.344   3.997  -8.071
  257   1HB   CYS  35           HB2      CYS  35  65.543   6.411  -9.724
  258   2HB   CYS  35           HB1      CYS  35  66.463   6.413  -8.220
  259    HG   CYS  35           HG       CYS  35  67.794   4.808 -10.473
  260    H    ILE  36           HN       ILE  36  64.875   4.239  -6.378
  261    HA   ILE  36           HA       ILE  36  61.997   4.552  -7.153
  262    HB   ILE  36           HB       ILE  36  61.570   3.258  -5.113
  263   1HG1  ILE  36          HG12      ILE  36  64.580   3.200  -4.747
  264   2HG1  ILE  36          HG11      ILE  36  63.511   4.282  -3.851
  265   1HG2  ILE  36          HG21      ILE  36  63.365   2.328  -7.257
  266   2HG2  ILE  36          HG23      ILE  36  63.413   1.337  -5.798
  267   3HG2  ILE  36          HG22      ILE  36  61.884   1.601  -6.635
  268   1HD1  ILE  36          HD13      ILE  36  63.152   1.277  -3.905
  269   2HD1  ILE  36          HD12      ILE  36  64.075   2.116  -2.658
  270   3HD1  ILE  36          HD11      ILE  36  62.350   2.434  -2.843
  271    H    SER  37           HN       SER  37  60.643   5.724  -5.533
  272    HA   SER  37           HA       SER  37  61.940   8.212  -4.686
  273   1HB   SER  37           HB2      SER  37  59.760   8.976  -4.632
  274   2HB   SER  37           HB1      SER  37  59.514   7.558  -5.649
  275    HG   SER  37           HG       SER  37  58.929   7.965  -2.934
  276    H    THR  38           HN       THR  38  62.277   8.867  -2.534
  277    HA   THR  38           HA       THR  38  62.874   6.937  -0.546
  278    HB   THR  38           HB       THR  38  62.551   9.135   0.913
  279    HG1  THR  38           HG1      THR  38  61.365   9.918  -1.141
  280   1HG2  THR  38          HG21      THR  38  64.557   8.442  -1.186
  281   2HG2  THR  38          HG23      THR  38  64.670  10.032  -0.434
  282   3HG2  THR  38          HG22      THR  38  64.761   8.579   0.561
  283    H    LYS  39           HN       LYS  39  59.841   8.508  -1.369
  284    HA   LYS  39           HA       LYS  39  58.437   7.974   1.095
  285   1HB   LYS  39           HB2      LYS  39  57.917   8.898  -1.655
  286   2HB   LYS  39           HB1      LYS  39  56.550   8.070  -0.909
  287   1HG   LYS  39           HG2      LYS  39  57.315   9.630   1.163
  288   2HG   LYS  39           HG1      LYS  39  57.820  10.654  -0.182
  289   1HD   LYS  39           HD2      LYS  39  55.159   9.456  -0.546
  290   2HD   LYS  39           HD1      LYS  39  55.263  10.548   0.835
  291   1HE   LYS  39           HE2      LYS  39  56.674  11.835  -1.248
  292   2HE   LYS  39           HE1      LYS  39  55.177  11.217  -1.977
  293   1HZ   LYS  39           HZ2      LYS  39  55.038  12.412   0.696
  294   2HZ   LYS  39           HZ1      LYS  39  55.182  13.459  -0.635
  295   3HZ   LYS  39           HZ3      LYS  39  53.870  12.389  -0.538
  296    H    GLU  40           HN       GLU  40  58.812   6.158  -1.949
  297    HA   GLU  40           HA       GLU  40  57.026   4.003  -1.061
  298   1HB   GLU  40           HB2      GLU  40  58.971   4.232  -3.384
  299   2HB   GLU  40           HB1      GLU  40  57.683   3.037  -3.231
  300   1HG   GLU  40           HG2      GLU  40  57.067   5.983  -3.097
  301   2HG   GLU  40           HG1      GLU  40  57.213   5.162  -4.651
  302    H    LEU  41           HN       LEU  41  60.531   4.540  -1.358
  303    HA   LEU  41           HA       LEU  41  61.569   1.990  -0.916
  304   1HB   LEU  41           HB2      LEU  41  62.869   4.046  -1.307
  305   2HB   LEU  41           HB1      LEU  41  62.405   4.656   0.279
  306    HG   LEU  41           HG       LEU  41  64.733   3.492  -0.013
  307   1HD1  LEU  41          HD13      LEU  41  63.437   4.162   2.127
  308   2HD1  LEU  41          HD12      LEU  41  63.039   2.448   2.250
  309   3HD1  LEU  41          HD11      LEU  41  64.723   2.966   2.282
  310   1HD2  LEU  41          HD22      LEU  41  63.364   1.447  -1.035
  311   2HD2  LEU  41          HD21      LEU  41  64.812   1.176  -0.065
  312   3HD2  LEU  41          HD23      LEU  41  63.216   0.999   0.665
  313    H    GLY  42           HN       GLY  42  59.980   4.130   1.408
  314   1HA   GLY  42           HA2      GLY  42  60.727   2.853   3.820
  315   2HA   GLY  42           HA1      GLY  42  59.201   3.705   3.581
  316    H    LYS  43           HN       LYS  43  57.747   2.281   1.905
  317    HA   LYS  43           HA       LYS  43  56.903  -0.023   3.372
  318   1HB   LYS  43           HB2      LYS  43  56.455   0.763   0.472
  319   2HB   LYS  43           HB1      LYS  43  55.454  -0.354   1.398
  320   1HG   LYS  43           HG2      LYS  43  55.928   2.531   2.197
  321   2HG   LYS  43           HG1      LYS  43  54.528   1.990   1.270
  322   1HD   LYS  43           HD2      LYS  43  55.236   0.673   3.886
  323   2HD   LYS  43           HD1      LYS  43  54.299   2.167   3.857
  324   1HE   LYS  43           HE2      LYS  43  53.233   0.328   1.896
  325   2HE   LYS  43           HE1      LYS  43  53.304  -0.455   3.486
  326   1HZ   LYS  43           HZ2      LYS  43  52.337   2.323   3.146
  327   2HZ   LYS  43           HZ1      LYS  43  51.286   0.993   3.031
  328   3HZ   LYS  43           HZ3      LYS  43  52.122   1.289   4.477
  329    H    VAL  44           HN       VAL  44  59.375   0.408   0.964
  330    HA   VAL  44           HA       VAL  44  59.497  -2.435   0.211
  331    HB   VAL  44           HB       VAL  44  61.021   0.101  -0.386
  332   1HG1  VAL  44          HG13      VAL  44  61.979  -2.677  -0.596
  333   2HG1  VAL  44          HG12      VAL  44  62.080  -1.769  -2.106
  334   3HG1  VAL  44          HG11      VAL  44  62.886  -1.166  -0.658
  335   1HG2  VAL  44          HG21      VAL  44  58.790  -1.104  -1.494
  336   2HG2  VAL  44          HG23      VAL  44  59.816   0.076  -2.308
  337   3HG2  VAL  44          HG22      VAL  44  60.089  -1.648  -2.554
  338    H    MET  45           HN       MET  45  60.776  -0.402   2.695
  339    HA   MET  45           HA       MET  45  63.105  -2.144   3.236
  340   1HB   MET  45           HB2      MET  45  62.002   0.481   4.118
  341   2HB   MET  45           HB1      MET  45  63.014  -0.384   5.277
  342   1HG   MET  45           HG2      MET  45  64.582  -0.694   3.155
  343   2HG   MET  45           HG1      MET  45  63.739   0.753   2.605
  344   1HE   MET  45           HE1      MET  45  66.320  -0.843   4.727
  345   2HE   MET  45           HE3      MET  45  66.617   0.228   6.104
  346   3HE   MET  45           HE2      MET  45  65.127  -0.707   6.017
  347    H    ARG  46           HN       ARG  46  59.825  -1.638   4.365
  348    HA   ARG  46           HA       ARG  46  60.160  -3.041   6.901
  349   1HB   ARG  46           HB2      ARG  46  57.712  -2.808   6.962
  350   2HB   ARG  46           HB1      ARG  46  58.444  -1.299   6.421
  351   1HG   ARG  46           HG2      ARG  46  57.926  -1.780   4.120
  352   2HG   ARG  46           HG1      ARG  46  57.424  -3.423   4.520
  353   1HD   ARG  46           HD2      ARG  46  55.976  -1.416   6.090
  354   2HD   ARG  46           HD1      ARG  46  55.719  -1.237   4.343
  355    HE   ARG  46           HE       ARG  46  55.561  -3.985   5.436
  356   1HH1  ARG  46          HH11      ARG  46  54.479  -2.618   2.808
  357   2HH1  ARG  46          HH12      ARG  46  52.777  -2.752   3.105
  358   1HH2  ARG  46          HH21      ARG  46  53.154  -3.529   6.463
  359   2HH2  ARG  46          HH22      ARG  46  52.028  -3.267   5.174
  360    H    MET  47           HN       MET  47  59.400  -3.934   3.593
  361    HA   MET  47           HA       MET  47  58.382  -6.597   4.291
  362   1HB   MET  47           HB2      MET  47  59.011  -5.008   1.818
  363   2HB   MET  47           HB1      MET  47  58.744  -6.747   1.679
  364   1HG   MET  47           HG2      MET  47  56.629  -6.165   3.203
  365   2HG   MET  47           HG1      MET  47  56.825  -4.589   2.436
  366   1HE   MET  47           HE3      MET  47  57.885  -4.828  -0.146
  367   2HE   MET  47           HE2      MET  47  56.630  -5.268  -1.300
  368   3HE   MET  47           HE1      MET  47  56.293  -4.061  -0.062
  369    H    LEU  48           HN       LEU  48  61.441  -5.174   3.188
  370    HA   LEU  48           HA       LEU  48  62.766  -7.803   3.735
  371   1HB   LEU  48           HB2      LEU  48  63.085  -5.969   1.338
  372   2HB   LEU  48           HB1      LEU  48  64.126  -7.355   1.668
  373    HG   LEU  48           HG       LEU  48  61.463  -8.287   1.895
  374   1HD1  LEU  48          HD12      LEU  48  61.772  -6.144  -0.088
  375   2HD1  LEU  48          HD11      LEU  48  61.180  -7.653  -0.782
  376   3HD1  LEU  48          HD13      LEU  48  60.302  -6.887   0.542
  377   1HD2  LEU  48          HD22      LEU  48  63.765  -8.629  -0.007
  378   2HD2  LEU  48          HD21      LEU  48  63.070  -9.795   1.119
  379   3HD2  LEU  48          HD23      LEU  48  62.220  -9.394  -0.373
  380    H    GLY  49           HN       GLY  49  62.574  -5.205   5.252
  381   1HA   GLY  49           HA2      GLY  49  65.454  -4.911   5.763
  382   2HA   GLY  49           HA1      GLY  49  64.660  -3.454   5.163
  383    H    GLN  50           HN       GLN  50  63.104  -5.832   7.252
  384    HA   GLN  50           HA       GLN  50  62.244  -5.612   9.444
  385   1HB   GLN  50           HB2      GLN  50  64.372  -3.478   9.735
  386   2HB   GLN  50           HB1      GLN  50  63.734  -4.547  10.984
  387   1HG   GLN  50           HG2      GLN  50  64.723  -6.182   8.863
  388   2HG   GLN  50           HG1      GLN  50  65.966  -4.992   9.252
  389   1HE2  GLN  50          HE22      GLN  50  64.795  -7.624  12.196
  390   2HE2  GLN  50          HE21      GLN  50  63.705  -7.241  10.952
  391    H    ASN  51           HN       ASN  51  61.068  -4.002  10.843
  392    HA   ASN  51           HA       ASN  51  60.055  -1.726   9.181
  393   1HB   ASN  51           HB2      ASN  51  58.025  -1.992  10.559
  394   2HB   ASN  51           HB1      ASN  51  58.477  -3.529   9.821
  395   1HD2  ASN  51          HD22      ASN  51  58.376  -3.218  13.842
  396   2HD2  ASN  51          HD21      ASN  51  57.855  -1.963  12.825
  397    HA   PRO  52           HA       PRO  52  62.349   0.231  12.673
  398   1HB   PRO  52           HB2      PRO  52  63.487   2.199  11.149
  399   2HB   PRO  52           HB1      PRO  52  64.213   0.593  11.352
  400   1HG   PRO  52           HG2      PRO  52  62.653   1.688   9.072
  401   2HG   PRO  52           HG1      PRO  52  64.046   0.596   9.067
  402   1HD   PRO  52           HD2      PRO  52  61.456  -0.221   8.707
  403   2HD   PRO  52           HD1      PRO  52  62.750  -1.263   9.338
  404    H    THR  53           HN       THR  53  62.497   3.052  12.523
  405    HA   THR  53           HA       THR  53  59.613   3.747  12.706
  406    HB   THR  53           HB       THR  53  60.499   5.685  13.948
  407    HG1  THR  53           HG1      THR  53  62.540   6.214  13.832
  408   1HG2  THR  53          HG21      THR  53  61.192   2.893  14.585
  409   2HG2  THR  53          HG23      THR  53  62.121   4.097  15.477
  410   3HG2  THR  53          HG22      THR  53  60.360   4.099  15.565
  411    HA   PRO  54           HA       PRO  54  59.641   6.175   9.047
  412   1HB   PRO  54           HB2      PRO  54  57.932   8.196   9.744
  413   2HB   PRO  54           HB1      PRO  54  57.385   6.541   9.410
  414   1HG   PRO  54           HG2      PRO  54  57.824   7.899  12.021
  415   2HG   PRO  54           HG1      PRO  54  56.559   6.759  11.540
  416   1HD   PRO  54           HD2      PRO  54  58.732   6.060  13.038
  417   2HD   PRO  54           HD1      PRO  54  57.855   4.929  11.984
  418    H    GLU  55           HN       GLU  55  60.753   7.438  12.044
  419    HA   GLU  55           HA       GLU  55  61.565  10.068  11.015
  420   1HB   GLU  55           HB2      GLU  55  61.918   8.474  13.557
  421   2HB   GLU  55           HB1      GLU  55  62.755  10.009  13.323
  422   1HG   GLU  55           HG2      GLU  55  60.597  11.131  12.916
  423   2HG   GLU  55           HG1      GLU  55  59.755   9.597  13.144
  424    H    GLU  56           HN       GLU  56  63.219   7.036  11.968
  425    HA   GLU  56           HA       GLU  56  65.872   7.924  11.304
  426   1HB   GLU  56           HB2      GLU  56  64.426   5.372  11.863
  427   2HB   GLU  56           HB1      GLU  56  66.014   5.247  11.106
  428   1HG   GLU  56           HG2      GLU  56  66.390   7.150  13.101
  429   2HG   GLU  56           HG1      GLU  56  65.327   5.961  13.853
  430    H    LEU  57           HN       LEU  57  63.195   7.048   9.342
  431    HA   LEU  57           HA       LEU  57  64.648   5.961   7.074
  432   1HB   LEU  57           HB2      LEU  57  61.948   6.549   7.925
  433   2HB   LEU  57           HB1      LEU  57  62.191   7.117   6.273
  434    HG   LEU  57           HG       LEU  57  61.434   4.777   6.272
  435   1HD1  LEU  57          HD13      LEU  57  63.557   5.820   4.870
  436   2HD1  LEU  57          HD12      LEU  57  64.259   4.353   5.552
  437   3HD1  LEU  57          HD11      LEU  57  62.814   4.253   4.545
  438   1HD2  LEU  57          HD23      LEU  57  63.543   4.589   8.332
  439   2HD2  LEU  57          HD22      LEU  57  62.092   3.610   8.116
  440   3HD2  LEU  57          HD21      LEU  57  63.539   3.262   7.169
  441    H    GLN  58           HN       GLN  58  63.011   9.118   7.566
  442    HA   GLN  58           HA       GLN  58  64.114  10.337   5.205
  443   1HB   GLN  58           HB2      GLN  58  62.818  11.279   7.763
  444   2HB   GLN  58           HB1      GLN  58  63.383  12.437   6.559
  445   1HG   GLN  58           HG2      GLN  58  61.417  10.183   6.054
  446   2HG   GLN  58           HG1      GLN  58  61.007  11.894   6.192
  447   1HE2  GLN  58          HE22      GLN  58  62.546  10.465   2.711
  448   2HE2  GLN  58          HE21      GLN  58  62.341   9.452   4.058
  449    H    GLU  59           HN       GLU  59  65.430   9.724   8.350
  450    HA   GLU  59           HA       GLU  59  67.398  11.882   8.333
  451   1HB   GLU  59           HB2      GLU  59  66.924   9.345   9.909
  452   2HB   GLU  59           HB1      GLU  59  68.321  10.376  10.217
  453   1HG   GLU  59           HG2      GLU  59  65.432  11.296  10.283
  454   2HG   GLU  59           HG1      GLU  59  66.415  10.942  11.703
  455    H    MET  60           HN       MET  60  67.499   8.361   7.689
  456    HA   MET  60           HA       MET  60  70.301   8.247   7.065
  457   1HB   MET  60           HB2      MET  60  68.077   6.538   7.305
  458   2HB   MET  60           HB1      MET  60  68.650   6.321   5.651
  459   1HG   MET  60           HG2      MET  60  70.352   5.065   6.413
  460   2HG   MET  60           HG1      MET  60  70.942   6.443   7.341
  461   1HE   MET  60           HE3      MET  60  69.534   3.341   6.938
  462   2HE   MET  60           HE2      MET  60  69.626   2.584   8.527
  463   3HE   MET  60           HE1      MET  60  68.097   3.261   7.969
  464    H    ILE  61           HN       ILE  61  67.406   8.823   5.084
  465    HA   ILE  61           HA       ILE  61  68.739   8.733   2.526
  466    HB   ILE  61           HB       ILE  61  66.198  10.050   3.532
  467   1HG1  ILE  61          HG12      ILE  61  66.278   7.620   1.793
  468   2HG1  ILE  61          HG11      ILE  61  66.713   7.425   3.491
  469   1HG2  ILE  61          HG22      ILE  61  67.173  10.984   1.359
  470   2HG2  ILE  61          HG21      ILE  61  66.892   9.387   0.664
  471   3HG2  ILE  61          HG23      ILE  61  65.534  10.341   1.258
  472   1HD1  ILE  61          HD12      ILE  61  64.432   9.051   3.525
  473   2HD1  ILE  61          HD11      ILE  61  64.089   7.826   2.304
  474   3HD1  ILE  61          HD13      ILE  61  64.507   7.340   3.947
  475    H    ASP  62           HN       ASP  62  68.584  11.123   5.039
  476    HA   ASP  62           HA       ASP  62  68.890  13.535   3.575
  477   1HB   ASP  62           HB2      ASP  62  68.507  13.120   6.067
  478   2HB   ASP  62           HB1      ASP  62  70.241  12.822   6.189
  479    H    GLU  63           HN       GLU  63  71.522  11.636   5.118
  480    HA   GLU  63           HA       GLU  63  73.518  12.987   3.414
  481   1HB   GLU  63           HB2      GLU  63  73.647  10.884   5.598
  482   2HB   GLU  63           HB1      GLU  63  75.066  11.608   4.841
  483   1HG   GLU  63           HG2      GLU  63  74.274  13.854   5.553
  484   2HG   GLU  63           HG1      GLU  63  72.906  13.094   6.367
  485    H    VAL  64           HN       VAL  64  71.524  10.278   3.109
  486    HA   VAL  64           HA       VAL  64  73.481   8.620   1.633
  487    HB   VAL  64           HB       VAL  64  70.589   8.397   2.478
  488   1HG1  VAL  64          HG13      VAL  64  72.024   6.957   0.330
  489   2HG1  VAL  64          HG12      VAL  64  71.196   5.922   1.495
  490   3HG1  VAL  64          HG11      VAL  64  70.290   7.142   0.600
  491   1HG2  VAL  64          HG23      VAL  64  72.503   7.958   4.080
  492   2HG2  VAL  64          HG22      VAL  64  71.419   6.587   3.844
  493   3HG2  VAL  64          HG21      VAL  64  72.984   6.623   3.033
  494    H    ASP  65           HN       ASP  65  70.628  10.641   0.987
  495    HA   ASP  65           HA       ASP  65  70.873  10.094  -1.930
  496   1HB   ASP  65           HB2      ASP  65  68.813  10.982  -0.006
  497   2HB   ASP  65           HB1      ASP  65  68.753  11.796  -1.570
  498    H    GLU  66           HN       GLU  66  73.053  11.549  -1.007
  499    HA   GLU  66           HA       GLU  66  72.679  14.411  -1.059
  500   1HB   GLU  66           HB2      GLU  66  74.620  12.861  -0.216
  501   2HB   GLU  66           HB1      GLU  66  75.195  12.974  -1.880
  502   1HG   GLU  66           HG2      GLU  66  74.672  15.588  -1.391
  503   2HG   GLU  66           HG1      GLU  66  75.103  15.055   0.233
  504    H    ASP  67           HN       ASP  67  72.915  11.973  -3.532
  505    HA   ASP  67           HA       ASP  67  73.098  14.119  -5.622
  506   1HB   ASP  67           HB2      ASP  67  75.050  12.749  -5.705
  507   2HB   ASP  67           HB1      ASP  67  74.113  11.274  -5.462
  508    H    GLY  68           HN       GLY  68  71.156  11.676  -4.236
  509   1HA   GLY  68           HA2      GLY  68  69.648  11.063  -6.681
  510   2HA   GLY  68           HA1      GLY  68  69.270  10.486  -5.057
  511    H    SER  69           HN       SER  69  69.443  13.272  -3.971
  512    HA   SER  69           HA       SER  69  68.011  15.130  -3.649
  513   1HB   SER  69           HB2      SER  69  66.860  14.460  -6.357
  514   2HB   SER  69           HB1      SER  69  67.086  16.047  -5.625
  515    HG   SER  69           HG       SER  69  68.659  15.217  -7.301
  516    H    GLY  70           HN       GLY  70  67.204  12.270  -3.037
  517   1HA   GLY  70           HA2      GLY  70  65.134  11.913  -1.692
  518   2HA   GLY  70           HA1      GLY  70  64.251  12.741  -2.974
  519    H    THR  71           HN       THR  71  66.774  10.624  -3.988
  520    HA   THR  71           HA       THR  71  64.813   8.419  -4.489
  521    HB   THR  71           HB       THR  71  65.795   8.347  -6.829
  522    HG1  THR  71           HG1      THR  71  67.643   9.677  -6.074
  523   1HG2  THR  71          HG21      THR  71  64.168  10.605  -5.731
  524   2HG2  THR  71          HG23      THR  71  64.665  10.673  -7.421
  525   3HG2  THR  71          HG22      THR  71  63.694   9.319  -6.842
  526    H    VAL  72           HN       VAL  72  65.732   6.395  -4.231
  527    HA   VAL  72           HA       VAL  72  68.662   6.306  -3.628
  528    HB   VAL  72           HB       VAL  72  67.830   4.038  -2.585
  529   1HG1  VAL  72          HG13      VAL  72  67.407   6.828  -1.557
  530   2HG1  VAL  72          HG12      VAL  72  67.010   5.432  -0.553
  531   3HG1  VAL  72          HG11      VAL  72  68.663   5.665  -1.125
  532   1HG2  VAL  72          HG21      VAL  72  65.515   4.470  -3.706
  533   2HG2  VAL  72          HG23      VAL  72  65.546   3.881  -2.044
  534   3HG2  VAL  72          HG22      VAL  72  65.255   5.590  -2.368
  535    H    ASP  73           HN       ASP  73  69.770   4.283  -4.262
  536    HA   ASP  73           HA       ASP  73  68.596   2.974  -6.686
  537   1HB   ASP  73           HB2      ASP  73  70.724   4.832  -6.537
  538   2HB   ASP  73           HB1      ASP  73  71.480   3.257  -6.789
  539    H    PHE  74           HN       PHE  74  70.186   0.975  -7.188
  540    HA   PHE  74           HA       PHE  74  69.989  -0.864  -5.044
  541   1HB   PHE  74           HB2      PHE  74  70.645  -0.887  -7.715
  542   2HB   PHE  74           HB1      PHE  74  72.194  -1.279  -6.967
  543    HD1  PHE  74           HD2      PHE  74  72.108  -3.080  -5.046
  544    HD2  PHE  74           HD1      PHE  74  69.084  -2.594  -8.059
  545    HE1  PHE  74           HE2      PHE  74  71.325  -5.398  -4.634
  546    HE2  PHE  74           HE1      PHE  74  68.301  -4.910  -7.647
  547    HZ   PHE  74           HZ       PHE  74  69.422  -6.313  -5.935
  548    H    ASP  75           HN       ASP  75  72.294   1.647  -5.586
  549    HA   ASP  75           HA       ASP  75  74.403   0.419  -3.928
  550   1HB   ASP  75           HB2      ASP  75  74.746   1.895  -5.963
  551   2HB   ASP  75           HB1      ASP  75  74.134   3.243  -5.002
  552    H    GLU  76           HN       GLU  76  71.941   2.977  -3.649
  553    HA   GLU  76           HA       GLU  76  72.815   3.696  -0.929
  554   1HB   GLU  76           HB2      GLU  76  70.345   4.504  -2.494
  555   2HB   GLU  76           HB1      GLU  76  71.081   5.374  -1.147
  556   1HG   GLU  76           HG2      GLU  76  73.000   5.955  -2.434
  557   2HG   GLU  76           HG1      GLU  76  72.587   4.802  -3.703
  558    H    PHE  77           HN       PHE  77  69.878   2.263  -2.418
  559    HA   PHE  77           HA       PHE  77  68.344   1.766  -0.143
  560   1HB   PHE  77           HB2      PHE  77  67.623   1.295  -2.422
  561   2HB   PHE  77           HB1      PHE  77  68.861   0.050  -2.593
  562    HD1  PHE  77           HD2      PHE  77  66.908   0.624   0.494
  563    HD2  PHE  77           HD1      PHE  77  67.382  -1.813  -3.011
  564    HE1  PHE  77           HE2      PHE  77  65.356  -1.057   1.452
  565    HE2  PHE  77           HE1      PHE  77  65.831  -3.494  -2.053
  566    HZ   PHE  77           HZ       PHE  77  64.818  -3.117   0.179
  567    H    LEU  78           HN       LEU  78  70.846  -0.423  -1.500
  568    HA   LEU  78           HA       LEU  78  70.728  -2.432   0.487
  569   1HB   LEU  78           HB2      LEU  78  72.694  -1.376  -1.490
  570   2HB   LEU  78           HB1      LEU  78  73.324  -2.457  -0.245
  571    HG   LEU  78           HG       LEU  78  71.579  -4.120  -0.831
  572   1HD1  LEU  78          HD12      LEU  78  70.799  -1.917  -2.713
  573   2HD1  LEU  78          HD11      LEU  78  70.514  -3.591  -3.187
  574   3HD1  LEU  78          HD13      LEU  78  69.772  -2.951  -1.721
  575   1HD2  LEU  78          HD23      LEU  78  73.470  -3.104  -2.950
  576   2HD2  LEU  78          HD22      LEU  78  73.628  -4.530  -1.926
  577   3HD2  LEU  78          HD21      LEU  78  72.460  -4.519  -3.247
  578    H    VAL  79           HN       VAL  79  72.779   0.506   0.377
  579    HA   VAL  79           HA       VAL  79  74.275   0.185   2.713
  580    HB   VAL  79           HB       VAL  79  72.881   2.676   1.673
  581   1HG1  VAL  79          HG13      VAL  79  75.127   2.199   3.620
  582   2HG1  VAL  79          HG12      VAL  79  75.078   3.684   2.670
  583   3HG1  VAL  79          HG11      VAL  79  73.751   3.292   3.764
  584   1HG2  VAL  79          HG23      VAL  79  74.549   1.081   0.255
  585   2HG2  VAL  79          HG22      VAL  79  74.505   2.833   0.061
  586   3HG2  VAL  79          HG21      VAL  79  75.734   2.091   1.084
  587    H    MET  80           HN       MET  80  70.888   1.173   2.382
  588    HA   MET  80           HA       MET  80  70.481   1.820   5.178
  589   1HB   MET  80           HB2      MET  80  68.968   1.554   2.662
  590   2HB   MET  80           HB1      MET  80  68.024   1.176   4.103
  591   1HG   MET  80           HG2      MET  80  68.952   3.357   5.088
  592   2HG   MET  80           HG1      MET  80  69.481   3.741   3.450
  593   1HE   MET  80           HE2      MET  80  68.462   4.883   2.027
  594   2HE   MET  80           HE1      MET  80  67.440   3.668   1.261
  595   3HE   MET  80           HE3      MET  80  66.751   5.216   1.769
  596    H    MET  81           HN       MET  81  70.599  -1.138   3.365
  597    HA   MET  81           HA       MET  81  68.982  -2.753   5.168
  598   1HB   MET  81           HB2      MET  81  70.409  -2.957   2.676
  599   2HB   MET  81           HB1      MET  81  70.877  -4.305   3.715
  600   1HG   MET  81           HG2      MET  81  68.955  -5.099   2.595
  601   2HG   MET  81           HG1      MET  81  68.344  -4.578   4.164
  602   1HE   MET  81           HE2      MET  81  66.376  -4.205   4.091
  603   2HE   MET  81           HE1      MET  81  65.535  -2.790   3.462
  604   3HE   MET  81           HE3      MET  81  65.599  -4.281   2.512
  605    H    VAL  82           HN       VAL  82  72.516  -2.659   4.542
  606    HA   VAL  82           HA       VAL  82  73.206  -4.254   6.838
  607    HB   VAL  82           HB       VAL  82  75.481  -3.509   6.255
  608   1HG1  VAL  82          HG11      VAL  82  73.633  -4.026   3.911
  609   2HG1  VAL  82          HG13      VAL  82  75.392  -4.053   3.783
  610   3HG1  VAL  82          HG12      VAL  82  74.565  -5.216   4.820
  611   1HG2  VAL  82          HG23      VAL  82  74.100  -1.158   5.463
  612   2HG2  VAL  82          HG22      VAL  82  75.839  -1.449   5.414
  613   3HG2  VAL  82          HG21      VAL  82  74.842  -1.822   4.008
  614    H    ARG  83           HN       ARG  83  72.101  -1.052   6.590
  615    HA   ARG  83           HA       ARG  83  73.638   0.133   8.763
  616   1HB   ARG  83           HB2      ARG  83  72.443   1.265   6.806
  617   2HB   ARG  83           HB1      ARG  83  70.935   0.952   7.667
  618   1HG   ARG  83           HG2      ARG  83  71.515   3.122   8.377
  619   2HG   ARG  83           HG1      ARG  83  72.110   2.098   9.685
  620   1HD   ARG  83           HD2      ARG  83  74.250   2.129   7.920
  621   2HD   ARG  83           HD1      ARG  83  73.625   3.788   7.832
  622    HE   ARG  83           HE       ARG  83  73.584   3.508  10.473
  623   1HH1  ARG  83          HH21      ARG  83  75.393   1.030   9.470
  624   2HH1  ARG  83          HH22      ARG  83  76.925   1.605  10.037
  625   1HH2  ARG  83          HH11      ARG  83  75.781   4.815  10.679
  626   2HH2  ARG  83          HH12      ARG  83  77.145   3.748  10.722
  627    H    CYS  84           HN       CYS  84  70.405  -1.351   8.465
  628    HA   CYS  84           HA       CYS  84  69.978  -1.049  11.393
  629   1HB   CYS  84           HB2      CYS  84  68.312  -1.802   8.990
  630   2HB   CYS  84           HB1      CYS  84  67.709  -2.061  10.626
  631    HG   CYS  84           HG       CYS  84  68.705   0.798   9.955
  632    H    MET  85           HN       MET  85  68.570  -3.758   9.725
  633    HA   MET  85           HA       MET  85  68.682  -6.059  10.304
  634   1HB   MET  85           HB2      MET  85  71.496  -5.111   9.728
  635   2HB   MET  85           HB1      MET  85  71.124  -6.818   9.973
  636   1HG   MET  85           HG2      MET  85  69.551  -6.799   8.123
  637   2HG   MET  85           HG1      MET  85  69.739  -5.056   7.934
  638   1HE   MET  85           HE2      MET  85  69.745  -6.608   5.720
  639   2HE   MET  85           HE1      MET  85  71.251  -6.796   4.824
  640   3HE   MET  85           HE3      MET  85  70.699  -8.077   5.910
  641    H    LYS  86           HN       LYS  86  68.273  -4.780  12.658
  642    HA   LYS  86           HA       LYS  86  70.143  -4.712  14.703
  643   1HB   LYS  86           HB2      LYS  86  67.249  -5.325  14.426
  644   2HB   LYS  86           HB1      LYS  86  67.985  -5.770  15.966
  645   1HG   LYS  86           HG2      LYS  86  68.711  -3.528  16.375
  646   2HG   LYS  86           HG1      LYS  86  68.341  -3.037  14.721
  647   1HD   LYS  86           HD2      LYS  86  65.973  -3.281  15.098
  648   2HD   LYS  86           HD1      LYS  86  66.249  -4.026  16.673
  649   1HE   LYS  86           HE2      LYS  86  66.153  -1.958  17.596
  650   2HE   LYS  86           HE1      LYS  86  67.632  -1.542  16.706
  651   1HZ   LYS  86           HZ1      LYS  86  65.917  -1.408  14.731
  652   2HZ   LYS  86           HZ3      LYS  86  64.834  -1.057  15.988
  653   3HZ   LYS  86           HZ2      LYS  86  66.199  -0.075  15.745
  654    H    ASP  87           HN       ASP  87  68.145  -7.613  13.995
  655    HA   ASP  87           HA       ASP  87  70.312  -9.279  15.225
  656   1HB   ASP  87           HB2      ASP  87  67.365  -9.838  14.754
  657   2HB   ASP  87           HB1      ASP  87  68.481 -10.863  15.656
  658    H    ASP  88           HN       ASP  88  70.403  -8.344  12.440
  659    HA   ASP  88           HA       ASP  88  70.619  -9.203  10.239
  660   1HB   ASP  88           HB2      ASP  88  71.664 -11.129  12.254
  661   2HB   ASP  88           HB1      ASP  88  71.520 -11.728  10.601
  662    H    SER  89           HN       SER  89  68.091  -9.146  10.240
  663    HA   SER  89           HA       SER  89  67.145 -11.787   9.320
  664   1HB   SER  89           HB2      SER  89  65.447 -11.997  10.977
  665   2HB   SER  89           HB1      SER  89  66.891 -11.538  11.876
  666    HG   SER  89           HG       SER  89  65.434 -10.109  12.573
   
  No H/Q in entry =         666
  Start of MODEL   17
    1   1H    MET   1           HT3      MET   1  90.321  -2.231   4.232
    2   2H    MET   1           HT2      MET   1  90.666  -3.457   5.357
    3   3H    MET   1           HT1      MET   1  90.054  -3.856   3.823
    4    HA   MET   1           HA       MET   1  87.919  -3.072   4.317
    5   1HB   MET   1           HB2      MET   1  89.319  -4.952   5.882
    6   2HB   MET   1           HB1      MET   1  88.349  -4.020   7.026
    7   1HG   MET   1           HG2      MET   1  86.697  -4.507   4.775
    8   2HG   MET   1           HG1      MET   1  87.481  -6.037   5.166
    9   1HE   MET   1           HE1      MET   1  84.832  -6.513   5.338
   10   2HE   MET   1           HE3      MET   1  85.853  -7.572   6.321
   11   3HE   MET   1           HE2      MET   1  84.352  -6.927   6.982
   12    H    ASP   2           HN       ASP   2  87.904  -0.727   4.399
   13    HA   ASP   2           HA       ASP   2  88.147   0.396   7.173
   14   1HB   ASP   2           HB2      ASP   2  89.282   1.126   4.584
   15   2HB   ASP   2           HB1      ASP   2  88.415   2.475   5.320
   16    H    ASP   3           HN       ASP   3  86.316   0.304   4.156
   17    HA   ASP   3           HA       ASP   3  84.294   2.206   5.193
   18   1HB   ASP   3           HB2      ASP   3  84.829   0.732   2.611
   19   2HB   ASP   3           HB1      ASP   3  83.310   1.591   2.868
   20    H    ILE   4           HN       ILE   4  82.220   1.561   5.839
   21    HA   ILE   4           HA       ILE   4  81.845  -1.358   6.291
   22    HB   ILE   4           HB       ILE   4  80.324  -0.646   8.000
   23   1HG1  ILE   4          HG12      ILE   4  80.389   2.012   6.544
   24   2HG1  ILE   4          HG11      ILE   4  78.995   0.965   6.812
   25   1HG2  ILE   4          HG21      ILE   4  82.876  -0.072   8.188
   26   2HG2  ILE   4          HG23      ILE   4  82.327   1.598   8.047
   27   3HG2  ILE   4          HG22      ILE   4  81.757   0.592   9.379
   28   1HD1  ILE   4          HD12      ILE   4  79.810   1.353   9.376
   29   2HD1  ILE   4          HD11      ILE   4  80.292   2.888   8.654
   30   3HD1  ILE   4          HD13      ILE   4  78.609   2.365   8.573
   31    H    TYR   5           HN       TYR   5  80.653   1.274   4.359
   32    HA   TYR   5           HA       TYR   5  78.089  -0.012   3.712
   33   1HB   TYR   5           HB2      TYR   5  79.499   2.299   2.349
   34   2HB   TYR   5           HB1      TYR   5  77.766   1.974   2.393
   35    HD1  TYR   5           HD1      TYR   5  76.487   2.250   4.506
   36    HD2  TYR   5           HD2      TYR   5  80.629   3.343   4.204
   37    HE1  TYR   5           HE1      TYR   5  76.291   3.570   6.596
   38    HE2  TYR   5           HE2      TYR   5  80.434   4.663   6.294
   39    HH   TYR   5           HH       TYR   5  78.041   5.843   7.504
   40    H    LYS   6           HN       LYS   6  80.835   1.028   1.644
   41    HA   LYS   6           HA       LYS   6  80.244  -0.354  -0.685
   42   1HB   LYS   6           HB2      LYS   6  82.469   0.906   0.558
   43   2HB   LYS   6           HB1      LYS   6  83.046  -0.632  -0.087
   44   1HG   LYS   6           HG2      LYS   6  82.486  -0.074  -2.285
   45   2HG   LYS   6           HG1      LYS   6  81.289   1.119  -1.781
   46   1HD   LYS   6           HD2      LYS   6  84.186   1.533  -1.093
   47   2HD   LYS   6           HD1      LYS   6  83.601   1.941  -2.706
   48   1HE   LYS   6           HE2      LYS   6  81.725   2.967  -0.788
   49   2HE   LYS   6           HE1      LYS   6  83.356   3.506  -0.340
   50   1HZ   LYS   6           HZ1      LYS   6  83.601   3.870  -2.874
   51   2HZ   LYS   6           HZ3      LYS   6  81.905   3.907  -2.872
   52   3HZ   LYS   6           HZ2      LYS   6  82.779   5.035  -1.949
   53    H    ALA   7           HN       ALA   7  81.913  -1.673   2.187
   54    HA   ALA   7           HA       ALA   7  82.327  -4.309   1.086
   55   1HB   ALA   7           HB2      ALA   7  82.577  -2.855   3.644
   56   2HB   ALA   7           HB1      ALA   7  82.285  -4.586   3.821
   57   3HB   ALA   7           HB3      ALA   7  83.679  -4.015   2.902
   58    H    ALA   8           HN       ALA   8  79.520  -2.713   2.243
   59    HA   ALA   8           HA       ALA   8  78.126  -5.057   3.279
   60   1HB   ALA   8           HB1      ALA   8  77.867  -2.327   3.418
   61   2HB   ALA   8           HB3      ALA   8  76.583  -2.743   2.282
   62   3HB   ALA   8           HB2      ALA   8  76.606  -3.467   3.891
   63    H    VAL   9           HN       VAL   9  78.424  -3.464   0.143
   64    HA   VAL   9           HA       VAL   9  76.228  -5.004  -1.060
   65    HB   VAL   9           HB       VAL   9  78.319  -3.034  -1.992
   66   1HG1  VAL   9          HG13      VAL   9  77.995  -4.697  -3.793
   67   2HG1  VAL   9          HG12      VAL   9  76.250  -4.455  -3.698
   68   3HG1  VAL   9          HG11      VAL   9  77.296  -3.139  -4.232
   69   1HG2  VAL   9          HG21      VAL   9  76.140  -2.426  -0.727
   70   2HG2  VAL   9          HG23      VAL   9  76.487  -1.553  -2.219
   71   3HG2  VAL   9          HG22      VAL   9  75.314  -2.870  -2.219
   72    H    GLU  10           HN       GLU  10  79.787  -5.070  -1.054
   73    HA   GLU  10           HA       GLU  10  80.147  -7.062  -3.072
   74   1HB   GLU  10           HB2      GLU  10  81.727  -6.241  -0.619
   75   2HB   GLU  10           HB1      GLU  10  82.353  -7.345  -1.844
   76   1HG   GLU  10           HG2      GLU  10  82.351  -5.683  -3.518
   77   2HG   GLU  10           HG1      GLU  10  81.251  -4.645  -2.609
   78    H    GLN  11           HN       GLN  11  79.776  -7.349   0.472
   79    HA   GLN  11           HA       GLN  11  80.186 -10.114   0.782
   80   1HB   GLN  11           HB2      GLN  11  78.414  -8.060   2.101
   81   2HB   GLN  11           HB1      GLN  11  78.434  -9.729   2.671
   82   1HG   GLN  11           HG2      GLN  11  81.009  -9.469   2.728
   83   2HG   GLN  11           HG1      GLN  11  80.697  -7.736   2.629
   84   1HE2  GLN  11          HE22      GLN  11  79.913  -7.498   6.045
   85   2HE2  GLN  11          HE21      GLN  11  80.388  -6.718   4.614
   86    H    LEU  12           HN       LEU  12  77.496  -8.426  -0.690
   87    HA   LEU  12           HA       LEU  12  75.735 -10.796  -0.633
   88   1HB   LEU  12           HB2      LEU  12  75.467  -8.104  -2.009
   89   2HB   LEU  12           HB1      LEU  12  74.165  -9.251  -1.692
   90    HG   LEU  12           HG       LEU  12  75.855  -7.953   0.465
   91   1HD1  LEU  12          HD13      LEU  12  74.177  -6.524  -0.996
   92   2HD1  LEU  12          HD12      LEU  12  72.958  -7.334  -0.010
   93   3HD1  LEU  12          HD11      LEU  12  74.200  -6.345   0.758
   94   1HD2  LEU  12          HD22      LEU  12  74.300 -10.258   0.521
   95   2HD2  LEU  12          HD21      LEU  12  74.765  -9.299   1.926
   96   3HD2  LEU  12          HD23      LEU  12  73.211  -9.016   1.140
   97    H    THR  13           HN       THR  13  75.189 -12.006  -2.503
   98    HA   THR  13           HA       THR  13  77.106 -11.733  -4.780
   99    HB   THR  13           HB       THR  13  76.583 -14.098  -5.137
  100    HG1  THR  13           HG1      THR  13  74.559 -14.468  -4.630
  101   1HG2  THR  13          HG21      THR  13  78.184 -13.363  -3.294
  102   2HG2  THR  13          HG23      THR  13  76.870 -13.670  -2.159
  103   3HG2  THR  13          HG22      THR  13  77.522 -14.989  -3.130
  104    H    GLU  14           HN       GLU  14  76.069 -12.474  -6.948
  105    HA   GLU  14           HA       GLU  14  73.911 -10.707  -7.632
  106   1HB   GLU  14           HB2      GLU  14  75.833 -11.846  -9.009
  107   2HB   GLU  14           HB1      GLU  14  74.675 -13.164  -9.197
  108   1HG   GLU  14           HG2      GLU  14  73.003 -11.346  -9.942
  109   2HG   GLU  14           HG1      GLU  14  74.415 -10.302 -10.117
  110    H    GLU  15           HN       GLU  15  74.030 -14.157  -6.809
  111    HA   GLU  15           HA       GLU  15  71.337 -14.815  -7.562
  112   1HB   GLU  15           HB2      GLU  15  73.637 -16.021  -6.421
  113   2HB   GLU  15           HB1      GLU  15  72.311 -16.314  -5.294
  114   1HG   GLU  15           HG2      GLU  15  71.057 -16.823  -7.646
  115   2HG   GLU  15           HG1      GLU  15  72.700 -17.317  -8.058
  116    H    GLN  16           HN       GLN  16  72.747 -13.392  -4.648
  117    HA   GLN  16           HA       GLN  16  70.246 -13.611  -3.121
  118   1HB   GLN  16           HB2      GLN  16  71.997 -13.702  -1.650
  119   2HB   GLN  16           HB1      GLN  16  73.083 -12.864  -2.755
  120   1HG   GLN  16           HG2      GLN  16  72.527 -10.783  -1.945
  121   2HG   GLN  16           HG1      GLN  16  70.889 -11.269  -1.508
  122   1HE2  GLN  16          HE22      GLN  16  71.835 -11.700   1.849
  123   2HE2  GLN  16          HE21      GLN  16  70.653 -11.217   0.730
  124    H    LYS  17           HN       LYS  17  72.116 -11.074  -4.793
  125    HA   LYS  17           HA       LYS  17  70.488  -8.846  -4.037
  126   1HB   LYS  17           HB2      LYS  17  72.436  -9.557  -6.196
  127   2HB   LYS  17           HB1      LYS  17  71.486  -8.084  -6.394
  128   1HG   LYS  17           HG2      LYS  17  72.439  -7.055  -4.547
  129   2HG   LYS  17           HG1      LYS  17  72.809  -8.587  -3.754
  130   1HD   LYS  17           HD2      LYS  17  74.926  -7.894  -4.460
  131   2HD   LYS  17           HD1      LYS  17  74.426  -8.937  -5.793
  132   1HE   LYS  17           HE2      LYS  17  74.345  -7.196  -7.260
  133   2HE   LYS  17           HE1      LYS  17  73.535  -6.139  -6.086
  134   1HZ   LYS  17           HZ1      LYS  17  76.406  -6.904  -5.977
  135   2HZ   LYS  17           HZ3      LYS  17  75.829  -5.423  -6.568
  136   3HZ   LYS  17           HZ2      LYS  17  75.606  -5.826  -4.933
  137    H    ASN  18           HN       ASN  18  69.940 -11.456  -6.257
  138    HA   ASN  18           HA       ASN  18  68.163 -10.258  -8.129
  139   1HB   ASN  18           HB2      ASN  18  68.903 -12.916  -7.113
  140   2HB   ASN  18           HB1      ASN  18  67.241 -12.837  -7.701
  141   1HD2  ASN  18          HD22      ASN  18  70.000 -13.286 -10.440
  142   2HD2  ASN  18          HD21      ASN  18  70.051 -13.849  -8.839
  143    H    GLU  19           HN       GLU  19  67.514 -11.741  -4.942
  144    HA   GLU  19           HA       GLU  19  64.676 -11.472  -4.964
  145   1HB   GLU  19           HB2      GLU  19  65.846 -12.838  -3.350
  146   2HB   GLU  19           HB1      GLU  19  66.766 -11.450  -2.767
  147   1HG   GLU  19           HG2      GLU  19  64.077 -10.679  -2.540
  148   2HG   GLU  19           HG1      GLU  19  64.122 -12.350  -1.976
  149    H    PHE  20           HN       PHE  20  67.185  -9.279  -3.642
  150    HA   PHE  20           HA       PHE  20  65.439  -7.224  -2.732
  151   1HB   PHE  20           HB2      PHE  20  68.296  -7.580  -3.461
  152   2HB   PHE  20           HB1      PHE  20  67.717  -5.915  -3.430
  153    HD1  PHE  20           HD1      PHE  20  65.694  -5.965  -1.310
  154    HD2  PHE  20           HD2      PHE  20  69.537  -7.876  -1.485
  155    HE1  PHE  20           HE1      PHE  20  65.802  -5.972   1.166
  156    HE2  PHE  20           HE2      PHE  20  69.646  -7.883   0.993
  157    HZ   PHE  20           HZ       PHE  20  67.778  -6.930   2.318
  158    H    LYS  21           HN       LYS  21  67.039  -7.681  -5.894
  159    HA   LYS  21           HA       LYS  21  66.182  -5.270  -7.134
  160   1HB   LYS  21           HB2      LYS  21  67.865  -7.046  -7.883
  161   2HB   LYS  21           HB1      LYS  21  66.480  -7.982  -8.449
  162   1HG   LYS  21           HG2      LYS  21  65.799  -5.822  -9.710
  163   2HG   LYS  21           HG1      LYS  21  67.462  -5.304  -9.427
  164   1HD   LYS  21           HD2      LYS  21  68.322  -7.274 -10.569
  165   2HD   LYS  21           HD1      LYS  21  66.690  -7.920 -10.752
  166   1HE   LYS  21           HE2      LYS  21  67.555  -5.252 -11.915
  167   2HE   LYS  21           HE1      LYS  21  67.558  -6.771 -12.831
  168   1HZ   LYS  21           HZ3      LYS  21  65.192  -7.037 -11.979
  169   2HZ   LYS  21           HZ2      LYS  21  65.261  -5.386 -11.582
  170   3HZ   LYS  21           HZ1      LYS  21  65.440  -5.883 -13.197
  171    H    ALA  22           HN       ALA  22  64.539  -8.377  -6.681
  172    HA   ALA  22           HA       ALA  22  62.274  -7.709  -8.396
  173   1HB   ALA  22           HB3      ALA  22  62.698  -9.800  -6.235
  174   2HB   ALA  22           HB2      ALA  22  61.380  -9.807  -7.406
  175   3HB   ALA  22           HB1      ALA  22  63.046 -10.010  -7.951
  176    H    ALA  23           HN       ALA  23  63.218  -6.846  -5.220
  177    HA   ALA  23           HA       ALA  23  60.392  -6.213  -4.447
  178   1HB   ALA  23           HB2      ALA  23  62.959  -6.778  -2.968
  179   2HB   ALA  23           HB1      ALA  23  61.622  -5.962  -2.159
  180   3HB   ALA  23           HB3      ALA  23  61.400  -7.586  -2.811
  181    H    PHE  24           HN       PHE  24  63.231  -4.809  -5.640
  182    HA   PHE  24           HA       PHE  24  62.657  -2.160  -4.380
  183   1HB   PHE  24           HB2      PHE  24  64.923  -2.837  -4.120
  184   2HB   PHE  24           HB1      PHE  24  65.015  -3.434  -5.776
  185    HD1  PHE  24           HD2      PHE  24  64.823  -1.742  -7.689
  186    HD2  PHE  24           HD1      PHE  24  65.494  -0.601  -3.602
  187    HE1  PHE  24           HE2      PHE  24  65.647   0.473  -8.443
  188    HE2  PHE  24           HE1      PHE  24  66.317   1.613  -4.356
  189    HZ   PHE  24           HZ       PHE  24  66.393   2.150  -6.776
  190    H    ASP  25           HN       ASP  25  63.040  -3.787  -7.520
  191    HA   ASP  25           HA       ASP  25  62.737  -1.473  -9.182
  192   1HB   ASP  25           HB2      ASP  25  63.107  -4.261  -9.406
  193   2HB   ASP  25           HB1      ASP  25  61.636  -3.902 -10.312
  194    H    ILE  26           HN       ILE  26  60.464  -3.250  -7.274
  195    HA   ILE  26           HA       ILE  26  58.079  -2.675  -8.817
  196    HB   ILE  26           HB       ILE  26  58.657  -3.461  -5.954
  197   1HG1  ILE  26          HG12      ILE  26  57.793  -4.919  -8.463
  198   2HG1  ILE  26          HG11      ILE  26  59.242  -5.196  -7.497
  199   1HG2  ILE  26          HG22      ILE  26  56.002  -3.254  -7.409
  200   2HG2  ILE  26          HG21      ILE  26  56.230  -4.041  -5.847
  201   3HG2  ILE  26          HG23      ILE  26  56.504  -2.307  -6.009
  202   1HD1  ILE  26          HD12      ILE  26  57.259  -5.508  -5.629
  203   2HD1  ILE  26          HD11      ILE  26  56.496  -6.164  -7.077
  204   3HD1  ILE  26          HD13      ILE  26  58.024  -6.832  -6.507
  205    H    PHE  27           HN       PHE  27  60.119  -0.618  -7.106
  206    HA   PHE  27           HA       PHE  27  57.878   1.334  -6.694
  207   1HB   PHE  27           HB2      PHE  27  60.261   0.720  -4.920
  208   2HB   PHE  27           HB1      PHE  27  59.123   2.037  -4.640
  209    HD1  PHE  27           HD1      PHE  27  56.724   1.542  -4.155
  210    HD2  PHE  27           HD2      PHE  27  59.683  -1.560  -4.431
  211    HE1  PHE  27           HE1      PHE  27  55.181  -0.030  -3.018
  212    HE2  PHE  27           HE2      PHE  27  58.138  -3.133  -3.294
  213    HZ   PHE  27           HZ       PHE  27  55.888  -2.368  -2.587
  214    H    VAL  28           HN       VAL  28  59.770   1.063  -8.964
  215    HA   VAL  28           HA       VAL  28  61.601   3.379  -8.588
  216    HB   VAL  28           HB       VAL  28  61.215   1.543 -10.970
  217   1HG1  VAL  28          HG11      VAL  28  62.905   3.808 -10.386
  218   2HG1  VAL  28          HG13      VAL  28  63.893   2.366 -10.613
  219   3HG1  VAL  28          HG12      VAL  28  62.779   2.879 -11.879
  220   1HG2  VAL  28          HG23      VAL  28  63.018   1.251  -8.547
  221   2HG2  VAL  28          HG22      VAL  28  61.689   0.182  -8.996
  222   3HG2  VAL  28          HG21      VAL  28  63.133   0.264 -10.004
  223    H    LEU  29           HN       LEU  29  58.523   3.441  -8.932
  224    HA   LEU  29           HA       LEU  29  57.927   4.574 -11.507
  225   1HB   LEU  29           HB2      LEU  29  55.882   5.355 -10.258
  226   2HB   LEU  29           HB1      LEU  29  56.236   3.642 -10.024
  227    HG   LEU  29           HG       LEU  29  57.623   5.323  -8.082
  228   1HD1  LEU  29          HD11      LEU  29  55.442   6.609  -8.567
  229   2HD1  LEU  29          HD13      LEU  29  54.615   5.234  -7.835
  230   3HD1  LEU  29          HD12      LEU  29  55.762   6.179  -6.886
  231   1HD2  LEU  29          HD21      LEU  29  56.871   2.731  -8.261
  232   2HD2  LEU  29          HD23      LEU  29  57.179   3.529  -6.718
  233   3HD2  LEU  29          HD22      LEU  29  55.525   3.361  -7.310
  234    H    GLY  30           HN       GLY  30  59.413   6.252 -12.018
  235   1HA   GLY  30           HA2      GLY  30  59.672   8.650 -12.123
  236   2HA   GLY  30           HA1      GLY  30  58.993   8.767 -10.498
  237    H    ALA  31           HN       ALA  31  61.898   8.431 -12.334
  238    HA   ALA  31           HA       ALA  31  63.580   9.132 -10.108
  239   1HB   ALA  31           HB3      ALA  31  63.063   6.256 -10.737
  240   2HB   ALA  31           HB2      ALA  31  64.709   6.707 -10.291
  241   3HB   ALA  31           HB1      ALA  31  63.377   7.022  -9.179
  242    H    GLU  32           HN       GLU  32  65.941   8.964 -10.748
  243    HA   GLU  32           HA       GLU  32  66.577  10.083 -13.194
  244   1HB   GLU  32           HB2      GLU  32  68.095   9.725 -11.263
  245   2HB   GLU  32           HB1      GLU  32  68.161   8.004 -11.648
  246   1HG   GLU  32           HG2      GLU  32  70.122   9.219 -12.558
  247   2HG   GLU  32           HG1      GLU  32  69.140   8.513 -13.842
  248    H    ASP  33           HN       ASP  33  66.579   6.563 -12.497
  249    HA   ASP  33           HA       ASP  33  65.473   5.774 -14.999
  250   1HB   ASP  33           HB2      ASP  33  68.208   6.683 -15.040
  251   2HB   ASP  33           HB1      ASP  33  68.158   4.970 -15.459
  252    H    GLY  34           HN       GLY  34  65.442   4.961 -12.204
  253   1HA   GLY  34           HA2      GLY  34  65.048   2.340 -12.080
  254   2HA   GLY  34           HA1      GLY  34  66.806   2.323 -12.223
  255    H    CYS  35           HN       CYS  35  64.842   4.688 -10.451
  256    HA   CYS  35           HA       CYS  35  66.022   3.644  -7.897
  257   1HB   CYS  35           HB2      CYS  35  65.623   6.555  -8.647
  258   2HB   CYS  35           HB1      CYS  35  66.533   5.917  -7.277
  259    HG   CYS  35           HG       CYS  35  67.774   4.789  -9.734
  260    H    ILE  36           HN       ILE  36  64.701   4.222  -5.976
  261    HA   ILE  36           HA       ILE  36  61.812   4.560  -6.700
  262    HB   ILE  36           HB       ILE  36  61.395   3.286  -4.667
  263   1HG1  ILE  36          HG12      ILE  36  64.370   3.088  -4.209
  264   2HG1  ILE  36          HG11      ILE  36  63.439   4.413  -3.510
  265   1HG2  ILE  36          HG21      ILE  36  63.011   2.347  -6.859
  266   2HG2  ILE  36          HG23      ILE  36  63.460   1.485  -5.387
  267   3HG2  ILE  36          HG22      ILE  36  61.786   1.474  -5.940
  268   1HD1  ILE  36          HD12      ILE  36  62.237   1.739  -3.150
  269   2HD1  ILE  36          HD11      ILE  36  63.768   1.980  -2.309
  270   3HD1  ILE  36          HD13      ILE  36  62.410   3.062  -1.996
  271    H    SER  37           HN       SER  37  60.505   5.707  -4.976
  272    HA   SER  37           HA       SER  37  61.820   8.230  -4.245
  273   1HB   SER  37           HB2      SER  37  59.401   7.684  -5.142
  274   2HB   SER  37           HB1      SER  37  59.046   7.390  -3.442
  275    HG   SER  37           HG       SER  37  59.355   9.463  -3.007
  276    H    THR  38           HN       THR  38  62.347   8.865  -2.146
  277    HA   THR  38           HA       THR  38  63.078   7.060  -0.155
  278    HB   THR  38           HB       THR  38  63.042   9.034   1.309
  279    HG1  THR  38           HG1      THR  38  61.583  10.498   1.027
  280   1HG2  THR  38          HG23      THR  38  64.230   8.901  -1.270
  281   2HG2  THR  38          HG22      THR  38  63.713  10.568  -1.019
  282   3HG2  THR  38          HG21      THR  38  64.798   9.798   0.138
  283    H    LYS  39           HN       LYS  39  59.945   8.777  -0.418
  284    HA   LYS  39           HA       LYS  39  58.727   7.722   1.921
  285   1HB   LYS  39           HB2      LYS  39  56.649   8.394   0.777
  286   2HB   LYS  39           HB1      LYS  39  57.908   9.602   0.520
  287   1HG   LYS  39           HG2      LYS  39  57.773   9.317  -1.706
  288   2HG   LYS  39           HG1      LYS  39  58.105   7.593  -1.527
  289   1HD   LYS  39           HD2      LYS  39  55.931   7.038  -1.806
  290   2HD   LYS  39           HD1      LYS  39  55.385   8.310  -0.713
  291   1HE   LYS  39           HE2      LYS  39  55.317   9.931  -2.433
  292   2HE   LYS  39           HE1      LYS  39  56.369   8.973  -3.494
  293   1HZ   LYS  39           HZ3      LYS  39  53.659   8.160  -2.583
  294   2HZ   LYS  39           HZ2      LYS  39  54.026   8.763  -4.127
  295   3HZ   LYS  39           HZ1      LYS  39  54.668   7.275  -3.618
  296    H    GLU  40           HN       GLU  40  59.594   6.133  -1.006
  297    HA   GLU  40           HA       GLU  40  57.548   4.017  -0.770
  298   1HB   GLU  40           HB2      GLU  40  59.985   4.373  -2.546
  299   2HB   GLU  40           HB1      GLU  40  58.732   3.154  -2.773
  300   1HG   GLU  40           HG2      GLU  40  57.953   6.048  -2.579
  301   2HG   GLU  40           HG1      GLU  40  58.589   5.420  -4.100
  302    H    LEU  41           HN       LEU  41  61.071   4.374  -0.305
  303    HA   LEU  41           HA       LEU  41  61.924   1.804   0.206
  304   1HB   LEU  41           HB2      LEU  41  62.756   4.423   0.721
  305   2HB   LEU  41           HB1      LEU  41  62.772   3.646   2.305
  306    HG   LEU  41           HG       LEU  41  64.214   2.748  -0.200
  307   1HD1  LEU  41          HD13      LEU  41  65.038   3.705   2.546
  308   2HD1  LEU  41          HD12      LEU  41  66.145   2.817   1.499
  309   3HD1  LEU  41          HD11      LEU  41  65.494   4.371   0.978
  310   1HD2  LEU  41          HD23      LEU  41  63.101   1.155   1.918
  311   2HD2  LEU  41          HD22      LEU  41  64.075   0.626   0.546
  312   3HD2  LEU  41          HD21      LEU  41  64.860   1.121   2.045
  313    H    GLY  42           HN       GLY  42  60.060   3.860   2.447
  314   1HA   GLY  42           HA2      GLY  42  60.105   2.333   4.768
  315   2HA   GLY  42           HA1      GLY  42  58.673   3.216   4.240
  316    H    LYS  43           HN       LYS  43  57.565   1.976   2.256
  317    HA   LYS  43           HA       LYS  43  56.457  -0.434   3.264
  318   1HB   LYS  43           HB2      LYS  43  56.699   0.595   0.417
  319   2HB   LYS  43           HB1      LYS  43  55.530  -0.603   0.972
  320   1HG   LYS  43           HG2      LYS  43  55.741   2.260   1.950
  321   2HG   LYS  43           HG1      LYS  43  54.485   1.616   0.892
  322   1HD   LYS  43           HD2      LYS  43  54.063  -0.103   2.789
  323   2HD   LYS  43           HD1      LYS  43  54.976   1.013   3.805
  324   1HE   LYS  43           HE2      LYS  43  52.977   2.409   2.188
  325   2HE   LYS  43           HE1      LYS  43  52.251   1.200   3.266
  326   1HZ   LYS  43           HZ2      LYS  43  54.279   3.217   4.077
  327   2HZ   LYS  43           HZ1      LYS  43  52.615   3.326   4.405
  328   3HZ   LYS  43           HZ3      LYS  43  53.534   2.079   5.096
  329    H    VAL  44           HN       VAL  44  59.168   0.094   1.016
  330    HA   VAL  44           HA       VAL  44  59.534  -2.675   0.303
  331    HB   VAL  44           HB       VAL  44  61.159  -0.136   0.229
  332   1HG1  VAL  44          HG12      VAL  44  62.165  -2.872   0.116
  333   2HG1  VAL  44          HG11      VAL  44  62.494  -1.988  -1.373
  334   3HG1  VAL  44          HG13      VAL  44  63.059  -1.354   0.172
  335   1HG2  VAL  44          HG22      VAL  44  59.212  -0.782  -1.370
  336   2HG2  VAL  44          HG21      VAL  44  60.719  -0.212  -2.088
  337   3HG2  VAL  44          HG23      VAL  44  60.356  -1.937  -2.053
  338    H    MET  45           HN       MET  45  60.632  -0.697   3.007
  339    HA   MET  45           HA       MET  45  62.694  -2.529   3.914
  340   1HB   MET  45           HB2      MET  45  61.137  -0.239   5.143
  341   2HB   MET  45           HB1      MET  45  62.430  -1.078   6.001
  342   1HG   MET  45           HG2      MET  45  63.515  -0.525   3.484
  343   2HG   MET  45           HG1      MET  45  62.621   0.935   3.909
  344   1HE   MET  45           HE1      MET  45  64.720  -1.861   5.406
  345   2HE   MET  45           HE3      MET  45  65.882  -1.028   4.365
  346   3HE   MET  45           HE2      MET  45  66.109  -1.038   6.112
  347    H    ARG  46           HN       ARG  46  59.386  -1.806   5.107
  348    HA   ARG  46           HA       ARG  46  59.409  -4.006   7.010
  349   1HB   ARG  46           HB2      ARG  46  56.993  -3.340   7.203
  350   2HB   ARG  46           HB1      ARG  46  58.104  -1.978   7.356
  351   1HG   ARG  46           HG2      ARG  46  57.115  -0.964   5.611
  352   2HG   ARG  46           HG1      ARG  46  57.517  -2.338   4.580
  353   1HD   ARG  46           HD2      ARG  46  55.057  -1.923   4.638
  354   2HD   ARG  46           HD1      ARG  46  55.461  -3.503   5.338
  355    HE   ARG  46           HE       ARG  46  55.397  -1.245   7.237
  356   1HH1  ARG  46          HH21      ARG  46  53.394  -3.430   5.537
  357   2HH1  ARG  46          HH22      ARG  46  52.434  -3.853   6.915
  358   1HH2  ARG  46          HH11      ARG  46  54.342  -2.004   9.145
  359   2HH2  ARG  46          HH12      ARG  46  52.971  -3.046   8.959
  360    H    MET  47           HN       MET  47  59.302  -4.070   3.700
  361    HA   MET  47           HA       MET  47  57.148  -6.008   3.296
  362   1HB   MET  47           HB2      MET  47  59.018  -4.393   1.775
  363   2HB   MET  47           HB1      MET  47  58.970  -6.041   1.145
  364   1HG   MET  47           HG2      MET  47  56.547  -5.935   0.923
  365   2HG   MET  47           HG1      MET  47  56.515  -4.345   1.685
  366   1HE   MET  47           HE2      MET  47  58.383  -6.405  -0.597
  367   2HE   MET  47           HE1      MET  47  57.800  -5.928  -2.189
  368   3HE   MET  47           HE3      MET  47  59.300  -5.242  -1.550
  369    H    LEU  48           HN       LEU  48  60.662  -6.132   3.769
  370    HA   LEU  48           HA       LEU  48  60.706  -9.057   3.297
  371   1HB   LEU  48           HB2      LEU  48  62.631  -6.800   3.589
  372   2HB   LEU  48           HB1      LEU  48  63.210  -8.403   4.045
  373    HG   LEU  48           HG       LEU  48  62.084  -9.104   1.751
  374   1HD1  LEU  48          HD12      LEU  48  62.186  -6.150   1.693
  375   2HD1  LEU  48          HD11      LEU  48  62.856  -6.942   0.267
  376   3HD1  LEU  48          HD13      LEU  48  61.191  -7.260   0.751
  377   1HD2  LEU  48          HD23      LEU  48  64.642  -8.764   2.620
  378   2HD2  LEU  48          HD22      LEU  48  64.232  -9.311   0.995
  379   3HD2  LEU  48          HD21      LEU  48  64.604  -7.611   1.285
  380    H    GLY  49           HN       GLY  49  60.644  -6.776   5.951
  381   1HA   GLY  49           HA2      GLY  49  59.766  -8.061   8.048
  382   2HA   GLY  49           HA1      GLY  49  61.268  -8.970   7.872
  383    H    GLN  50           HN       GLN  50  60.605  -5.476   7.526
  384    HA   GLN  50           HA       GLN  50  62.583  -4.998   9.732
  385   1HB   GLN  50           HB2      GLN  50  62.709  -4.396   6.944
  386   2HB   GLN  50           HB1      GLN  50  62.546  -2.868   7.810
  387   1HG   GLN  50           HG2      GLN  50  64.931  -3.623   7.516
  388   2HG   GLN  50           HG1      GLN  50  64.461  -3.376   9.198
  389   1HE2  GLN  50          HE22      GLN  50  64.948  -7.242   7.861
  390   2HE2  GLN  50          HE21      GLN  50  64.522  -6.033   6.747
  391    H    ASN  51           HN       ASN  51  62.206  -2.984  10.917
  392    HA   ASN  51           HA       ASN  51  59.507  -1.760  10.491
  393   1HB   ASN  51           HB2      ASN  51  60.687  -2.624  13.149
  394   2HB   ASN  51           HB1      ASN  51  59.054  -2.020  12.862
  395   1HD2  ASN  51          HD22      ASN  51  57.842  -5.113  11.571
  396   2HD2  ASN  51          HD21      ASN  51  57.545  -3.445  11.687
  397    HA   PRO  52           HA       PRO  52  63.040   1.211  11.459
  398   1HB   PRO  52           HB2      PRO  52  63.245   2.386   8.996
  399   2HB   PRO  52           HB1      PRO  52  64.191   0.960   9.466
  400   1HG   PRO  52           HG2      PRO  52  61.744   1.137   7.789
  401   2HG   PRO  52           HG1      PRO  52  63.157   0.085   7.619
  402   1HD   PRO  52           HD2      PRO  52  60.762  -0.729   8.669
  403   2HD   PRO  52           HD1      PRO  52  62.326  -1.478   9.063
  404    H    THR  53           HN       THR  53  62.368   3.188  12.257
  405    HA   THR  53           HA       THR  53  59.644   4.076  11.925
  406    HB   THR  53           HB       THR  53  61.444   6.118  12.896
  407    HG1  THR  53           HG1      THR  53  62.569   4.948  14.379
  408   1HG2  THR  53          HG22      THR  53  58.992   5.002  13.541
  409   2HG2  THR  53          HG21      THR  53  60.028   4.499  14.878
  410   3HG2  THR  53          HG23      THR  53  59.852   6.212  14.494
  411    HA   PRO  54           HA       PRO  54  60.040   6.605   8.353
  412   1HB   PRO  54           HB2      PRO  54  58.112   8.477   8.874
  413   2HB   PRO  54           HB1      PRO  54  57.736   6.809   8.397
  414   1HG   PRO  54           HG2      PRO  54  57.699   8.061  11.094
  415   2HG   PRO  54           HG1      PRO  54  56.602   6.863  10.390
  416   1HD   PRO  54           HD2      PRO  54  58.589   6.245  12.162
  417   2HD   PRO  54           HD1      PRO  54  57.951   5.106  10.956
  418    H    GLU  55           HN       GLU  55  59.817   8.361  11.460
  419    HA   GLU  55           HA       GLU  55  60.954  10.829  10.608
  420   1HB   GLU  55           HB2      GLU  55  59.815  10.534  12.734
  421   2HB   GLU  55           HB1      GLU  55  61.000   9.333  13.248
  422   1HG   GLU  55           HG2      GLU  55  62.722  11.281  12.794
  423   2HG   GLU  55           HG1      GLU  55  61.303  12.307  13.005
  424    H    GLU  56           HN       GLU  56  62.424   7.728  11.327
  425    HA   GLU  56           HA       GLU  56  65.146   8.799  11.573
  426   1HB   GLU  56           HB2      GLU  56  63.903   6.043  11.357
  427   2HB   GLU  56           HB1      GLU  56  65.640   6.296  11.534
  428   1HG   GLU  56           HG2      GLU  56  63.784   7.666  13.448
  429   2HG   GLU  56           HG1      GLU  56  64.121   5.948  13.672
  430    H    LEU  57           HN       LEU  57  63.249   7.050   9.104
  431    HA   LEU  57           HA       LEU  57  65.159   6.504   7.161
  432   1HB   LEU  57           HB2      LEU  57  62.330   6.866   7.374
  433   2HB   LEU  57           HB1      LEU  57  62.869   7.680   5.904
  434    HG   LEU  57           HG       LEU  57  62.350   5.346   5.398
  435   1HD1  LEU  57          HD11      LEU  57  65.109   6.415   5.242
  436   2HD1  LEU  57          HD13      LEU  57  64.952   4.681   4.957
  437   3HD1  LEU  57          HD12      LEU  57  64.056   5.824   3.956
  438   1HD2  LEU  57          HD23      LEU  57  63.784   4.946   7.920
  439   2HD2  LEU  57          HD22      LEU  57  62.635   3.884   7.104
  440   3HD2  LEU  57          HD21      LEU  57  64.339   3.859   6.647
  441    H    GLN  58           HN       GLN  58  63.194   9.499   7.010
  442    HA   GLN  58           HA       GLN  58  64.656  10.936   5.146
  443   1HB   GLN  58           HB2      GLN  58  62.776  11.421   7.278
  444   2HB   GLN  58           HB1      GLN  58  63.956  12.733   7.234
  445   1HG   GLN  58           HG2      GLN  58  62.788  11.780   4.646
  446   2HG   GLN  58           HG1      GLN  58  61.801  12.806   5.687
  447   1HE2  GLN  58          HE22      GLN  58  63.630  15.206   3.600
  448   2HE2  GLN  58          HE21      GLN  58  62.333  14.122   3.451
  449    H    GLU  59           HN       GLU  59  65.508  10.308   8.513
  450    HA   GLU  59           HA       GLU  59  67.616  12.232   8.784
  451   1HB   GLU  59           HB2      GLU  59  66.316  10.471  10.380
  452   2HB   GLU  59           HB1      GLU  59  67.815   9.580  10.116
  453   1HG   GLU  59           HG2      GLU  59  68.863  12.002  10.621
  454   2HG   GLU  59           HG1      GLU  59  67.369  12.153  11.548
  455    H    MET  60           HN       MET  60  67.443   9.102   7.214
  456    HA   MET  60           HA       MET  60  70.389   8.912   6.941
  457   1HB   MET  60           HB2      MET  60  67.994   7.203   6.252
  458   2HB   MET  60           HB1      MET  60  69.611   6.785   5.686
  459   1HG   MET  60           HG2      MET  60  70.181   7.229   8.275
  460   2HG   MET  60           HG1      MET  60  68.498   6.734   8.448
  461   1HE   MET  60           HE3      MET  60  67.605   4.970   8.416
  462   2HE   MET  60           HE2      MET  60  67.806   3.816   7.101
  463   3HE   MET  60           HE1      MET  60  68.396   3.416   8.711
  464    H    ILE  61           HN       ILE  61  67.501   9.516   4.957
  465    HA   ILE  61           HA       ILE  61  68.762   9.467   2.391
  466    HB   ILE  61           HB       ILE  61  66.363  10.931   3.531
  467   1HG1  ILE  61          HG12      ILE  61  65.992   8.777   1.573
  468   2HG1  ILE  61          HG11      ILE  61  66.811   8.238   3.039
  469   1HG2  ILE  61          HG23      ILE  61  67.240  12.059   1.486
  470   2HG2  ILE  61          HG22      ILE  61  67.121  10.527   0.620
  471   3HG2  ILE  61          HG21      ILE  61  65.662  11.316   1.220
  472   1HD1  ILE  61          HD12      ILE  61  64.492  10.024   3.477
  473   2HD1  ILE  61          HD11      ILE  61  64.104   8.437   2.812
  474   3HD1  ILE  61          HD13      ILE  61  64.969   8.564   4.344
  475    H    ASP  62           HN       ASP  62  68.655  11.915   4.916
  476    HA   ASP  62           HA       ASP  62  69.351  14.222   3.396
  477   1HB   ASP  62           HB2      ASP  62  68.808  13.606   5.998
  478   2HB   ASP  62           HB1      ASP  62  70.550  13.873   6.087
  479    H    GLU  63           HN       GLU  63  71.306  11.552   4.638
  480    HA   GLU  63           HA       GLU  63  73.804  12.868   3.711
  481   1HB   GLU  63           HB2      GLU  63  74.232  11.938   5.773
  482   2HB   GLU  63           HB1      GLU  63  72.958  10.733   5.602
  483   1HG   GLU  63           HG2      GLU  63  74.330   9.284   4.351
  484   2HG   GLU  63           HG1      GLU  63  75.479  10.563   3.957
  485    H    VAL  64           HN       VAL  64  71.545  10.341   2.859
  486    HA   VAL  64           HA       VAL  64  73.367   9.028   0.956
  487    HB   VAL  64           HB       VAL  64  70.394   8.783   1.529
  488   1HG1  VAL  64          HG11      VAL  64  71.941   7.776  -0.627
  489   2HG1  VAL  64          HG13      VAL  64  71.631   6.417   0.453
  490   3HG1  VAL  64          HG12      VAL  64  70.284   7.350  -0.201
  491   1HG2  VAL  64          HG22      VAL  64  72.642   8.043   3.064
  492   2HG2  VAL  64          HG21      VAL  64  70.976   7.520   3.306
  493   3HG2  VAL  64          HG23      VAL  64  72.069   6.552   2.316
  494    H    ASP  65           HN       ASP  65  70.381  10.993   0.768
  495    HA   ASP  65           HA       ASP  65  70.827  11.371  -2.153
  496   1HB   ASP  65           HB2      ASP  65  68.561  11.734  -0.199
  497   2HB   ASP  65           HB1      ASP  65  68.490  12.488  -1.792
  498    H    GLU  66           HN       GLU  66  72.745  12.707  -0.666
  499    HA   GLU  66           HA       GLU  66  72.019  15.379   0.127
  500   1HB   GLU  66           HB2      GLU  66  74.180  13.721   0.338
  501   2HB   GLU  66           HB1      GLU  66  74.744  14.845  -0.899
  502   1HG   GLU  66           HG2      GLU  66  74.548  16.707   0.522
  503   2HG   GLU  66           HG1      GLU  66  73.445  15.872   1.615
  504    H    ASP  67           HN       ASP  67  72.785  13.906  -2.966
  505    HA   ASP  67           HA       ASP  67  72.087  16.434  -4.336
  506   1HB   ASP  67           HB2      ASP  67  74.558  16.427  -3.740
  507   2HB   ASP  67           HB1      ASP  67  74.736  15.042  -4.817
  508    H    GLY  68           HN       GLY  68  71.306  13.424  -4.099
  509   1HA   GLY  68           HA2      GLY  68  71.691  12.509  -6.877
  510   2HA   GLY  68           HA1      GLY  68  70.878  11.611  -5.594
  511    H    SER  69           HN       SER  69  68.689  12.340  -4.985
  512    HA   SER  69           HA       SER  69  67.176  14.317  -6.333
  513   1HB   SER  69           HB2      SER  69  67.936  12.046  -7.933
  514   2HB   SER  69           HB1      SER  69  66.185  12.053  -7.741
  515    HG   SER  69           HG       SER  69  67.889  13.988  -8.868
  516    H    GLY  70           HN       GLY  70  67.124  13.311  -3.744
  517   1HA   GLY  70           HA2      GLY  70  65.744  12.286  -2.125
  518   2HA   GLY  70           HA1      GLY  70  64.449  12.952  -3.122
  519    H    THR  71           HN       THR  71  66.748  10.477  -4.159
  520    HA   THR  71           HA       THR  71  64.654   8.375  -3.939
  521    HB   THR  71           HB       THR  71  65.182   7.902  -6.437
  522    HG1  THR  71           HG1      THR  71  66.114   9.501  -7.540
  523   1HG2  THR  71          HG23      THR  71  63.222   9.385  -5.169
  524   2HG2  THR  71          HG22      THR  71  63.796  10.484  -6.423
  525   3HG2  THR  71          HG21      THR  71  63.190   8.887  -6.860
  526    H    VAL  72           HN       VAL  72  65.573   6.299  -3.787
  527    HA   VAL  72           HA       VAL  72  68.562   6.222  -3.689
  528    HB   VAL  72           HB       VAL  72  67.923   4.018  -2.398
  529   1HG1  VAL  72          HG12      VAL  72  67.567   6.843  -1.395
  530   2HG1  VAL  72          HG11      VAL  72  67.574   5.443  -0.320
  531   3HG1  VAL  72          HG13      VAL  72  69.004   5.822  -1.283
  532   1HG2  VAL  72          HG21      VAL  72  65.486   4.240  -3.075
  533   2HG2  VAL  72          HG23      VAL  72  65.761   4.045  -1.343
  534   3HG2  VAL  72          HG22      VAL  72  65.392   5.638  -2.005
  535    H    ASP  73           HN       ASP  73  69.675   4.541  -4.722
  536    HA   ASP  73           HA       ASP  73  68.087   2.977  -6.730
  537   1HB   ASP  73           HB2      ASP  73  69.844   4.851  -7.326
  538   2HB   ASP  73           HB1      ASP  73  71.026   3.603  -6.931
  539    H    PHE  74           HN       PHE  74  70.047   1.130  -7.414
  540    HA   PHE  74           HA       PHE  74  69.913  -0.779  -5.287
  541   1HB   PHE  74           HB2      PHE  74  70.613  -0.664  -7.987
  542   2HB   PHE  74           HB1      PHE  74  72.111  -1.135  -7.185
  543    HD1  PHE  74           HD2      PHE  74  68.497  -1.859  -6.483
  544    HD2  PHE  74           HD1      PHE  74  72.398  -3.441  -7.326
  545    HE1  PHE  74           HE2      PHE  74  67.622  -4.163  -6.202
  546    HE2  PHE  74           HE1      PHE  74  71.526  -5.747  -7.045
  547    HZ   PHE  74           HZ       PHE  74  69.136  -6.108  -6.483
  548    H    ASP  75           HN       ASP  75  72.380   1.576  -6.216
  549    HA   ASP  75           HA       ASP  75  74.473   0.572  -4.494
  550   1HB   ASP  75           HB2      ASP  75  74.253   2.362  -6.529
  551   2HB   ASP  75           HB1      ASP  75  74.322   3.462  -5.151
  552    H    GLU  76           HN       GLU  76  72.113   3.254  -4.119
  553    HA   GLU  76           HA       GLU  76  72.982   3.863  -1.407
  554   1HB   GLU  76           HB2      GLU  76  70.518   4.583  -3.027
  555   2HB   GLU  76           HB1      GLU  76  70.977   5.347  -1.506
  556   1HG   GLU  76           HG2      GLU  76  72.813   6.424  -2.439
  557   2HG   GLU  76           HG1      GLU  76  72.989   5.228  -3.725
  558    H    PHE  77           HN       PHE  77  69.988   2.395  -2.749
  559    HA   PHE  77           HA       PHE  77  68.638   1.755  -0.402
  560   1HB   PHE  77           HB2      PHE  77  67.751   1.331  -2.618
  561   2HB   PHE  77           HB1      PHE  77  69.035   0.170  -2.959
  562    HD1  PHE  77           HD2      PHE  77  66.995   0.633   0.138
  563    HD2  PHE  77           HD1      PHE  77  67.958  -1.912  -3.185
  564    HE1  PHE  77           HE2      PHE  77  65.625  -1.182   1.131
  565    HE2  PHE  77           HE1      PHE  77  66.588  -3.727  -2.194
  566    HZ   PHE  77           HZ       PHE  77  65.422  -3.361  -0.035
  567    H    LEU  78           HN       LEU  78  70.902  -0.488  -2.060
  568    HA   LEU  78           HA       LEU  78  71.069  -2.545  -0.226
  569   1HB   LEU  78           HB2      LEU  78  72.962  -1.166  -2.075
  570   2HB   LEU  78           HB1      LEU  78  73.655  -2.328  -0.942
  571    HG   LEU  78           HG       LEU  78  71.244  -3.007  -2.627
  572   1HD1  LEU  78          HD13      LEU  78  73.862  -2.464  -3.585
  573   2HD1  LEU  78          HD12      LEU  78  73.665  -4.218  -3.599
  574   3HD1  LEU  78          HD11      LEU  78  72.522  -3.196  -4.469
  575   1HD2  LEU  78          HD23      LEU  78  73.144  -4.415  -0.811
  576   2HD2  LEU  78          HD22      LEU  78  71.423  -4.694  -1.070
  577   3HD2  LEU  78          HD21      LEU  78  72.599  -5.303  -2.234
  578    H    VAL  79           HN       VAL  79  72.970   0.493  -0.064
  579    HA   VAL  79           HA       VAL  79  74.340  -0.061   2.368
  580    HB   VAL  79           HB       VAL  79  73.343   2.572   1.228
  581   1HG1  VAL  79          HG12      VAL  79  74.844   1.920   3.589
  582   2HG1  VAL  79          HG11      VAL  79  75.902   2.762   2.456
  583   3HG1  VAL  79          HG13      VAL  79  74.395   3.513   2.980
  584   1HG2  VAL  79          HG21      VAL  79  74.890   0.755  -0.078
  585   2HG2  VAL  79          HG23      VAL  79  75.044   2.497  -0.301
  586   3HG2  VAL  79          HG22      VAL  79  76.130   1.650   0.800
  587    H    MET  80           HN       MET  80  71.132   1.355   1.766
  588    HA   MET  80           HA       MET  80  70.554   2.166   4.448
  589   1HB   MET  80           HB2      MET  80  69.116   1.589   1.911
  590   2HB   MET  80           HB1      MET  80  68.133   1.563   3.375
  591   1HG   MET  80           HG2      MET  80  69.906   3.824   3.477
  592   2HG   MET  80           HG1      MET  80  69.037   3.840   1.942
  593   1HE   MET  80           HE3      MET  80  68.277   5.998   2.630
  594   2HE   MET  80           HE2      MET  80  66.802   5.338   1.928
  595   3HE   MET  80           HE1      MET  80  66.718   6.261   3.426
  596    H    MET  81           HN       MET  81  70.348  -0.954   2.810
  597    HA   MET  81           HA       MET  81  68.788  -2.265   4.891
  598   1HB   MET  81           HB2      MET  81  69.868  -2.779   2.277
  599   2HB   MET  81           HB1      MET  81  70.334  -4.101   3.351
  600   1HG   MET  81           HG2      MET  81  67.512  -3.050   2.979
  601   2HG   MET  81           HG1      MET  81  68.146  -4.548   2.296
  602   1HE   MET  81           HE2      MET  81  65.880  -4.980   3.291
  603   2HE   MET  81           HE1      MET  81  66.571  -6.539   3.730
  604   3HE   MET  81           HE3      MET  81  65.621  -5.626   4.909
  605    H    VAL  82           HN       VAL  82  72.237  -2.425   3.922
  606    HA   VAL  82           HA       VAL  82  73.078  -4.063   6.129
  607    HB   VAL  82           HB       VAL  82  75.283  -3.493   5.325
  608   1HG1  VAL  82          HG12      VAL  82  73.417  -4.593   3.743
  609   2HG1  VAL  82          HG11      VAL  82  73.754  -3.151   2.786
  610   3HG1  VAL  82          HG13      VAL  82  75.055  -4.278   3.171
  611   1HG2  VAL  82          HG22      VAL  82  73.920  -1.127   3.997
  612   2HG2  VAL  82          HG21      VAL  82  75.036  -1.051   5.361
  613   3HG2  VAL  82          HG23      VAL  82  75.613  -1.570   3.777
  614    H    ARG  83           HN       ARG  83  72.278  -0.707   5.891
  615    HA   ARG  83           HA       ARG  83  73.902   0.189   8.153
  616   1HB   ARG  83           HB2      ARG  83  73.291   1.692   6.341
  617   2HB   ARG  83           HB1      ARG  83  71.577   1.362   6.595
  618   1HG   ARG  83           HG2      ARG  83  72.189   3.503   7.633
  619   2HG   ARG  83           HG1      ARG  83  71.744   2.331   8.873
  620   1HD   ARG  83           HD2      ARG  83  73.904   2.154   9.676
  621   2HD   ARG  83           HD1      ARG  83  74.628   2.461   8.085
  622    HE   ARG  83           HE       ARG  83  73.203   4.657   9.527
  623   1HH1  ARG  83          HH11      ARG  83  74.104   6.126   7.553
  624   2HH1  ARG  83          HH12      ARG  83  75.811   6.364   7.725
  625   1HH2  ARG  83          HH21      ARG  83  76.220   3.734   9.949
  626   2HH2  ARG  83          HH22      ARG  83  77.010   5.009   9.081
  627    H    CYS  84           HN       CYS  84  70.904  -1.456   7.785
  628    HA   CYS  84           HA       CYS  84  70.163  -0.782  10.616
  629   1HB   CYS  84           HB2      CYS  84  68.553  -1.300   8.112
  630   2HB   CYS  84           HB1      CYS  84  67.823  -1.419   9.713
  631    HG   CYS  84           HG       CYS  84  69.192   1.199   9.655
  632    H    MET  85           HN       MET  85  71.575  -3.137   8.854
  633    HA   MET  85           HA       MET  85  70.031  -5.467   9.752
  634   1HB   MET  85           HB2      MET  85  72.378  -4.813   8.072
  635   2HB   MET  85           HB1      MET  85  72.458  -6.382   8.875
  636   1HG   MET  85           HG2      MET  85  70.505  -7.162   7.822
  637   2HG   MET  85           HG1      MET  85  69.956  -5.533   7.428
  638   1HE   MET  85           HE2      MET  85  69.479  -7.170   5.318
  639   2HE   MET  85           HE1      MET  85  70.681  -7.541   4.084
  640   3HE   MET  85           HE3      MET  85  70.649  -8.458   5.596
  641    H    LYS  86           HN       LYS  86  71.440  -7.248  10.914
  642    HA   LYS  86           HA       LYS  86  72.657  -7.910  12.834
  643   1HB   LYS  86           HB2      LYS  86  74.149  -6.050  11.499
  644   2HB   LYS  86           HB1      LYS  86  73.975  -5.269  13.071
  645   1HG   LYS  86           HG2      LYS  86  75.105  -6.962  14.194
  646   2HG   LYS  86           HG1      LYS  86  74.709  -8.174  12.975
  647   1HD   LYS  86           HD2      LYS  86  76.994  -7.750  12.591
  648   2HD   LYS  86           HD1      LYS  86  76.187  -6.744  11.388
  649   1HE   LYS  86           HE2      LYS  86  76.595  -4.758  12.591
  650   2HE   LYS  86           HE1      LYS  86  76.868  -5.629  14.114
  651   1HZ   LYS  86           HZ1      LYS  86  78.749  -6.770  12.856
  652   2HZ   LYS  86           HZ3      LYS  86  78.610  -5.514  11.725
  653   3HZ   LYS  86           HZ2      LYS  86  79.007  -5.162  13.339
  654    H    ASP  87           HN       ASP  87  71.693  -7.976  14.825
  655    HA   ASP  87           HA       ASP  87  69.725  -6.280  15.815
  656   1HB   ASP  87           HB2      ASP  87  71.804  -8.069  17.046
  657   2HB   ASP  87           HB1      ASP  87  70.733  -7.142  18.099
  658    H    ASP  88           HN       ASP  88  73.224  -5.829  15.948
  659    HA   ASP  88           HA       ASP  88  73.148  -3.617  17.843
  660   1HB   ASP  88           HB2      ASP  88  75.037  -5.295  17.181
  661   2HB   ASP  88           HB1      ASP  88  75.324  -4.191  15.836
  662    H    SER  89           HN       SER  89  71.565  -2.167  16.852
  663    HA   SER  89           HA       SER  89  72.154  -1.063  14.176
  664   1HB   SER  89           HB2      SER  89  69.985  -0.992  16.217
  665   2HB   SER  89           HB1      SER  89  70.101   0.397  15.142
  666    HG   SER  89           HG       SER  89  68.878  -1.716  14.554
   
  No H/Q in entry =         666
  Start of MODEL   18
    1   1H    MET   1           HT2      MET   1  91.708   7.144   1.884
    2   2H    MET   1           HT1      MET   1  92.076   6.489   0.360
    3   3H    MET   1           HT3      MET   1  91.495   8.078   0.481
    4    HA   MET   1           HA       MET   1  89.332   7.389   1.031
    5   1HB   MET   1           HB2      MET   1  90.525   6.876  -1.315
    6   2HB   MET   1           HB1      MET   1  90.118   5.218  -0.866
    7   1HG   MET   1           HG2      MET   1  87.976   5.562  -1.453
    8   2HG   MET   1           HG1      MET   1  87.861   6.898  -0.308
    9   1HE   MET   1           HE3      MET   1  86.227   6.652  -2.818
   10   2HE   MET   1           HE2      MET   1  86.105   8.170  -1.930
   11   3HE   MET   1           HE1      MET   1  86.344   8.195  -3.676
   12    H    ASP   2           HN       ASP   2  88.053   6.000   2.243
   13    HA   ASP   2           HA       ASP   2  89.334   3.457   3.194
   14   1HB   ASP   2           HB2      ASP   2  87.498   5.472   4.521
   15   2HB   ASP   2           HB1      ASP   2  87.896   3.911   5.240
   16    H    ASP   3           HN       ASP   3  86.108   4.985   2.792
   17    HA   ASP   3           HA       ASP   3  84.049   4.031   2.130
   18   1HB   ASP   3           HB2      ASP   3  86.021   2.229   0.683
   19   2HB   ASP   3           HB1      ASP   3  84.314   2.410   0.273
   20    H    ILE   4           HN       ILE   4  83.090   3.064   3.914
   21    HA   ILE   4           HA       ILE   4  84.097   0.387   4.790
   22    HB   ILE   4           HB       ILE   4  83.092   0.940   6.890
   23   1HG1  ILE   4          HG12      ILE   4  81.719   3.263   5.500
   24   2HG1  ILE   4          HG11      ILE   4  80.932   1.730   5.875
   25   1HG2  ILE   4          HG21      ILE   4  85.063   2.451   5.871
   26   2HG2  ILE   4          HG23      ILE   4  83.848   3.711   6.087
   27   3HG2  ILE   4          HG22      ILE   4  84.384   2.756   7.469
   28   1HD1  ILE   4          HD13      ILE   4  82.276   2.694   8.228
   29   2HD1  ILE   4          HD12      ILE   4  81.249   3.976   7.583
   30   3HD1  ILE   4          HD11      ILE   4  80.553   2.407   7.986
   31    H    TYR   5           HN       TYR   5  81.310   2.065   3.464
   32    HA   TYR   5           HA       TYR   5  79.478  -0.197   3.866
   33   1HB   TYR   5           HB2      TYR   5  79.079   2.165   2.029
   34   2HB   TYR   5           HB1      TYR   5  77.872   1.296   2.975
   35    HD1  TYR   5           HD1      TYR   5  78.242   1.340   5.594
   36    HD2  TYR   5           HD2      TYR   5  79.922   4.185   2.850
   37    HE1  TYR   5           HE1      TYR   5  78.537   2.957   7.451
   38    HE2  TYR   5           HE2      TYR   5  80.215   5.803   4.706
   39    HH   TYR   5           HH       TYR   5  80.305   5.950   7.016
   40    H    LYS   6           HN       LYS   6  81.509   1.104   1.288
   41    HA   LYS   6           HA       LYS   6  80.502  -0.102  -1.011
   42   1HB   LYS   6           HB2      LYS   6  82.698   1.290  -0.355
   43   2HB   LYS   6           HB1      LYS   6  83.431  -0.311  -0.454
   44   1HG   LYS   6           HG2      LYS   6  81.831  -0.239  -2.707
   45   2HG   LYS   6           HG1      LYS   6  82.428   1.418  -2.602
   46   1HD   LYS   6           HD2      LYS   6  84.732   0.156  -2.106
   47   2HD   LYS   6           HD1      LYS   6  83.941  -1.119  -3.036
   48   1HE   LYS   6           HE2      LYS   6  84.091   0.055  -4.991
   49   2HE   LYS   6           HE1      LYS   6  83.695   1.595  -4.201
   50   1HZ   LYS   6           HZ3      LYS   6  85.970   1.259  -3.062
   51   2HZ   LYS   6           HZ2      LYS   6  86.293   0.210  -4.359
   52   3HZ   LYS   6           HZ1      LYS   6  85.934   1.844  -4.654
   53    H    ALA   7           HN       ALA   7  82.166  -1.653   1.692
   54    HA   ALA   7           HA       ALA   7  82.565  -4.202   0.333
   55   1HB   ALA   7           HB2      ALA   7  83.099  -2.904   2.895
   56   2HB   ALA   7           HB1      ALA   7  82.626  -4.592   3.097
   57   3HB   ALA   7           HB3      ALA   7  84.007  -4.178   2.081
   58    H    ALA   8           HN       ALA   8  79.945  -2.691   2.058
   59    HA   ALA   8           HA       ALA   8  78.552  -5.073   2.905
   60   1HB   ALA   8           HB2      ALA   8  78.366  -2.435   3.398
   61   2HB   ALA   8           HB1      ALA   8  77.099  -2.570   2.178
   62   3HB   ALA   8           HB3      ALA   8  77.006  -3.530   3.654
   63    H    VAL   9           HN       VAL   9  77.998  -2.878   0.117
   64    HA   VAL   9           HA       VAL   9  75.935  -4.424  -1.104
   65    HB   VAL   9           HB       VAL   9  78.001  -2.454  -2.112
   66   1HG1  VAL   9          HG12      VAL   9  77.192  -4.028  -3.923
   67   2HG1  VAL   9          HG11      VAL   9  75.559  -3.437  -3.613
   68   3HG1  VAL   9          HG13      VAL   9  76.800  -2.331  -4.199
   69   1HG2  VAL   9          HG22      VAL   9  76.272  -1.639  -0.523
   70   2HG2  VAL   9          HG21      VAL   9  76.077  -0.925  -2.124
   71   3HG2  VAL   9          HG23      VAL   9  75.015  -2.235  -1.609
   72    H    GLU  10           HN       GLU  10  79.440  -4.740  -1.173
   73    HA   GLU  10           HA       GLU  10  79.487  -6.555  -3.467
   74   1HB   GLU  10           HB2      GLU  10  81.406  -5.204  -3.064
   75   2HB   GLU  10           HB1      GLU  10  81.439  -5.630  -1.352
   76   1HG   GLU  10           HG2      GLU  10  82.693  -7.456  -1.759
   77   2HG   GLU  10           HG1      GLU  10  81.577  -8.009  -3.007
   78    H    GLN  11           HN       GLN  11  79.539  -6.876   0.074
   79    HA   GLN  11           HA       GLN  11  80.155  -9.649   0.248
   80   1HB   GLN  11           HB2      GLN  11  79.122  -7.479   1.890
   81   2HB   GLN  11           HB1      GLN  11  78.361  -9.014   2.310
   82   1HG   GLN  11           HG2      GLN  11  80.405 -10.024   2.869
   83   2HG   GLN  11           HG1      GLN  11  81.343  -8.858   1.936
   84   1HE2  GLN  11          HE22      GLN  11  80.763  -6.265   4.527
   85   2HE2  GLN  11          HE21      GLN  11  80.515  -6.408   2.853
   86    H    LEU  12           HN       LEU  12  77.056  -7.977  -0.266
   87    HA   LEU  12           HA       LEU  12  75.244 -10.097   0.074
   88   1HB   LEU  12           HB2      LEU  12  75.355  -7.813  -1.918
   89   2HB   LEU  12           HB1      LEU  12  73.918  -8.802  -1.654
   90    HG   LEU  12           HG       LEU  12  75.349  -7.286   0.545
   91   1HD1  LEU  12          HD11      LEU  12  73.903  -6.152  -1.509
   92   2HD1  LEU  12          HD13      LEU  12  72.664  -6.409  -0.280
   93   3HD1  LEU  12          HD12      LEU  12  74.094  -5.448   0.097
   94   1HD2  LEU  12          HD22      LEU  12  74.034  -9.268   1.250
   95   2HD2  LEU  12          HD21      LEU  12  73.288  -7.771   1.807
   96   3HD2  LEU  12          HD23      LEU  12  72.625  -8.622   0.410
   97    H    THR  13           HN       THR  13  74.804 -11.948  -1.095
   98    HA   THR  13           HA       THR  13  76.566 -12.624  -3.363
   99    HB   THR  13           HB       THR  13  75.074 -14.786  -3.069
  100    HG1  THR  13           HG1      THR  13  74.526 -14.634  -0.654
  101   1HG2  THR  13          HG23      THR  13  77.485 -14.399  -2.359
  102   2HG2  THR  13          HG22      THR  13  76.855 -13.933  -0.778
  103   3HG2  THR  13          HG21      THR  13  76.589 -15.567  -1.387
  104    H    GLU  14           HN       GLU  14  75.407 -13.790  -5.269
  105    HA   GLU  14           HA       GLU  14  73.629 -11.944  -6.575
  106   1HB   GLU  14           HB2      GLU  14  75.320 -13.861  -7.361
  107   2HB   GLU  14           HB1      GLU  14  73.836 -14.814  -7.389
  108   1HG   GLU  14           HG2      GLU  14  74.264 -13.751  -9.583
  109   2HG   GLU  14           HG1      GLU  14  72.777 -13.146  -8.854
  110    H    GLU  15           HN       GLU  15  73.097 -15.047  -4.906
  111    HA   GLU  15           HA       GLU  15  70.383 -15.481  -5.567
  112   1HB   GLU  15           HB2      GLU  15  72.256 -16.744  -4.125
  113   2HB   GLU  15           HB1      GLU  15  71.367 -16.003  -2.792
  114   1HG   GLU  15           HG2      GLU  15  69.720 -17.521  -2.992
  115   2HG   GLU  15           HG1      GLU  15  69.504 -17.109  -4.694
  116    H    GLN  16           HN       GLN  16  71.831 -13.318  -3.162
  117    HA   GLN  16           HA       GLN  16  69.233 -12.597  -1.988
  118   1HB   GLN  16           HB2      GLN  16  72.130 -11.863  -1.659
  119   2HB   GLN  16           HB1      GLN  16  70.894 -10.837  -0.930
  120   1HG   GLN  16           HG2      GLN  16  70.445 -13.704  -0.476
  121   2HG   GLN  16           HG1      GLN  16  71.947 -13.107   0.231
  122   1HE2  GLN  16          HE22      GLN  16  69.992 -10.540   2.119
  123   2HE2  GLN  16          HE21      GLN  16  71.227 -10.487   0.956
  124    H    LYS  17           HN       LYS  17  71.727 -10.923  -3.945
  125    HA   LYS  17           HA       LYS  17  70.575  -8.420  -4.285
  126   1HB   LYS  17           HB2      LYS  17  71.899 -10.212  -6.349
  127   2HB   LYS  17           HB1      LYS  17  71.740  -8.461  -6.487
  128   1HG   LYS  17           HG2      LYS  17  72.929  -9.452  -3.956
  129   2HG   LYS  17           HG1      LYS  17  73.913  -9.666  -5.404
  130   1HD   LYS  17           HD2      LYS  17  72.722  -7.044  -5.436
  131   2HD   LYS  17           HD1      LYS  17  73.560  -7.290  -3.903
  132   1HE   LYS  17           HE2      LYS  17  75.567  -7.064  -4.924
  133   2HE   LYS  17           HE1      LYS  17  75.155  -8.338  -6.088
  134   1HZ   LYS  17           HZ2      LYS  17  73.597  -6.498  -7.032
  135   2HZ   LYS  17           HZ1      LYS  17  74.683  -5.441  -6.264
  136   3HZ   LYS  17           HZ3      LYS  17  75.242  -6.511  -7.455
  137    H    ASN  18           HN       ASN  18  69.460 -11.479  -5.600
  138    HA   ASN  18           HA       ASN  18  67.692 -10.341  -7.610
  139   1HB   ASN  18           HB2      ASN  18  68.166 -13.001  -6.289
  140   2HB   ASN  18           HB1      ASN  18  66.743 -12.782  -7.311
  141   1HD2  ASN  18          HD22      ASN  18  69.143 -13.873  -9.789
  142   2HD2  ASN  18          HD21      ASN  18  68.028 -14.482  -8.663
  143    H    GLU  19           HN       GLU  19  67.132 -11.786  -4.374
  144    HA   GLU  19           HA       GLU  19  64.353 -11.469  -4.189
  145   1HB   GLU  19           HB2      GLU  19  66.613 -11.955  -2.502
  146   2HB   GLU  19           HB1      GLU  19  65.575 -10.780  -1.693
  147   1HG   GLU  19           HG2      GLU  19  64.760 -12.929  -1.036
  148   2HG   GLU  19           HG1      GLU  19  63.620 -12.328  -2.241
  149    H    PHE  20           HN       PHE  20  66.895  -9.052  -3.511
  150    HA   PHE  20           HA       PHE  20  64.976  -6.985  -2.741
  151   1HB   PHE  20           HB2      PHE  20  67.879  -7.419  -2.944
  152   2HB   PHE  20           HB1      PHE  20  67.389  -5.766  -3.318
  153    HD1  PHE  20           HD2      PHE  20  65.053  -5.349  -1.622
  154    HD2  PHE  20           HD1      PHE  20  68.730  -7.391  -0.756
  155    HE1  PHE  20           HE2      PHE  20  64.734  -4.893   0.795
  156    HE2  PHE  20           HE1      PHE  20  68.413  -6.936   1.662
  157    HZ   PHE  20           HZ       PHE  20  66.415  -5.687   2.437
  158    H    LYS  21           HN       LYS  21  66.490  -8.053  -5.712
  159    HA   LYS  21           HA       LYS  21  66.123  -5.625  -7.235
  160   1HB   LYS  21           HB2      LYS  21  67.650  -7.604  -7.691
  161   2HB   LYS  21           HB1      LYS  21  66.218  -8.498  -8.198
  162   1HG   LYS  21           HG2      LYS  21  66.626  -7.634 -10.253
  163   2HG   LYS  21           HG1      LYS  21  65.958  -6.138  -9.599
  164   1HD   LYS  21           HD2      LYS  21  68.685  -6.331  -8.759
  165   2HD   LYS  21           HD1      LYS  21  68.623  -6.625 -10.497
  166   1HE   LYS  21           HE2      LYS  21  67.429  -4.536 -10.870
  167   2HE   LYS  21           HE1      LYS  21  67.302  -4.260  -9.121
  168   1HZ   LYS  21           HZ3      LYS  21  69.719  -4.309  -8.978
  169   2HZ   LYS  21           HZ2      LYS  21  69.832  -4.536 -10.657
  170   3HZ   LYS  21           HZ1      LYS  21  69.209  -3.084 -10.033
  171    H    ALA  22           HN       ALA  22  64.167  -8.586  -6.832
  172    HA   ALA  22           HA       ALA  22  62.079  -7.684  -8.662
  173   1HB   ALA  22           HB1      ALA  22  62.878 -10.028  -7.189
  174   2HB   ALA  22           HB3      ALA  22  61.165  -9.718  -6.906
  175   3HB   ALA  22           HB2      ALA  22  61.765  -9.916  -8.553
  176    H    ALA  23           HN       ALA  23  62.899  -6.796  -5.510
  177    HA   ALA  23           HA       ALA  23  60.054  -6.142  -4.819
  178   1HB   ALA  23           HB2      ALA  23  62.575  -6.532  -3.179
  179   2HB   ALA  23           HB1      ALA  23  61.052  -5.966  -2.495
  180   3HB   ALA  23           HB3      ALA  23  61.153  -7.575  -3.210
  181    H    PHE  24           HN       PHE  24  62.978  -4.787  -5.899
  182    HA   PHE  24           HA       PHE  24  62.362  -2.113  -4.715
  183   1HB   PHE  24           HB2      PHE  24  64.600  -2.798  -4.321
  184   2HB   PHE  24           HB1      PHE  24  64.775  -3.444  -5.952
  185    HD1  PHE  24           HD2      PHE  24  64.950  -1.902  -7.902
  186    HD2  PHE  24           HD1      PHE  24  64.938  -0.462  -3.855
  187    HE1  PHE  24           HE2      PHE  24  65.849   0.275  -8.675
  188    HE2  PHE  24           HE1      PHE  24  65.837   1.716  -4.628
  189    HZ   PHE  24           HZ       PHE  24  66.293   2.084  -7.038
  190    H    ASP  25           HN       ASP  25  63.068  -3.709  -7.838
  191    HA   ASP  25           HA       ASP  25  62.760  -1.400  -9.495
  192   1HB   ASP  25           HB2      ASP  25  63.238  -4.188  -9.711
  193   2HB   ASP  25           HB1      ASP  25  61.866  -3.833 -10.762
  194    H    ILE  26           HN       ILE  26  60.428  -3.314  -7.792
  195    HA   ILE  26           HA       ILE  26  58.164  -2.647  -9.533
  196    HB   ILE  26           HB       ILE  26  58.346  -3.797  -6.733
  197   1HG1  ILE  26          HG12      ILE  26  58.418  -5.012  -9.500
  198   2HG1  ILE  26          HG11      ILE  26  59.548  -5.260  -8.169
  199   1HG2  ILE  26          HG22      ILE  26  56.110  -2.910  -7.305
  200   2HG2  ILE  26          HG21      ILE  26  56.115  -3.862  -8.790
  201   3HG2  ILE  26          HG23      ILE  26  56.091  -4.672  -7.224
  202   1HD1  ILE  26          HD12      ILE  26  57.645  -6.309  -6.875
  203   2HD1  ILE  26          HD11      ILE  26  56.694  -6.246  -8.359
  204   3HD1  ILE  26          HD13      ILE  26  58.161  -7.223  -8.293
  205    H    PHE  27           HN       PHE  27  59.962  -0.844  -7.380
  206    HA   PHE  27           HA       PHE  27  57.626   0.946  -6.814
  207   1HB   PHE  27           HB2      PHE  27  59.765  -0.169  -5.006
  208   2HB   PHE  27           HB1      PHE  27  58.964   1.350  -4.606
  209    HD1  PHE  27           HD1      PHE  27  58.316  -2.233  -5.428
  210    HD2  PHE  27           HD2      PHE  27  56.796   1.372  -3.656
  211    HE1  PHE  27           HE1      PHE  27  56.371  -3.489  -4.539
  212    HE2  PHE  27           HE2      PHE  27  54.851   0.117  -2.767
  213    HZ   PHE  27           HZ       PHE  27  54.639  -2.315  -3.208
  214    H    VAL  28           HN       VAL  28  59.938   0.945  -8.829
  215    HA   VAL  28           HA       VAL  28  61.707   3.105  -8.007
  216    HB   VAL  28           HB       VAL  28  61.125   1.494 -10.470
  217   1HG1  VAL  28          HG12      VAL  28  61.395   3.823 -11.277
  218   2HG1  VAL  28          HG11      VAL  28  62.925   3.936 -10.408
  219   3HG1  VAL  28          HG13      VAL  28  62.758   2.809 -11.754
  220   1HG2  VAL  28          HG22      VAL  28  63.571   2.066  -8.775
  221   2HG2  VAL  28          HG21      VAL  28  62.659   0.559  -8.851
  222   3HG2  VAL  28          HG23      VAL  28  63.604   1.087 -10.243
  223    H    LEU  29           HN       LEU  29  58.506   3.107  -8.769
  224    HA   LEU  29           HA       LEU  29  57.021   4.709  -9.711
  225   1HB   LEU  29           HB2      LEU  29  58.890   5.795  -7.736
  226   2HB   LEU  29           HB1      LEU  29  58.201   7.044  -8.773
  227    HG   LEU  29           HG       LEU  29  56.841   6.537  -6.701
  228   1HD1  LEU  29          HD11      LEU  29  56.013   6.849  -9.427
  229   2HD1  LEU  29          HD13      LEU  29  54.861   5.789  -8.613
  230   3HD1  LEU  29          HD12      LEU  29  55.191   7.397  -7.966
  231   1HD2  LEU  29          HD23      LEU  29  57.302   3.894  -7.518
  232   2HD2  LEU  29          HD22      LEU  29  56.219   4.416  -6.230
  233   3HD2  LEU  29          HD21      LEU  29  55.596   4.175  -7.862
  234    H    GLY  30           HN       GLY  30  57.589   4.422 -11.993
  235   1HA   GLY  30           HA2      GLY  30  58.512   5.085 -14.061
  236   2HA   GLY  30           HA1      GLY  30  58.162   6.703 -13.450
  237    H    ALA  31           HN       ALA  31  59.930   7.984 -13.604
  238    HA   ALA  31           HA       ALA  31  62.184   8.685 -13.459
  239   1HB   ALA  31           HB3      ALA  31  61.561   6.938 -11.302
  240   2HB   ALA  31           HB2      ALA  31  63.182   6.513 -11.853
  241   3HB   ALA  31           HB1      ALA  31  62.824   8.167 -11.356
  242    H    GLU  32           HN       GLU  32  64.135   8.266 -14.576
  243    HA   GLU  32           HA       GLU  32  64.198   5.686 -16.099
  244   1HB   GLU  32           HB2      GLU  32  65.482   7.038 -17.740
  245   2HB   GLU  32           HB1      GLU  32  63.908   7.757 -17.396
  246   1HG   GLU  32           HG2      GLU  32  65.719   8.776 -15.462
  247   2HG   GLU  32           HG1      GLU  32  66.515   8.909 -17.031
  248    H    ASP  33           HN       ASP  33  65.241   5.561 -13.525
  249    HA   ASP  33           HA       ASP  33  68.112   5.093 -14.092
  250   1HB   ASP  33           HB2      ASP  33  67.491   7.503 -13.179
  251   2HB   ASP  33           HB1      ASP  33  67.393   6.657 -11.634
  252    H    GLY  34           HN       GLY  34  65.509   3.630 -13.241
  253   1HA   GLY  34           HA2      GLY  34  64.896   1.936 -11.727
  254   2HA   GLY  34           HA1      GLY  34  66.620   1.557 -11.729
  255    H    CYS  35           HN       CYS  35  65.072   4.533 -10.560
  256    HA   CYS  35           HA       CYS  35  66.210   3.929  -7.851
  257   1HB   CYS  35           HB2      CYS  35  65.760   6.462  -9.442
  258   2HB   CYS  35           HB1      CYS  35  66.104   6.499  -7.713
  259    HG   CYS  35           HG       CYS  35  68.274   6.475  -9.526
  260    H    ILE  36           HN       ILE  36  64.862   4.355  -6.026
  261    HA   ILE  36           HA       ILE  36  61.951   4.647  -6.680
  262    HB   ILE  36           HB       ILE  36  61.623   3.373  -4.606
  263   1HG1  ILE  36          HG12      ILE  36  64.653   3.454  -4.395
  264   2HG1  ILE  36          HG11      ILE  36  63.539   4.350  -3.362
  265   1HG2  ILE  36          HG22      ILE  36  63.678   2.299  -6.547
  266   2HG2  ILE  36          HG21      ILE  36  62.990   1.305  -5.263
  267   3HG2  ILE  36          HG23      ILE  36  61.945   1.979  -6.512
  268   1HD1  ILE  36          HD12      ILE  36  62.793   1.553  -3.470
  269   2HD1  ILE  36          HD11      ILE  36  64.472   1.726  -2.958
  270   3HD1  ILE  36          HD13      ILE  36  63.188   2.543  -2.065
  271    H    SER  37           HN       SER  37  60.663   5.843  -5.018
  272    HA   SER  37           HA       SER  37  62.038   8.310  -4.204
  273   1HB   SER  37           HB2      SER  37  59.941   9.094  -4.527
  274   2HB   SER  37           HB1      SER  37  59.447   7.458  -4.953
  275    HG   SER  37           HG       SER  37  59.109   8.888  -2.604
  276    H    THR  38           HN       THR  38  62.784   8.701  -2.151
  277    HA   THR  38           HA       THR  38  63.185   6.836  -0.151
  278    HB   THR  38           HB       THR  38  63.374   8.803   1.335
  279    HG1  THR  38           HG1      THR  38  62.784  10.820  -0.055
  280   1HG2  THR  38          HG22      THR  38  64.567   8.536  -1.280
  281   2HG2  THR  38          HG21      THR  38  64.438  10.240  -0.847
  282   3HG2  THR  38          HG23      THR  38  65.295   9.123   0.215
  283    H    LYS  39           HN       LYS  39  60.241   8.761  -0.686
  284    HA   LYS  39           HA       LYS  39  58.874   8.019   1.727
  285   1HB   LYS  39           HB2      LYS  39  58.012   8.923  -1.032
  286   2HB   LYS  39           HB1      LYS  39  56.872   8.718   0.298
  287   1HG   LYS  39           HG2      LYS  39  57.577  10.602   1.354
  288   2HG   LYS  39           HG1      LYS  39  59.274  10.274   0.999
  289   1HD   LYS  39           HD2      LYS  39  57.538  11.011  -1.305
  290   2HD   LYS  39           HD1      LYS  39  57.933  12.295  -0.163
  291   1HE   LYS  39           HE2      LYS  39  60.377  11.604  -0.400
  292   2HE   LYS  39           HE1      LYS  39  59.864  10.594  -1.766
  293   1HZ   LYS  39           HZ3      LYS  39  58.568  12.826  -2.334
  294   2HZ   LYS  39           HZ2      LYS  39  59.898  13.500  -1.520
  295   3HZ   LYS  39           HZ1      LYS  39  60.142  12.527  -2.890
  296    H    GLU  40           HN       GLU  40  59.705   6.173  -1.022
  297    HA   GLU  40           HA       GLU  40  57.440   4.268  -0.644
  298   1HB   GLU  40           HB2      GLU  40  59.598   4.672  -2.732
  299   2HB   GLU  40           HB1      GLU  40  58.487   3.303  -2.764
  300   1HG   GLU  40           HG2      GLU  40  57.503   6.155  -2.600
  301   2HG   GLU  40           HG1      GLU  40  57.809   5.361  -4.145
  302    H    LEU  41           HN       LEU  41  60.985   4.477  -0.492
  303    HA   LEU  41           HA       LEU  41  61.806   1.859  -0.172
  304   1HB   LEU  41           HB2      LEU  41  62.974   4.208   0.095
  305   2HB   LEU  41           HB1      LEU  41  62.664   3.951   1.812
  306    HG   LEU  41           HG       LEU  41  64.297   2.222  -0.056
  307   1HD1  LEU  41          HD13      LEU  41  65.104   4.323   1.390
  308   2HD1  LEU  41          HD12      LEU  41  65.156   3.105   2.664
  309   3HD1  LEU  41          HD11      LEU  41  66.113   2.890   1.199
  310   1HD2  LEU  41          HD23      LEU  41  63.141   1.610   2.674
  311   2HD2  LEU  41          HD22      LEU  41  63.015   0.647   1.201
  312   3HD2  LEU  41          HD21      LEU  41  64.559   0.770   2.045
  313    H    GLY  42           HN       GLY  42  60.150   3.855   2.276
  314   1HA   GLY  42           HA2      GLY  42  60.341   2.220   4.525
  315   2HA   GLY  42           HA1      GLY  42  58.901   3.170   4.152
  316    H    LYS  43           HN       LYS  43  57.510   2.100   2.327
  317    HA   LYS  43           HA       LYS  43  56.408  -0.313   3.230
  318   1HB   LYS  43           HB2      LYS  43  56.498   1.206   0.649
  319   2HB   LYS  43           HB1      LYS  43  55.756  -0.395   0.647
  320   1HG   LYS  43           HG2      LYS  43  54.024   0.252   2.035
  321   2HG   LYS  43           HG1      LYS  43  54.986   1.500   2.827
  322   1HD   LYS  43           HD2      LYS  43  54.528   3.072   1.216
  323   2HD   LYS  43           HD1      LYS  43  54.446   1.875  -0.077
  324   1HE   LYS  43           HE2      LYS  43  52.198   2.785   0.351
  325   2HE   LYS  43           HE1      LYS  43  52.249   1.087   0.865
  326   1HZ   LYS  43           HZ3      LYS  43  53.136   3.040   2.824
  327   2HZ   LYS  43           HZ2      LYS  43  51.475   3.069   2.469
  328   3HZ   LYS  43           HZ1      LYS  43  52.201   1.642   3.037
  329    H    VAL  44           HN       VAL  44  59.107   0.190   0.986
  330    HA   VAL  44           HA       VAL  44  59.341  -2.531   0.082
  331    HB   VAL  44           HB       VAL  44  61.061  -0.066   0.204
  332   1HG1  VAL  44          HG13      VAL  44  61.954  -2.844  -0.613
  333   2HG1  VAL  44          HG12      VAL  44  62.782  -1.372  -1.125
  334   3HG1  VAL  44          HG11      VAL  44  62.699  -1.787   0.587
  335   1HG2  VAL  44          HG22      VAL  44  59.207  -0.577  -1.520
  336   2HG2  VAL  44          HG21      VAL  44  60.778  -0.084  -2.152
  337   3HG2  VAL  44          HG23      VAL  44  60.317  -1.787  -2.165
  338    H    MET  45           HN       MET  45  60.633  -0.788   2.888
  339    HA   MET  45           HA       MET  45  62.522  -2.771   3.740
  340   1HB   MET  45           HB2      MET  45  60.993  -0.490   4.960
  341   2HB   MET  45           HB1      MET  45  61.926  -1.556   6.013
  342   1HG   MET  45           HG2      MET  45  63.155  -0.355   3.535
  343   2HG   MET  45           HG1      MET  45  63.121   0.534   5.058
  344   1HE   MET  45           HE2      MET  45  65.289   0.874   4.956
  345   2HE   MET  45           HE1      MET  45  66.477  -0.114   5.801
  346   3HE   MET  45           HE3      MET  45  66.304  -0.241   4.046
  347    H    ARG  46           HN       ARG  46  59.130  -2.175   4.738
  348    HA   ARG  46           HA       ARG  46  59.006  -4.511   6.457
  349   1HB   ARG  46           HB2      ARG  46  56.623  -3.899   6.542
  350   2HB   ARG  46           HB1      ARG  46  57.624  -2.453   6.674
  351   1HG   ARG  46           HG2      ARG  46  57.106  -1.729   4.525
  352   2HG   ARG  46           HG1      ARG  46  56.730  -3.357   3.958
  353   1HD   ARG  46           HD2      ARG  46  54.542  -3.109   4.501
  354   2HD   ARG  46           HD1      ARG  46  54.956  -2.548   6.133
  355    HE   ARG  46           HE       ARG  46  54.636  -0.821   3.745
  356   1HH1  ARG  46          HH11      ARG  46  56.867  -0.606   6.105
  357   2HH1  ARG  46          HH12      ARG  46  56.224   0.794   6.898
  358   1HH2  ARG  46          HH21      ARG  46  53.221   0.724   5.166
  359   2HH2  ARG  46          HH22      ARG  46  54.160   1.546   6.366
  360    H    MET  47           HN       MET  47  58.912  -4.103   3.071
  361    HA   MET  47           HA       MET  47  57.051  -6.207   2.370
  362   1HB   MET  47           HB2      MET  47  58.808  -4.275   1.136
  363   2HB   MET  47           HB1      MET  47  59.009  -5.842   0.352
  364   1HG   MET  47           HG2      MET  47  56.615  -6.004  -0.051
  365   2HG   MET  47           HG1      MET  47  56.329  -4.520   0.858
  366   1HE   MET  47           HE1      MET  47  58.537  -6.004  -1.976
  367   2HE   MET  47           HE3      MET  47  56.838  -6.100  -2.461
  368   3HE   MET  47           HE2      MET  47  57.958  -5.076  -3.357
  369    H    LEU  48           HN       LEU  48  60.478  -6.111   3.185
  370    HA   LEU  48           HA       LEU  48  60.809  -8.967   2.404
  371   1HB   LEU  48           HB2      LEU  48  62.447  -6.566   2.646
  372   2HB   LEU  48           HB1      LEU  48  63.190  -7.941   3.464
  373    HG   LEU  48           HG       LEU  48  62.460  -9.199   1.228
  374   1HD1  LEU  48          HD11      LEU  48  62.494  -6.270   0.563
  375   2HD1  LEU  48          HD13      LEU  48  63.061  -7.436  -0.634
  376   3HD1  LEU  48          HD12      LEU  48  61.410  -7.532  -0.022
  377   1HD2  LEU  48          HD21      LEU  48  64.866  -7.633   2.001
  378   2HD2  LEU  48          HD23      LEU  48  64.720  -9.342   1.592
  379   3HD2  LEU  48          HD22      LEU  48  64.776  -8.131   0.311
  380    H    GLY  49           HN       GLY  49  60.274  -6.968   5.174
  381   1HA   GLY  49           HA2      GLY  49  59.536  -8.511   7.134
  382   2HA   GLY  49           HA1      GLY  49  61.176  -9.149   6.998
  383    H    GLN  50           HN       GLN  50  62.716  -6.935   6.650
  384    HA   GLN  50           HA       GLN  50  63.223  -5.887   9.160
  385   1HB   GLN  50           HB2      GLN  50  63.667  -5.093   6.344
  386   2HB   GLN  50           HB1      GLN  50  63.849  -3.789   7.519
  387   1HG   GLN  50           HG2      GLN  50  66.005  -4.757   7.393
  388   2HG   GLN  50           HG1      GLN  50  65.304  -5.453   8.855
  389   1HE2  GLN  50          HE22      GLN  50  66.545  -7.953   6.037
  390   2HE2  GLN  50          HE21      GLN  50  67.060  -6.344   6.198
  391    H    ASN  51           HN       ASN  51  62.326  -4.290  10.458
  392    HA   ASN  51           HA       ASN  51  59.993  -2.767   9.338
  393   1HB   ASN  51           HB2      ASN  51  60.436  -3.924  12.111
  394   2HB   ASN  51           HB1      ASN  51  59.009  -3.023  11.598
  395   1HD2  ASN  51          HD22      ASN  51  58.462  -6.760  11.192
  396   2HD2  ASN  51          HD21      ASN  51  59.007  -5.825  12.501
  397    HA   PRO  52           HA       PRO  52  63.226   0.111  11.030
  398   1HB   PRO  52           HB2      PRO  52  63.306   1.752   8.841
  399   2HB   PRO  52           HB1      PRO  52  64.313   0.298   8.996
  400   1HG   PRO  52           HG2      PRO  52  61.797   0.701   7.463
  401   2HG   PRO  52           HG1      PRO  52  63.240  -0.231   7.039
  402   1HD   PRO  52           HD2      PRO  52  60.930  -1.352   7.975
  403   2HD   PRO  52           HD1      PRO  52  62.538  -2.082   8.183
  404    H    THR  53           HN       THR  53  62.935   2.704  10.916
  405    HA   THR  53           HA       THR  53  60.009   3.262  11.289
  406    HB   THR  53           HB       THR  53  61.253   3.217  13.383
  407    HG1  THR  53           HG1      THR  53  60.141   4.908  13.871
  408   1HG2  THR  53          HG21      THR  53  63.279   4.496  11.713
  409   2HG2  THR  53          HG23      THR  53  63.057   5.326  13.253
  410   3HG2  THR  53          HG22      THR  53  63.471   3.612  13.227
  411    HA   PRO  54           HA       PRO  54  60.484   6.457   8.306
  412   1HB   PRO  54           HB2      PRO  54  58.532   8.184   9.140
  413   2HB   PRO  54           HB1      PRO  54  58.178   6.645   8.331
  414   1HG   PRO  54           HG2      PRO  54  58.070   7.328  11.225
  415   2HG   PRO  54           HG1      PRO  54  56.992   6.302  10.266
  416   1HD   PRO  54           HD2      PRO  54  58.931   5.323  11.920
  417   2HD   PRO  54           HD1      PRO  54  58.334   4.463  10.484
  418    H    GLU  55           HN       GLU  55  61.016   6.956  11.656
  419    HA   GLU  55           HA       GLU  55  61.647   9.789  11.603
  420   1HB   GLU  55           HB2      GLU  55  61.068   8.068  13.527
  421   2HB   GLU  55           HB1      GLU  55  62.814   7.817  13.545
  422   1HG   GLU  55           HG2      GLU  55  62.221   9.570  15.147
  423   2HG   GLU  55           HG1      GLU  55  63.137  10.271  13.812
  424    H    GLU  56           HN       GLU  56  63.645   6.815  11.538
  425    HA   GLU  56           HA       GLU  56  66.136   8.300  11.210
  426   1HB   GLU  56           HB2      GLU  56  65.220   5.650  11.782
  427   2HB   GLU  56           HB1      GLU  56  66.327   5.559  10.411
  428   1HG   GLU  56           HG2      GLU  56  67.929   5.551  12.037
  429   2HG   GLU  56           HG1      GLU  56  67.674   7.296  12.015
  430    H    LEU  57           HN       LEU  57  63.738   6.873   9.079
  431    HA   LEU  57           HA       LEU  57  65.170   6.502   6.694
  432   1HB   LEU  57           HB2      LEU  57  62.440   6.959   7.589
  433   2HB   LEU  57           HB1      LEU  57  62.716   7.675   6.001
  434    HG   LEU  57           HG       LEU  57  61.967   5.297   5.863
  435   1HD1  LEU  57          HD12      LEU  57  63.784   6.548   4.337
  436   2HD1  LEU  57          HD11      LEU  57  64.810   5.254   4.956
  437   3HD1  LEU  57          HD13      LEU  57  63.340   4.863   4.063
  438   1HD2  LEU  57          HD21      LEU  57  64.503   4.917   7.461
  439   2HD2  LEU  57          HD23      LEU  57  62.889   4.296   7.807
  440   3HD2  LEU  57          HD22      LEU  57  63.832   3.615   6.480
  441    H    GLN  58           HN       GLN  58  63.161   9.421   7.143
  442    HA   GLN  58           HA       GLN  58  64.351  11.037   5.206
  443   1HB   GLN  58           HB2      GLN  58  63.012  11.522   7.856
  444   2HB   GLN  58           HB1      GLN  58  63.632  12.891   6.934
  445   1HG   GLN  58           HG2      GLN  58  62.127  10.998   5.280
  446   2HG   GLN  58           HG1      GLN  58  61.155  11.707   6.570
  447   1HE2  GLN  58          HE22      GLN  58  62.861  14.319   3.874
  448   2HE2  GLN  58          HE21      GLN  58  63.709  12.913   4.305
  449    H    GLU  59           HN       GLU  59  65.311  10.783   8.651
  450    HA   GLU  59           HA       GLU  59  67.391  12.654   8.732
  451   1HB   GLU  59           HB2      GLU  59  66.371  10.532  10.272
  452   2HB   GLU  59           HB1      GLU  59  68.088  10.172  10.076
  453   1HG   GLU  59           HG2      GLU  59  67.217  12.956  10.809
  454   2HG   GLU  59           HG1      GLU  59  67.332  11.712  12.055
  455    H    MET  60           HN       MET  60  67.841   9.154   8.065
  456    HA   MET  60           HA       MET  60  70.547   9.249   7.280
  457   1HB   MET  60           HB2      MET  60  68.260   7.478   7.149
  458   2HB   MET  60           HB1      MET  60  69.217   7.340   5.674
  459   1HG   MET  60           HG2      MET  60  71.254   7.262   7.326
  460   2HG   MET  60           HG1      MET  60  70.035   6.800   8.515
  461   1HE   MET  60           HE3      MET  60  68.082   5.554   7.646
  462   2HE   MET  60           HE2      MET  60  68.042   4.825   6.042
  463   3HE   MET  60           HE1      MET  60  68.383   3.822   7.450
  464    H    ILE  61           HN       ILE  61  67.705   9.250   5.089
  465    HA   ILE  61           HA       ILE  61  68.998   9.706   2.651
  466    HB   ILE  61           HB       ILE  61  66.384  10.823   3.719
  467   1HG1  ILE  61          HG12      ILE  61  66.655   8.417   1.946
  468   2HG1  ILE  61          HG11      ILE  61  66.978   8.244   3.671
  469   1HG2  ILE  61          HG23      ILE  61  67.398  11.794   1.529
  470   2HG2  ILE  61          HG22      ILE  61  67.014  10.219   0.834
  471   3HG2  ILE  61          HG21      ILE  61  65.727  11.229   1.493
  472   1HD1  ILE  61          HD12      ILE  61  64.467   9.586   2.668
  473   2HD1  ILE  61          HD11      ILE  61  64.555   7.837   2.881
  474   3HD1  ILE  61          HD13      ILE  61  64.784   8.906   4.265
  475    H    ASP  62           HN       ASP  62  67.915  12.157   5.025
  476    HA   ASP  62           HA       ASP  62  68.568  14.513   3.658
  477   1HB   ASP  62           HB2      ASP  62  67.453  14.397   5.837
  478   2HB   ASP  62           HB1      ASP  62  68.925  13.772   6.581
  479    H    GLU  63           HN       GLU  63  70.738  12.394   5.542
  480    HA   GLU  63           HA       GLU  63  73.075  14.077   4.897
  481   1HB   GLU  63           HB2      GLU  63  73.305  13.251   7.030
  482   2HB   GLU  63           HB1      GLU  63  72.312  11.836   6.695
  483   1HG   GLU  63           HG2      GLU  63  74.138  10.716   5.605
  484   2HG   GLU  63           HG1      GLU  63  75.128  12.176   5.635
  485    H    VAL  64           HN       VAL  64  71.402  11.366   3.583
  486    HA   VAL  64           HA       VAL  64  73.771  10.319   2.142
  487    HB   VAL  64           HB       VAL  64  70.839   9.570   2.324
  488   1HG1  VAL  64          HG13      VAL  64  72.908   8.787   0.392
  489   2HG1  VAL  64          HG12      VAL  64  72.165   7.416   1.217
  490   3HG1  VAL  64          HG11      VAL  64  71.160   8.557   0.323
  491   1HG2  VAL  64          HG21      VAL  64  73.320   8.834   3.725
  492   2HG2  VAL  64          HG23      VAL  64  71.643   8.633   4.232
  493   3HG2  VAL  64          HG22      VAL  64  72.389   7.446   3.161
  494    H    ASP  65           HN       ASP  65  70.661  11.927   1.442
  495    HA   ASP  65           HA       ASP  65  70.978  11.995  -1.419
  496   1HB   ASP  65           HB2      ASP  65  69.090  13.506  -1.289
  497   2HB   ASP  65           HB1      ASP  65  68.879  12.290  -0.029
  498    H    GLU  66           HN       GLU  66  73.454  12.693  -0.919
  499    HA   GLU  66           HA       GLU  66  74.299  15.219  -0.174
  500   1HB   GLU  66           HB2      GLU  66  75.226  13.028  -1.705
  501   2HB   GLU  66           HB1      GLU  66  75.517  14.465  -2.687
  502   1HG   GLU  66           HG2      GLU  66  77.460  14.271  -1.343
  503   2HG   GLU  66           HG1      GLU  66  76.495  15.513  -0.543
  504    H    ASP  67           HN       ASP  67  73.065  14.346  -3.428
  505    HA   ASP  67           HA       ASP  67  72.983  17.198  -4.204
  506   1HB   ASP  67           HB2      ASP  67  72.959  14.542  -5.445
  507   2HB   ASP  67           HB1      ASP  67  71.815  15.655  -6.197
  508    H    GLY  68           HN       GLY  68  71.046  15.432  -2.290
  509   1HA   GLY  68           HA2      GLY  68  68.786  15.578  -1.680
  510   2HA   GLY  68           HA1      GLY  68  68.776  17.126  -2.528
  511    H    SER  69           HN       SER  69  68.945  13.652  -3.403
  512    HA   SER  69           HA       SER  69  67.381  14.203  -5.856
  513   1HB   SER  69           HB2      SER  69  69.387  12.739  -5.841
  514   2HB   SER  69           HB1      SER  69  68.586  11.668  -4.695
  515    HG   SER  69           HG       SER  69  68.230  10.849  -6.723
  516    H    GLY  70           HN       GLY  70  67.002  12.690  -2.692
  517   1HA   GLY  70           HA2      GLY  70  65.044  12.017  -1.578
  518   2HA   GLY  70           HA1      GLY  70  64.120  12.776  -2.876
  519    H    THR  71           HN       THR  71  66.476  10.499  -3.903
  520    HA   THR  71           HA       THR  71  64.553   8.236  -3.906
  521    HB   THR  71           HB       THR  71  64.571   8.104  -6.334
  522    HG1  THR  71           HG1      THR  71  66.245   8.896  -7.286
  523   1HG2  THR  71          HG22      THR  71  63.021   9.744  -5.162
  524   2HG2  THR  71          HG21      THR  71  64.156  11.013  -5.622
  525   3HG2  THR  71          HG23      THR  71  63.327  10.078  -6.867
  526    H    VAL  72           HN       VAL  72  65.672   6.328  -3.701
  527    HA   VAL  72           HA       VAL  72  68.644   6.426  -3.997
  528    HB   VAL  72           HB       VAL  72  68.285   4.176  -2.655
  529   1HG1  VAL  72          HG13      VAL  72  68.018   6.999  -1.648
  530   2HG1  VAL  72          HG12      VAL  72  68.092   5.629  -0.539
  531   3HG1  VAL  72          HG11      VAL  72  69.440   5.953  -1.630
  532   1HG2  VAL  72          HG23      VAL  72  65.731   4.431  -3.029
  533   2HG2  VAL  72          HG22      VAL  72  66.286   4.008  -1.409
  534   3HG2  VAL  72          HG21      VAL  72  65.814   5.668  -1.774
  535    H    ASP  73           HN       ASP  73  69.637   4.316  -4.705
  536    HA   ASP  73           HA       ASP  73  67.983   2.969  -6.812
  537   1HB   ASP  73           HB2      ASP  73  69.882   4.711  -7.384
  538   2HB   ASP  73           HB1      ASP  73  70.960   3.370  -6.997
  539    H    PHE  74           HN       PHE  74  69.705   0.952  -7.499
  540    HA   PHE  74           HA       PHE  74  69.511  -0.872  -5.275
  541   1HB   PHE  74           HB2      PHE  74  69.580  -1.154  -7.906
  542   2HB   PHE  74           HB1      PHE  74  71.316  -1.301  -7.635
  543    HD1  PHE  74           HD1      PHE  74  68.179  -2.503  -5.949
  544    HD2  PHE  74           HD2      PHE  74  72.087  -3.479  -7.437
  545    HE1  PHE  74           HE1      PHE  74  67.868  -4.853  -5.219
  546    HE2  PHE  74           HE2      PHE  74  71.778  -5.831  -6.708
  547    HZ   PHE  74           HZ       PHE  74  69.667  -6.518  -5.599
  548    H    ASP  75           HN       ASP  75  72.008   1.322  -6.344
  549    HA   ASP  75           HA       ASP  75  74.170  -0.041  -4.897
  550   1HB   ASP  75           HB2      ASP  75  74.351   1.350  -7.018
  551   2HB   ASP  75           HB1      ASP  75  74.057   2.772  -6.017
  552    H    GLU  76           HN       GLU  76  71.993   2.713  -4.345
  553    HA   GLU  76           HA       GLU  76  73.353   3.445  -1.835
  554   1HB   GLU  76           HB2      GLU  76  70.907   4.387  -3.350
  555   2HB   GLU  76           HB1      GLU  76  71.387   5.084  -1.804
  556   1HG   GLU  76           HG2      GLU  76  73.319   4.876  -4.117
  557   2HG   GLU  76           HG1      GLU  76  72.247   6.264  -3.925
  558    H    PHE  77           HN       PHE  77  70.081   2.276  -2.752
  559    HA   PHE  77           HA       PHE  77  68.928   1.928  -0.248
  560   1HB   PHE  77           HB2      PHE  77  67.813   1.477  -2.375
  561   2HB   PHE  77           HB1      PHE  77  68.883   0.107  -2.677
  562    HD1  PHE  77           HD1      PHE  77  67.500   0.990   0.641
  563    HD2  PHE  77           HD2      PHE  77  67.197  -1.618  -2.758
  564    HE1  PHE  77           HE1      PHE  77  65.968  -0.490   1.913
  565    HE2  PHE  77           HE2      PHE  77  65.666  -3.098  -1.487
  566    HZ   PHE  77           HZ       PHE  77  65.051  -2.534   0.849
  567    H    LEU  78           HN       LEU  78  70.956  -0.512  -1.932
  568    HA   LEU  78           HA       LEU  78  71.014  -2.502   0.040
  569   1HB   LEU  78           HB2      LEU  78  73.080  -1.468  -1.916
  570   2HB   LEU  78           HB1      LEU  78  73.334  -2.933  -0.968
  571    HG   LEU  78           HG       LEU  78  71.123  -2.408  -2.970
  572   1HD1  LEU  78          HD12      LEU  78  73.549  -4.182  -2.834
  573   2HD1  LEU  78          HD11      LEU  78  72.160  -4.662  -3.808
  574   3HD1  LEU  78          HD13      LEU  78  73.001  -3.152  -4.157
  575   1HD2  LEU  78          HD21      LEU  78  71.376  -4.381  -0.743
  576   2HD2  LEU  78          HD23      LEU  78  69.928  -3.652  -1.437
  577   3HD2  LEU  78          HD22      LEU  78  70.741  -4.972  -2.278
  578    H    VAL  79           HN       VAL  79  73.276   0.265  -0.282
  579    HA   VAL  79           HA       VAL  79  74.853  -0.255   2.016
  580    HB   VAL  79           HB       VAL  79  73.976   2.352   0.727
  581   1HG1  VAL  79          HG12      VAL  79  75.416   1.932   3.118
  582   2HG1  VAL  79          HG11      VAL  79  76.620   2.350   1.898
  583   3HG1  VAL  79          HG13      VAL  79  75.271   3.439   2.214
  584   1HG2  VAL  79          HG22      VAL  79  75.582   0.200  -0.209
  585   2HG2  VAL  79          HG21      VAL  79  75.349   1.777  -0.965
  586   3HG2  VAL  79          HG23      VAL  79  76.675   1.531   0.170
  587    H    MET  80           HN       MET  80  72.007   1.913   1.727
  588    HA   MET  80           HA       MET  80  71.786   2.654   4.444
  589   1HB   MET  80           HB2      MET  80  69.793   2.217   2.207
  590   2HB   MET  80           HB1      MET  80  69.314   2.890   3.766
  591   1HG   MET  80           HG2      MET  80  71.632   4.305   3.004
  592   2HG   MET  80           HG1      MET  80  70.634   4.204   1.554
  593   1HE   MET  80           HE3      MET  80  69.480   5.918   0.952
  594   2HE   MET  80           HE2      MET  80  67.994   5.134   1.483
  595   3HE   MET  80           HE1      MET  80  68.258   6.838   1.840
  596    H    MET  81           HN       MET  81  70.558  -0.233   2.760
  597    HA   MET  81           HA       MET  81  69.013  -1.308   4.918
  598   1HB   MET  81           HB2      MET  81  70.188  -2.151   2.340
  599   2HB   MET  81           HB1      MET  81  69.928  -3.468   3.485
  600   1HG   MET  81           HG2      MET  81  67.816  -1.434   2.718
  601   2HG   MET  81           HG1      MET  81  67.947  -3.045   2.014
  602   1HE   MET  81           HE3      MET  81  68.677  -4.862   3.500
  603   2HE   MET  81           HE2      MET  81  68.794  -4.667   5.247
  604   3HE   MET  81           HE1      MET  81  67.412  -5.511   4.553
  605    H    VAL  82           HN       VAL  82  72.449  -1.597   4.059
  606    HA   VAL  82           HA       VAL  82  73.110  -3.604   6.028
  607    HB   VAL  82           HB       VAL  82  74.759  -1.462   4.641
  608   1HG1  VAL  82          HG11      VAL  82  75.552  -2.979   6.764
  609   2HG1  VAL  82          HG13      VAL  82  75.964  -4.049   5.425
  610   3HG1  VAL  82          HG12      VAL  82  76.643  -2.422   5.495
  611   1HG2  VAL  82          HG22      VAL  82  73.419  -3.801   3.668
  612   2HG2  VAL  82          HG21      VAL  82  74.467  -2.695   2.779
  613   3HG2  VAL  82          HG23      VAL  82  75.157  -4.093   3.605
  614    H    ARG  83           HN       ARG  83  72.770  -0.111   6.116
  615    HA   ARG  83           HA       ARG  83  74.166   0.231   8.667
  616   1HB   ARG  83           HB2      ARG  83  73.530   1.818   6.559
  617   2HB   ARG  83           HB1      ARG  83  72.214   2.235   7.658
  618   1HG   ARG  83           HG2      ARG  83  73.846   2.748   9.432
  619   2HG   ARG  83           HG1      ARG  83  75.168   2.317   8.345
  620   1HD   ARG  83           HD2      ARG  83  74.162   4.101   6.743
  621   2HD   ARG  83           HD1      ARG  83  73.301   4.685   8.181
  622    HE   ARG  83           HE       ARG  83  76.039   4.245   8.869
  623   1HH1  ARG  83          HH11      ARG  83  75.107   5.862   6.131
  624   2HH1  ARG  83          HH12      ARG  83  75.668   7.425   6.624
  625   1HH2  ARG  83          HH21      ARG  83  76.303   6.459   9.894
  626   2HH2  ARG  83          HH22      ARG  83  76.344   7.763   8.754
  627    H    CYS  84           HN       CYS  84  70.888  -0.427   7.606
  628    HA   CYS  84           HA       CYS  84  69.637   0.298  10.157
  629   1HB   CYS  84           HB2      CYS  84  68.789   0.112   7.611
  630   2HB   CYS  84           HB1      CYS  84  68.348  -1.506   8.157
  631    HG   CYS  84           HG       CYS  84  66.701  -0.520   9.827
  632    H    MET  85           HN       MET  85  70.730  -2.676   8.549
  633    HA   MET  85           HA       MET  85  69.755  -4.359  10.779
  634   1HB   MET  85           HB2      MET  85  70.649  -6.162   9.300
  635   2HB   MET  85           HB1      MET  85  69.542  -5.087   8.445
  636   1HG   MET  85           HG2      MET  85  71.162  -4.642   6.951
  637   2HG   MET  85           HG1      MET  85  72.133  -3.939   8.243
  638   1HE   MET  85           HE3      MET  85  71.743  -6.203   5.635
  639   2HE   MET  85           HE2      MET  85  72.787  -7.605   5.855
  640   3HE   MET  85           HE1      MET  85  71.195  -7.574   6.608
  641    H    LYS  86           HN       LYS  86  71.043  -4.699  12.546
  642    HA   LYS  86           HA       LYS  86  73.970  -4.160  12.317
  643   1HB   LYS  86           HB2      LYS  86  71.893  -4.190  14.488
  644   2HB   LYS  86           HB1      LYS  86  73.593  -4.374  14.923
  645   1HG   LYS  86           HG2      LYS  86  72.604  -2.132  13.150
  646   2HG   LYS  86           HG1      LYS  86  72.712  -1.979  14.905
  647   1HD   LYS  86           HD2      LYS  86  75.177  -3.044  14.219
  648   2HD   LYS  86           HD1      LYS  86  74.845  -1.923  12.899
  649   1HE   LYS  86           HE2      LYS  86  75.685  -0.355  14.346
  650   2HE   LYS  86           HE1      LYS  86  74.074  -0.438  15.085
  651   1HZ   LYS  86           HZ3      LYS  86  74.858  -2.273  16.470
  652   2HZ   LYS  86           HZ2      LYS  86  76.412  -2.131  15.798
  653   3HZ   LYS  86           HZ1      LYS  86  75.773  -0.871  16.742
  654    H    ASP  87           HN       ASP  87  72.575  -6.696  11.401
  655    HA   ASP  87           HA       ASP  87  74.176  -8.598  13.076
  656   1HB   ASP  87           HB2      ASP  87  71.282  -8.528  12.359
  657   2HB   ASP  87           HB1      ASP  87  72.062 -10.110  12.351
  658    H    ASP  88           HN       ASP  88  75.325 -10.101  11.863
  659    HA   ASP  88           HA       ASP  88  75.327  -9.763   8.928
  660   1HB   ASP  88           HB2      ASP  88  76.984 -11.310  10.938
  661   2HB   ASP  88           HB1      ASP  88  77.292 -11.360   9.201
  662    H    SER  89           HN       SER  89  75.495 -12.718  10.942
  663    HA   SER  89           HA       SER  89  74.434 -14.812  10.665
  664   1HB   SER  89           HB2      SER  89  72.552 -12.844  10.641
  665   2HB   SER  89           HB1      SER  89  72.259 -13.578   9.068
  666    HG   SER  89           HG       SER  89  72.437 -14.974  11.538
   
  No H/Q in entry =         666
  Start of MODEL   19
    1   1H    MET   1           HT3      MET   1  89.533   5.559  -4.779
    2   2H    MET   1           HT2      MET   1  89.877   4.859  -6.288
    3   3H    MET   1           HT1      MET   1  89.472   6.505  -6.184
    4    HA   MET   1           HA       MET   1  87.228   6.060  -5.707
    5   1HB   MET   1           HB2      MET   1  88.669   4.685  -7.870
    6   2HB   MET   1           HB1      MET   1  87.076   4.000  -7.548
    7   1HG   MET   1           HG2      MET   1  86.720   5.734  -9.151
    8   2HG   MET   1           HG1      MET   1  86.186   6.394  -7.605
    9   1HE   MET   1           HE2      MET   1  86.092   8.456  -8.137
   10   2HE   MET   1           HE1      MET   1  87.400   9.636  -8.096
   11   3HE   MET   1           HE3      MET   1  86.903   8.913  -9.633
   12    H    ASP   2           HN       ASP   2  87.259   5.135  -3.475
   13    HA   ASP   2           HA       ASP   2  86.212   2.396  -3.454
   14   1HB   ASP   2           HB2      ASP   2  88.530   1.842  -3.496
   15   2HB   ASP   2           HB1      ASP   2  88.936   3.139  -2.369
   16    H    ASP   3           HN       ASP   3  84.618   2.443  -1.925
   17    HA   ASP   3           HA       ASP   3  84.847   4.429   0.307
   18   1HB   ASP   3           HB2      ASP   3  82.345   4.195   0.314
   19   2HB   ASP   3           HB1      ASP   3  82.980   4.771  -1.228
   20    H    ILE   4           HN       ILE   4  83.007   3.397   2.061
   21    HA   ILE   4           HA       ILE   4  84.317   0.855   2.929
   22    HB   ILE   4           HB       ILE   4  83.655   1.549   5.133
   23   1HG1  ILE   4          HG12      ILE   4  81.959   3.667   3.769
   24   2HG1  ILE   4          HG11      ILE   4  81.333   2.196   4.516
   25   1HG2  ILE   4          HG23      ILE   4  85.296   3.066   3.550
   26   2HG2  ILE   4          HG22      ILE   4  84.145   4.276   4.116
   27   3HG2  ILE   4          HG21      ILE   4  85.069   3.325   5.279
   28   1HD1  ILE   4          HD12      ILE   4  82.413   2.927   6.674
   29   2HD1  ILE   4          HD11      ILE   4  82.799   4.461   5.895
   30   3HD1  ILE   4          HD13      ILE   4  81.115   3.988   6.126
   31    H    TYR   5           HN       TYR   5  81.216   2.277   2.067
   32    HA   TYR   5           HA       TYR   5  79.484   0.242   3.087
   33   1HB   TYR   5           HB2      TYR   5  79.239   2.026   0.642
   34   2HB   TYR   5           HB1      TYR   5  77.902   1.240   1.482
   35    HD1  TYR   5           HD1      TYR   5  77.562   1.778   3.974
   36    HD2  TYR   5           HD2      TYR   5  80.043   4.126   1.369
   37    HE1  TYR   5           HE1      TYR   5  77.438   3.675   5.566
   38    HE2  TYR   5           HE2      TYR   5  79.918   6.024   2.960
   39    HH   TYR   5           HH       TYR   5  79.412   6.040   5.763
   40    H    LYS   6           HN       LYS   6  81.531   0.384   0.236
   41    HA   LYS   6           HA       LYS   6  80.404  -1.476  -1.504
   42   1HB   LYS   6           HB2      LYS   6  82.493  -0.262  -1.900
   43   2HB   LYS   6           HB1      LYS   6  83.285  -1.154  -0.600
   44   1HG   LYS   6           HG2      LYS   6  83.924  -2.619  -2.201
   45   2HG   LYS   6           HG1      LYS   6  82.248  -3.169  -2.193
   46   1HD   LYS   6           HD2      LYS   6  81.945  -2.388  -4.279
   47   2HD   LYS   6           HD1      LYS   6  82.447  -0.775  -3.773
   48   1HE   LYS   6           HE2      LYS   6  84.119  -1.235  -5.327
   49   2HE   LYS   6           HE1      LYS   6  84.875  -1.924  -3.876
   50   1HZ   LYS   6           HZ1      LYS   6  83.617  -4.021  -4.440
   51   2HZ   LYS   6           HZ3      LYS   6  83.313  -3.336  -5.962
   52   3HZ   LYS   6           HZ2      LYS   6  84.911  -3.636  -5.472
   53    H    ALA   7           HN       ALA   7  81.755  -2.030   1.674
   54    HA   ALA   7           HA       ALA   7  82.065  -4.913   1.397
   55   1HB   ALA   7           HB3      ALA   7  82.697  -2.826   3.215
   56   2HB   ALA   7           HB2      ALA   7  81.704  -3.982   4.104
   57   3HB   ALA   7           HB1      ALA   7  83.189  -4.517   3.317
   58    H    ALA   8           HN       ALA   8  79.394  -2.794   1.922
   59    HA   ALA   8           HA       ALA   8  77.670  -4.333   3.566
   60   1HB   ALA   8           HB3      ALA   8  77.365  -2.337   1.337
   61   2HB   ALA   8           HB2      ALA   8  75.926  -3.123   1.985
   62   3HB   ALA   8           HB1      ALA   8  76.960  -2.164   3.044
   63    H    VAL   9           HN       VAL   9  78.104  -4.416   0.017
   64    HA   VAL   9           HA       VAL   9  76.275  -6.713  -0.238
   65    HB   VAL   9           HB       VAL   9  78.026  -5.152  -2.164
   66   1HG1  VAL   9          HG13      VAL   9  76.007  -7.361  -2.613
   67   2HG1  VAL   9          HG12      VAL   9  76.502  -6.249  -3.889
   68   3HG1  VAL   9          HG11      VAL   9  77.690  -7.314  -3.138
   69   1HG2  VAL   9          HG23      VAL   9  76.052  -4.004  -1.020
   70   2HG2  VAL   9          HG22      VAL   9  76.010  -4.016  -2.783
   71   3HG2  VAL   9          HG21      VAL   9  75.013  -5.148  -1.869
   72    H    GLU  10           HN       GLU  10  79.728  -6.106  -0.050
   73    HA   GLU  10           HA       GLU  10  80.843  -8.356  -1.288
   74   1HB   GLU  10           HB2      GLU  10  81.868  -6.336  -0.012
   75   2HB   GLU  10           HB1      GLU  10  81.731  -7.361   1.419
   76   1HG   GLU  10           HG2      GLU  10  82.844  -9.039  -0.517
   77   2HG   GLU  10           HG1      GLU  10  83.659  -7.493  -0.762
   78    H    GLN  11           HN       GLN  11  79.066  -8.181   1.753
   79    HA   GLN  11           HA       GLN  11  79.814 -10.884   2.607
   80   1HB   GLN  11           HB2      GLN  11  78.192  -8.580   3.533
   81   2HB   GLN  11           HB1      GLN  11  77.652 -10.161   4.097
   82   1HG   GLN  11           HG2      GLN  11  79.209  -9.524   5.740
   83   2HG   GLN  11           HG1      GLN  11  80.160 -10.558   4.673
   84   1HE2  GLN  11          HE22      GLN  11  82.272  -7.937   3.574
   85   2HE2  GLN  11          HE21      GLN  11  81.831  -9.566   3.392
   86    H    LEU  12           HN       LEU  12  77.057  -9.343   0.986
   87    HA   LEU  12           HA       LEU  12  75.297 -11.626   1.081
   88   1HB   LEU  12           HB2      LEU  12  75.508  -9.222  -0.759
   89   2HB   LEU  12           HB1      LEU  12  74.122 -10.311  -0.706
   90    HG   LEU  12           HG       LEU  12  75.177  -8.731   1.657
   91   1HD1  LEU  12          HD13      LEU  12  73.038  -8.228  -0.382
   92   2HD1  LEU  12          HD12      LEU  12  72.764  -7.701   1.278
   93   3HD1  LEU  12          HD11      LEU  12  74.149  -7.088   0.377
   94   1HD2  LEU  12          HD21      LEU  12  72.818 -10.589   1.256
   95   2HD2  LEU  12          HD23      LEU  12  74.123 -10.742   2.433
   96   3HD2  LEU  12          HD22      LEU  12  72.924  -9.461   2.608
   97    H    THR  13           HN       THR  13  74.518 -12.469  -1.249
   98    HA   THR  13           HA       THR  13  76.968 -13.283  -2.781
   99    HB   THR  13           HB       THR  13  75.134 -15.324  -3.078
  100    HG1  THR  13           HG1      THR  13  73.743 -15.039  -1.541
  101   1HG2  THR  13          HG21      THR  13  77.593 -15.399  -2.486
  102   2HG2  THR  13          HG23      THR  13  77.124 -15.119  -0.809
  103   3HG2  THR  13          HG22      THR  13  76.594 -16.581  -1.639
  104    H    GLU  14           HN       GLU  14  76.154 -14.273  -5.008
  105    HA   GLU  14           HA       GLU  14  74.955 -12.200  -6.542
  106   1HB   GLU  14           HB2      GLU  14  76.291 -14.571  -6.962
  107   2HB   GLU  14           HB1      GLU  14  74.673 -14.956  -7.549
  108   1HG   GLU  14           HG2      GLU  14  74.957 -13.687  -9.390
  109   2HG   GLU  14           HG1      GLU  14  75.496 -12.312  -8.424
  110    H    GLU  15           HN       GLU  15  73.541 -15.132  -5.091
  111    HA   GLU  15           HA       GLU  15  70.964 -14.999  -6.280
  112   1HB   GLU  15           HB2      GLU  15  72.177 -16.745  -4.741
  113   2HB   GLU  15           HB1      GLU  15  71.445 -15.828  -3.424
  114   1HG   GLU  15           HG2      GLU  15  69.222 -16.199  -4.324
  115   2HG   GLU  15           HG1      GLU  15  69.891 -16.964  -5.766
  116    H    GLN  16           HN       GLN  16  72.171 -13.523  -3.250
  117    HA   GLN  16           HA       GLN  16  69.690 -12.295  -2.490
  118   1HB   GLN  16           HB2      GLN  16  72.618 -11.822  -1.911
  119   2HB   GLN  16           HB1      GLN  16  71.363 -10.831  -1.166
  120   1HG   GLN  16           HG2      GLN  16  70.777 -13.697  -1.020
  121   2HG   GLN  16           HG1      GLN  16  72.276 -13.263  -0.196
  122   1HE2  GLN  16          HE22      GLN  16  69.308 -12.759   2.107
  123   2HE2  GLN  16          HE21      GLN  16  69.821 -14.080   1.173
  124    H    LYS  17           HN       LYS  17  72.508 -11.042  -4.304
  125    HA   LYS  17           HA       LYS  17  71.769  -8.371  -4.657
  126   1HB   LYS  17           HB2      LYS  17  73.149 -10.440  -6.353
  127   2HB   LYS  17           HB1      LYS  17  72.909  -8.811  -6.983
  128   1HG   LYS  17           HG2      LYS  17  74.279  -7.836  -5.366
  129   2HG   LYS  17           HG1      LYS  17  74.062  -9.172  -4.234
  130   1HD   LYS  17           HD2      LYS  17  76.030  -9.990  -4.969
  131   2HD   LYS  17           HD1      LYS  17  75.225 -10.344  -6.498
  132   1HE   LYS  17           HE2      LYS  17  75.766  -8.006  -7.260
  133   2HE   LYS  17           HE1      LYS  17  76.724  -7.802  -5.780
  134   1HZ   LYS  17           HZ1      LYS  17  77.163 -10.257  -7.277
  135   2HZ   LYS  17           HZ3      LYS  17  77.729  -8.837  -8.013
  136   3HZ   LYS  17           HZ2      LYS  17  78.280  -9.268  -6.464
  137    H    ASN  18           HN       ASN  18  70.703 -11.183  -6.595
  138    HA   ASN  18           HA       ASN  18  69.030  -9.655  -8.387
  139   1HB   ASN  18           HB2      ASN  18  69.426 -12.526  -7.598
  140   2HB   ASN  18           HB1      ASN  18  68.053 -12.100  -8.619
  141   1HD2  ASN  18          HD22      ASN  18  70.995 -12.814 -10.834
  142   2HD2  ASN  18          HD21      ASN  18  70.143 -13.710  -9.671
  143    H    GLU  19           HN       GLU  19  68.451 -11.326  -5.306
  144    HA   GLU  19           HA       GLU  19  65.593 -11.179  -5.303
  145   1HB   GLU  19           HB2      GLU  19  67.380 -12.394  -3.792
  146   2HB   GLU  19           HB1      GLU  19  67.284 -10.919  -2.829
  147   1HG   GLU  19           HG2      GLU  19  65.370 -11.642  -1.898
  148   2HG   GLU  19           HG1      GLU  19  64.620 -11.712  -3.493
  149    H    PHE  20           HN       PHE  20  68.026  -8.990  -3.834
  150    HA   PHE  20           HA       PHE  20  66.166  -7.059  -2.842
  151   1HB   PHE  20           HB2      PHE  20  69.009  -7.466  -3.149
  152   2HB   PHE  20           HB1      PHE  20  68.601  -5.797  -3.549
  153    HD1  PHE  20           HD1      PHE  20  66.354  -5.166  -1.839
  154    HD2  PHE  20           HD2      PHE  20  69.850  -7.503  -0.964
  155    HE1  PHE  20           HE1      PHE  20  66.096  -4.648   0.571
  156    HE2  PHE  20           HE2      PHE  20  69.592  -6.985   1.448
  157    HZ   PHE  20           HZ       PHE  20  67.716  -5.557   2.216
  158    H    LYS  21           HN       LYS  21  67.773  -7.400  -5.993
  159    HA   LYS  21           HA       LYS  21  67.135  -4.866  -7.109
  160   1HB   LYS  21           HB2      LYS  21  68.572  -6.915  -7.909
  161   2HB   LYS  21           HB1      LYS  21  67.073  -7.434  -8.680
  162   1HG   LYS  21           HG2      LYS  21  67.042  -5.642 -10.148
  163   2HG   LYS  21           HG1      LYS  21  67.958  -4.599  -9.058
  164   1HD   LYS  21           HD2      LYS  21  69.980  -5.996  -9.472
  165   2HD   LYS  21           HD1      LYS  21  69.055  -6.945 -10.636
  166   1HE   LYS  21           HE2      LYS  21  69.144  -3.952 -10.940
  167   2HE   LYS  21           HE1      LYS  21  70.512  -4.932 -11.507
  168   1HZ   LYS  21           HZ3      LYS  21  68.642  -6.413 -12.479
  169   2HZ   LYS  21           HZ2      LYS  21  67.696  -5.006 -12.367
  170   3HZ   LYS  21           HZ1      LYS  21  69.106  -5.012 -13.314
  171    H    ALA  22           HN       ALA  22  65.299  -7.939  -7.280
  172    HA   ALA  22           HA       ALA  22  63.116  -7.143  -8.828
  173   1HB   ALA  22           HB1      ALA  22  63.555  -9.409  -7.953
  174   2HB   ALA  22           HB3      ALA  22  63.169  -8.858  -6.323
  175   3HB   ALA  22           HB2      ALA  22  61.912  -8.903  -7.559
  176    H    ALA  23           HN       ALA  23  62.848  -7.283  -5.268
  177    HA   ALA  23           HA       ALA  23  60.573  -5.798  -4.854
  178   1HB   ALA  23           HB1      ALA  23  63.009  -6.469  -3.420
  179   2HB   ALA  23           HB3      ALA  23  62.386  -4.902  -2.902
  180   3HB   ALA  23           HB2      ALA  23  61.362  -6.335  -2.806
  181    H    PHE  24           HN       PHE  24  63.846  -4.318  -4.982
  182    HA   PHE  24           HA       PHE  24  63.186  -1.628  -4.761
  183   1HB   PHE  24           HB2      PHE  24  65.451  -2.646  -4.958
  184   2HB   PHE  24           HB1      PHE  24  65.169  -2.885  -6.682
  185    HD1  PHE  24           HD2      PHE  24  64.482  -0.059  -4.308
  186    HD2  PHE  24           HD1      PHE  24  66.367  -1.345  -7.947
  187    HE1  PHE  24           HE2      PHE  24  65.206   2.271  -4.757
  188    HE2  PHE  24           HE1      PHE  24  67.089   0.981  -8.396
  189    HZ   PHE  24           HZ       PHE  24  66.510   2.792  -6.801
  190    H    ASP  25           HN       ASP  25  63.522  -3.306  -7.918
  191    HA   ASP  25           HA       ASP  25  62.555  -1.246  -9.568
  192   1HB   ASP  25           HB2      ASP  25  62.409  -4.264  -9.723
  193   2HB   ASP  25           HB1      ASP  25  61.950  -3.222 -11.070
  194    H    ILE  26           HN       ILE  26  60.738  -3.362  -7.436
  195    HA   ILE  26           HA       ILE  26  58.165  -2.987  -8.735
  196    HB   ILE  26           HB       ILE  26  59.002  -3.858  -5.957
  197   1HG1  ILE  26          HG12      ILE  26  58.394  -5.289  -8.553
  198   2HG1  ILE  26          HG11      ILE  26  59.859  -5.388  -7.576
  199   1HG2  ILE  26          HG21      ILE  26  56.329  -3.999  -7.384
  200   2HG2  ILE  26          HG23      ILE  26  56.708  -4.882  -5.904
  201   3HG2  ILE  26          HG22      ILE  26  56.689  -3.118  -5.898
  202   1HD1  ILE  26          HD13      ILE  26  57.911  -6.143  -5.784
  203   2HD1  ILE  26          HD12      ILE  26  57.321  -6.837  -7.293
  204   3HD1  ILE  26          HD11      ILE  26  58.928  -7.255  -6.697
  205    H    PHE  27           HN       PHE  27  60.073  -0.739  -7.243
  206    HA   PHE  27           HA       PHE  27  57.684   0.870  -6.436
  207   1HB   PHE  27           HB2      PHE  27  60.234   0.325  -4.893
  208   2HB   PHE  27           HB1      PHE  27  59.123   1.630  -4.474
  209    HD1  PHE  27           HD1      PHE  27  59.525  -2.036  -4.717
  210    HD2  PHE  27           HD2      PHE  27  56.950   1.180  -3.506
  211    HE1  PHE  27           HE1      PHE  27  58.086  -3.649  -3.500
  212    HE2  PHE  27           HE2      PHE  27  55.511  -0.432  -2.288
  213    HZ   PHE  27           HZ       PHE  27  56.079  -2.846  -2.285
  214    H    VAL  28           HN       VAL  28  59.519   0.881  -8.822
  215    HA   VAL  28           HA       VAL  28  60.983   3.450  -8.454
  216    HB   VAL  28           HB       VAL  28  60.878   1.423 -10.711
  217   1HG1  VAL  28          HG13      VAL  28  61.874   4.099 -10.618
  218   2HG1  VAL  28          HG12      VAL  28  63.259   3.008 -10.665
  219   3HG1  VAL  28          HG11      VAL  28  62.028   2.927 -11.926
  220   1HG2  VAL  28          HG23      VAL  28  61.849   0.582  -8.568
  221   2HG2  VAL  28          HG22      VAL  28  63.047   0.685  -9.856
  222   3HG2  VAL  28          HG21      VAL  28  62.999   1.918  -8.597
  223    H    LEU  29           HN       LEU  29  57.952   3.153  -8.709
  224    HA   LEU  29           HA       LEU  29  57.206   4.149 -11.332
  225   1HB   LEU  29           HB2      LEU  29  55.024   4.284 -10.330
  226   2HB   LEU  29           HB1      LEU  29  55.811   2.875  -9.616
  227    HG   LEU  29           HG       LEU  29  56.546   5.121  -8.039
  228   1HD1  LEU  29          HD11      LEU  29  54.422   6.058  -9.209
  229   2HD1  LEU  29          HD13      LEU  29  53.545   4.906  -8.202
  230   3HD1  LEU  29          HD12      LEU  29  54.520   6.169  -7.451
  231   1HD2  LEU  29          HD23      LEU  29  54.679   2.769  -7.633
  232   2HD2  LEU  29          HD22      LEU  29  56.370   2.894  -7.144
  233   3HD2  LEU  29          HD21      LEU  29  55.142   3.867  -6.333
  234    H    GLY  30           HN       GLY  30  58.918   5.618  -8.878
  235   1HA   GLY  30           HA2      GLY  30  57.644   8.270  -9.128
  236   2HA   GLY  30           HA1      GLY  30  59.018   7.876  -8.094
  237    H    ALA  31           HN       ALA  31  61.016   7.099  -9.519
  238    HA   ALA  31           HA       ALA  31  61.497   9.291 -11.464
  239   1HB   ALA  31           HB3      ALA  31  62.979   7.738  -9.509
  240   2HB   ALA  31           HB2      ALA  31  63.803   7.724 -11.069
  241   3HB   ALA  31           HB1      ALA  31  63.427   9.258 -10.284
  242    H    GLU  32           HN       GLU  32  63.467   8.112 -13.029
  243    HA   GLU  32           HA       GLU  32  62.032   5.865 -14.407
  244   1HB   GLU  32           HB2      GLU  32  63.400   8.322 -15.548
  245   2HB   GLU  32           HB1      GLU  32  62.764   6.997 -16.523
  246   1HG   GLU  32           HG2      GLU  32  60.530   7.406 -15.308
  247   2HG   GLU  32           HG1      GLU  32  61.236   8.935 -14.782
  248    H    ASP  33           HN       ASP  33  64.948   7.000 -13.035
  249    HA   ASP  33           HA       ASP  33  66.672   5.236 -14.690
  250   1HB   ASP  33           HB2      ASP  33  66.943   7.700 -13.407
  251   2HB   ASP  33           HB1      ASP  33  67.864   6.592 -12.390
  252    H    GLY  34           HN       GLY  34  64.701   3.902 -13.068
  253   1HA   GLY  34           HA2      GLY  34  64.609   2.061 -11.614
  254   2HA   GLY  34           HA1      GLY  34  66.372   2.030 -11.665
  255    H    CYS  35           HN       CYS  35  64.382   4.760 -10.615
  256    HA   CYS  35           HA       CYS  35  65.542   4.423  -7.866
  257   1HB   CYS  35           HB2      CYS  35  64.752   6.982  -9.293
  258   2HB   CYS  35           HB1      CYS  35  65.681   6.839  -7.800
  259    HG   CYS  35           HG       CYS  35  66.765   6.059 -10.626
  260    H    ILE  36           HN       ILE  36  64.104   4.732  -6.122
  261    HA   ILE  36           HA       ILE  36  61.208   4.929  -6.865
  262    HB   ILE  36           HB       ILE  36  60.841   3.601  -4.861
  263   1HG1  ILE  36          HG12      ILE  36  63.830   3.755  -4.379
  264   2HG1  ILE  36          HG11      ILE  36  62.662   4.788  -3.552
  265   1HG2  ILE  36          HG23      ILE  36  61.768   2.537  -7.018
  266   2HG2  ILE  36          HG22      ILE  36  63.304   2.430  -6.158
  267   3HG2  ILE  36          HG21      ILE  36  61.886   1.582  -5.539
  268   1HD1  ILE  36          HD11      ILE  36  62.455   1.770  -3.550
  269   2HD1  ILE  36          HD13      ILE  36  63.328   2.665  -2.305
  270   3HD1  ILE  36          HD12      ILE  36  61.595   2.912  -2.519
  271    H    SER  37           HN       SER  37  59.843   5.979  -5.106
  272    HA   SER  37           HA       SER  37  61.026   8.562  -4.355
  273   1HB   SER  37           HB2      SER  37  58.559   7.668  -5.130
  274   2HB   SER  37           HB1      SER  37  58.341   7.772  -3.385
  275    HG   SER  37           HG       SER  37  57.889   9.746  -4.532
  276    H    THR  38           HN       THR  38  61.515   9.208  -2.241
  277    HA   THR  38           HA       THR  38  62.316   7.348  -0.289
  278    HB   THR  38           HB       THR  38  61.856   9.499   1.209
  279    HG1  THR  38           HG1      THR  38  61.075  11.114   0.141
  280   1HG2  THR  38          HG21      THR  38  64.041   8.615   0.216
  281   2HG2  THR  38          HG23      THR  38  63.762   9.727  -1.124
  282   3HG2  THR  38          HG22      THR  38  63.968  10.352   0.512
  283    H    LYS  39           HN       LYS  39  59.112   8.487  -1.049
  284    HA   LYS  39           HA       LYS  39  57.931   7.739   1.531
  285   1HB   LYS  39           HB2      LYS  39  56.927   8.618  -1.183
  286   2HB   LYS  39           HB1      LYS  39  55.817   8.166   0.110
  287   1HG   LYS  39           HG2      LYS  39  58.012  10.149   0.645
  288   2HG   LYS  39           HG1      LYS  39  56.520  10.675  -0.135
  289   1HD   LYS  39           HD2      LYS  39  55.508   9.191   1.907
  290   2HD   LYS  39           HD1      LYS  39  56.984   9.799   2.656
  291   1HE   LYS  39           HE2      LYS  39  55.915  12.018   1.302
  292   2HE   LYS  39           HE1      LYS  39  54.524  11.233   2.075
  293   1HZ   LYS  39           HZ2      LYS  39  57.069  11.525   3.534
  294   2HZ   LYS  39           HZ1      LYS  39  55.976  12.825   3.474
  295   3HZ   LYS  39           HZ3      LYS  39  55.496  11.347   4.153
  296    H    GLU  40           HN       GLU  40  59.019   6.007  -1.152
  297    HA   GLU  40           HA       GLU  40  56.955   3.874  -0.906
  298   1HB   GLU  40           HB2      GLU  40  59.239   4.456  -2.811
  299   2HB   GLU  40           HB1      GLU  40  58.255   2.995  -2.913
  300   1HG   GLU  40           HG2      GLU  40  56.264   4.255  -3.337
  301   2HG   GLU  40           HG1      GLU  40  57.057   5.774  -2.917
  302    H    LEU  41           HN       LEU  41  60.394   4.506  -0.350
  303    HA   LEU  41           HA       LEU  41  61.420   1.940   0.079
  304   1HB   LEU  41           HB2      LEU  41  62.205   4.551   0.445
  305   2HB   LEU  41           HB1      LEU  41  62.150   3.959   2.105
  306    HG   LEU  41           HG       LEU  41  63.738   2.825  -0.208
  307   1HD1  LEU  41          HD12      LEU  41  64.468   3.915   2.527
  308   2HD1  LEU  41          HD11      LEU  41  65.613   3.170   1.412
  309   3HD1  LEU  41          HD13      LEU  41  64.805   4.674   0.969
  310   1HD2  LEU  41          HD21      LEU  41  62.961   1.623   2.447
  311   2HD2  LEU  41          HD23      LEU  41  62.946   0.874   0.851
  312   3HD2  LEU  41          HD22      LEU  41  64.479   1.175   1.668
  313    H    GLY  42           HN       GLY  42  59.089   3.699   2.000
  314   1HA   GLY  42           HA2      GLY  42  59.394   2.364   4.493
  315   2HA   GLY  42           HA1      GLY  42  57.886   3.076   3.916
  316    H    LYS  43           HN       LYS  43  56.763   1.701   2.156
  317    HA   LYS  43           HA       LYS  43  55.999  -0.807   3.177
  318   1HB   LYS  43           HB2      LYS  43  55.917   0.586   0.522
  319   2HB   LYS  43           HB1      LYS  43  55.402  -1.100   0.604
  320   1HG   LYS  43           HG2      LYS  43  53.532  -0.610   1.821
  321   2HG   LYS  43           HG1      LYS  43  54.336   0.671   2.729
  322   1HD   LYS  43           HD2      LYS  43  54.251   2.108   0.681
  323   2HD   LYS  43           HD1      LYS  43  53.313   0.846  -0.119
  324   1HE   LYS  43           HE2      LYS  43  51.505   1.075   1.477
  325   2HE   LYS  43           HE1      LYS  43  52.473   2.170   2.485
  326   1HZ   LYS  43           HZ2      LYS  43  52.254   2.861  -0.332
  327   2HZ   LYS  43           HZ1      LYS  43  50.835   3.043   0.584
  328   3HZ   LYS  43           HZ3      LYS  43  52.246   3.869   1.035
  329    H    VAL  44           HN       VAL  44  58.636   0.004   0.948
  330    HA   VAL  44           HA       VAL  44  59.294  -2.690   0.179
  331    HB   VAL  44           HB       VAL  44  60.692  -0.015   0.242
  332   1HG1  VAL  44          HG12      VAL  44  61.803  -2.710  -0.550
  333   2HG1  VAL  44          HG11      VAL  44  62.438  -1.207  -1.220
  334   3HG1  VAL  44          HG13      VAL  44  62.524  -1.504   0.516
  335   1HG2  VAL  44          HG21      VAL  44  59.188  -1.679  -1.691
  336   2HG2  VAL  44          HG23      VAL  44  59.347   0.075  -1.603
  337   3HG2  VAL  44          HG22      VAL  44  60.626  -0.891  -2.338
  338    H    MET  45           HN       MET  45  60.207  -0.643   2.918
  339    HA   MET  45           HA       MET  45  62.384  -2.281   3.870
  340   1HB   MET  45           HB2      MET  45  60.618  -0.081   4.872
  341   2HB   MET  45           HB1      MET  45  61.579  -0.971   6.054
  342   1HG   MET  45           HG2      MET  45  63.315  -0.454   3.891
  343   2HG   MET  45           HG1      MET  45  62.438   1.050   4.173
  344   1HE   MET  45           HE2      MET  45  65.028  -1.303   5.011
  345   2HE   MET  45           HE1      MET  45  65.753   0.283   4.757
  346   3HE   MET  45           HE3      MET  45  65.936  -0.539   6.313
  347    H    ARG  46           HN       ARG  46  58.892  -2.195   4.559
  348    HA   ARG  46           HA       ARG  46  59.056  -4.286   6.603
  349   1HB   ARG  46           HB2      ARG  46  56.614  -4.018   6.586
  350   2HB   ARG  46           HB1      ARG  46  57.387  -2.432   6.559
  351   1HG   ARG  46           HG2      ARG  46  56.909  -2.100   4.276
  352   2HG   ARG  46           HG1      ARG  46  56.626  -3.818   3.993
  353   1HD   ARG  46           HD2      ARG  46  54.643  -3.574   5.644
  354   2HD   ARG  46           HD1      ARG  46  54.823  -1.828   5.380
  355    HE   ARG  46           HE       ARG  46  54.893  -2.979   2.826
  356   1HH1  ARG  46          HH11      ARG  46  52.745  -1.798   5.140
  357   2HH1  ARG  46          HH12      ARG  46  51.314  -2.373   4.351
  358   1HH2  ARG  46          HH21      ARG  46  53.043  -4.179   1.950
  359   2HH2  ARG  46          HH22      ARG  46  51.482  -3.722   2.545
  360    H    MET  47           HN       MET  47  58.794  -4.177   3.153
  361    HA   MET  47           HA       MET  47  57.404  -6.675   2.728
  362   1HB   MET  47           HB2      MET  47  58.883  -4.619   1.223
  363   2HB   MET  47           HB1      MET  47  59.003  -6.234   0.522
  364   1HG   MET  47           HG2      MET  47  56.298  -5.420   1.429
  365   2HG   MET  47           HG1      MET  47  56.930  -4.557   0.027
  366   1HE   MET  47           HE1      MET  47  58.322  -5.774  -1.712
  367   2HE   MET  47           HE3      MET  47  57.570  -7.085  -2.631
  368   3HE   MET  47           HE2      MET  47  56.724  -5.554  -2.423
  369    H    LEU  48           HN       LEU  48  60.751  -5.824   3.399
  370    HA   LEU  48           HA       LEU  48  61.679  -8.575   2.756
  371   1HB   LEU  48           HB2      LEU  48  62.864  -5.877   3.263
  372   2HB   LEU  48           HB1      LEU  48  63.867  -7.285   3.610
  373    HG   LEU  48           HG       LEU  48  62.507  -7.634   1.083
  374   1HD1  LEU  48          HD13      LEU  48  62.700  -5.043   1.322
  375   2HD1  LEU  48          HD12      LEU  48  64.425  -5.312   1.073
  376   3HD1  LEU  48          HD11      LEU  48  63.268  -5.796  -0.168
  377   1HD2  LEU  48          HD21      LEU  48  65.290  -7.633   2.186
  378   2HD2  LEU  48          HD23      LEU  48  64.422  -8.914   1.341
  379   3HD2  LEU  48          HD22      LEU  48  65.091  -7.556   0.436
  380    H    GLY  49           HN       GLY  49  60.424  -6.873   5.399
  381   1HA   GLY  49           HA2      GLY  49  60.069  -8.335   7.430
  382   2HA   GLY  49           HA1      GLY  49  61.785  -8.731   7.310
  383    H    GLN  50           HN       GLN  50  62.992  -6.333   6.907
  384    HA   GLN  50           HA       GLN  50  63.319  -5.153   9.392
  385   1HB   GLN  50           HB2      GLN  50  63.876  -4.571   6.612
  386   2HB   GLN  50           HB1      GLN  50  63.512  -3.077   7.478
  387   1HG   GLN  50           HG2      GLN  50  65.952  -3.766   7.526
  388   2HG   GLN  50           HG1      GLN  50  65.223  -3.510   9.111
  389   1HE2  GLN  50          HE22      GLN  50  66.082  -7.361   7.937
  390   2HE2  GLN  50          HE21      GLN  50  65.852  -6.167   6.753
  391    H    ASN  51           HN       ASN  51  62.355  -3.374  10.493
  392    HA   ASN  51           HA       ASN  51  59.929  -2.125   9.312
  393   1HB   ASN  51           HB2      ASN  51  58.621  -2.789  11.324
  394   2HB   ASN  51           HB1      ASN  51  59.190  -4.195  10.425
  395   1HD2  ASN  51          HD22      ASN  51  60.272  -5.269  13.665
  396   2HD2  ASN  51          HD21      ASN  51  59.032  -5.424  12.514
  397    HA   PRO  52           HA       PRO  52  62.621   0.436  12.218
  398   1HB   PRO  52           HB2      PRO  52  63.707   2.108  10.344
  399   2HB   PRO  52           HB1      PRO  52  64.467   0.580  10.831
  400   1HG   PRO  52           HG2      PRO  52  62.854   1.203   8.412
  401   2HG   PRO  52           HG1      PRO  52  64.280   0.169   8.583
  402   1HD   PRO  52           HD2      PRO  52  61.723  -0.785   8.417
  403   2HD   PRO  52           HD1      PRO  52  63.048  -1.643   9.232
  404    H    THR  53           HN       THR  53  62.668   3.128  11.826
  405    HA   THR  53           HA       THR  53  59.786   3.819  11.370
  406    HB   THR  53           HB       THR  53  60.906   5.854  12.840
  407    HG1  THR  53           HG1      THR  53  62.163   4.683  14.419
  408   1HG2  THR  53          HG22      THR  53  59.564   3.274  13.627
  409   2HG2  THR  53          HG21      THR  53  60.001   4.479  14.838
  410   3HG2  THR  53          HG23      THR  53  58.872   4.894  13.547
  411    HA   PRO  54           HA       PRO  54  60.926   6.679   8.241
  412   1HB   PRO  54           HB2      PRO  54  59.334   8.838   8.781
  413   2HB   PRO  54           HB1      PRO  54  58.703   7.314   8.124
  414   1HG   PRO  54           HG2      PRO  54  58.646   8.338  10.916
  415   2HG   PRO  54           HG1      PRO  54  57.417   7.434  10.019
  416   1HD   PRO  54           HD2      PRO  54  59.075   6.306  11.873
  417   2HD   PRO  54           HD1      PRO  54  58.356   5.410  10.518
  418    H    GLU  55           HN       GLU  55  60.806   8.104  11.506
  419    HA   GLU  55           HA       GLU  55  62.293  10.460  11.093
  420   1HB   GLU  55           HB2      GLU  55  61.256   8.947  13.205
  421   2HB   GLU  55           HB1      GLU  55  62.984   9.039  13.548
  422   1HG   GLU  55           HG2      GLU  55  62.044  10.978  14.564
  423   2HG   GLU  55           HG1      GLU  55  62.790  11.551  13.072
  424    H    GLU  56           HN       GLU  56  63.472   7.143  11.684
  425    HA   GLU  56           HA       GLU  56  66.277   7.886  11.705
  426   1HB   GLU  56           HB2      GLU  56  64.589   5.594  12.099
  427   2HB   GLU  56           HB1      GLU  56  65.884   5.157  10.983
  428   1HG   GLU  56           HG2      GLU  56  66.773   6.785  13.271
  429   2HG   GLU  56           HG1      GLU  56  66.137   5.201  13.718
  430    H    LEU  57           HN       LEU  57  64.034   6.651   9.233
  431    HA   LEU  57           HA       LEU  57  65.912   6.132   7.163
  432   1HB   LEU  57           HB2      LEU  57  63.014   6.707   7.468
  433   2HB   LEU  57           HB1      LEU  57  63.676   6.955   5.851
  434    HG   LEU  57           HG       LEU  57  64.545   4.468   7.197
  435   1HD1  LEU  57          HD12      LEU  57  61.926   5.015   7.579
  436   2HD1  LEU  57          HD11      LEU  57  61.844   4.312   5.963
  437   3HD1  LEU  57          HD13      LEU  57  62.527   3.381   7.297
  438   1HD2  LEU  57          HD23      LEU  57  64.907   5.348   4.756
  439   2HD2  LEU  57          HD22      LEU  57  64.536   3.641   5.002
  440   3HD2  LEU  57          HD21      LEU  57  63.268   4.754   4.486
  441    H    GLN  58           HN       GLN  58  64.187   9.138   8.026
  442    HA   GLN  58           HA       GLN  58  64.990  10.800   5.903
  443   1HB   GLN  58           HB2      GLN  58  63.546  11.075   8.146
  444   2HB   GLN  58           HB1      GLN  58  65.031  11.847   8.702
  445   1HG   GLN  58           HG2      GLN  58  63.573  13.537   7.717
  446   2HG   GLN  58           HG1      GLN  58  64.982  13.312   6.680
  447   1HE2  GLN  58          HE22      GLN  58  62.836  12.752   3.949
  448   2HE2  GLN  58          HE21      GLN  58  64.184  13.572   4.573
  449    H    GLU  59           HN       GLU  59  66.710  10.230   9.000
  450    HA   GLU  59           HA       GLU  59  68.937  11.858   8.715
  451   1HB   GLU  59           HB2      GLU  59  68.601  10.491  10.660
  452   2HB   GLU  59           HB1      GLU  59  68.634   9.009   9.701
  453   1HG   GLU  59           HG2      GLU  59  70.927   9.014   9.516
  454   2HG   GLU  59           HG1      GLU  59  71.031  10.774   9.547
  455    H    MET  60           HN       MET  60  68.488   8.623   7.255
  456    HA   MET  60           HA       MET  60  71.036   8.496   5.947
  457   1HB   MET  60           HB2      MET  60  68.318   7.239   5.520
  458   2HB   MET  60           HB1      MET  60  69.701   6.818   4.509
  459   1HG   MET  60           HG2      MET  60  70.891   6.526   6.873
  460   2HG   MET  60           HG1      MET  60  69.232   6.258   7.409
  461   1HE   MET  60           HE1      MET  60  67.798   4.868   6.883
  462   2HE   MET  60           HE3      MET  60  67.772   3.594   5.656
  463   3HE   MET  60           HE2      MET  60  68.443   3.271   7.253
  464    H    ILE  61           HN       ILE  61  67.867   8.950   4.344
  465    HA   ILE  61           HA       ILE  61  68.686   9.825   1.853
  466    HB   ILE  61           HB       ILE  61  66.412  10.641   3.669
  467   1HG1  ILE  61          HG12      ILE  61  65.663   9.324   1.239
  468   2HG1  ILE  61          HG11      ILE  61  66.996   8.425   1.965
  469   1HG2  ILE  61          HG21      ILE  61  66.898  11.447   0.787
  470   2HG2  ILE  61          HG23      ILE  61  65.341  11.593   1.603
  471   3HG2  ILE  61          HG22      ILE  61  66.728  12.524   2.172
  472   1HD1  ILE  61          HD11      ILE  61  65.029   9.301   3.945
  473   2HD1  ILE  61          HD13      ILE  61  64.328   8.249   2.716
  474   3HD1  ILE  61          HD12      ILE  61  65.704   7.695   3.669
  475    H    ASP  62           HN       ASP  62  68.483  11.801   4.818
  476    HA   ASP  62           HA       ASP  62  69.183  14.297   3.527
  477   1HB   ASP  62           HB2      ASP  62  68.699  13.191   6.211
  478   2HB   ASP  62           HB1      ASP  62  69.872  14.509   6.194
  479    H    GLU  63           HN       GLU  63  71.031  11.583   4.723
  480    HA   GLU  63           HA       GLU  63  73.561  13.166   4.557
  481   1HB   GLU  63           HB2      GLU  63  72.701  10.573   5.846
  482   2HB   GLU  63           HB1      GLU  63  74.408  10.986   5.675
  483   1HG   GLU  63           HG2      GLU  63  73.306  13.322   6.676
  484   2HG   GLU  63           HG1      GLU  63  72.409  12.063   7.529
  485    H    VAL  64           HN       VAL  64  71.925  10.292   3.261
  486    HA   VAL  64           HA       VAL  64  74.216   9.590   1.546
  487    HB   VAL  64           HB       VAL  64  72.552   8.027   2.720
  488   1HG1  VAL  64          HG13      VAL  64  70.524   9.307   2.063
  489   2HG1  VAL  64          HG12      VAL  64  70.823   8.882   0.378
  490   3HG1  VAL  64          HG11      VAL  64  70.437   7.622   1.551
  491   1HG2  VAL  64          HG21      VAL  64  74.118   7.374   0.853
  492   2HG2  VAL  64          HG23      VAL  64  72.645   6.408   0.922
  493   3HG2  VAL  64          HG22      VAL  64  72.805   7.687  -0.282
  494    H    ASP  65           HN       ASP  65  70.916  10.886   1.134
  495    HA   ASP  65           HA       ASP  65  71.405  11.325  -1.758
  496   1HB   ASP  65           HB2      ASP  65  69.191  10.859   0.010
  497   2HB   ASP  65           HB1      ASP  65  68.919  12.381  -0.841
  498    H    GLU  66           HN       GLU  66  73.131  12.982  -1.276
  499    HA   GLU  66           HA       GLU  66  72.493  15.453   0.084
  500   1HB   GLU  66           HB2      GLU  66  74.659  14.218  -1.481
  501   2HB   GLU  66           HB1      GLU  66  74.566  15.969  -1.670
  502   1HG   GLU  66           HG2      GLU  66  74.282  14.945   1.102
  503   2HG   GLU  66           HG1      GLU  66  75.881  14.782   0.375
  504    H    ASP  67           HN       ASP  67  72.050  14.279  -3.196
  505    HA   ASP  67           HA       ASP  67  71.759  16.769  -4.564
  506   1HB   ASP  67           HB2      ASP  67  71.690  14.079  -5.142
  507   2HB   ASP  67           HB1      ASP  67  70.003  14.540  -5.375
  508    H    GLY  68           HN       GLY  68  69.736  15.201  -2.237
  509   1HA   GLY  68           HA2      GLY  68  67.665  15.827  -1.327
  510   2HA   GLY  68           HA1      GLY  68  67.912  17.402  -2.083
  511    H    SER  69           HN       SER  69  67.492  14.122  -3.450
  512    HA   SER  69           HA       SER  69  65.452  15.262  -5.309
  513   1HB   SER  69           HB2      SER  69  66.005  12.748  -6.190
  514   2HB   SER  69           HB1      SER  69  66.959  14.160  -6.637
  515    HG   SER  69           HG       SER  69  67.765  12.026  -5.346
  516    H    GLY  70           HN       GLY  70  65.556  13.659  -2.386
  517   1HA   GLY  70           HA2      GLY  70  64.008  12.344  -1.208
  518   2HA   GLY  70           HA1      GLY  70  62.799  13.087  -2.256
  519    H    THR  71           HN       THR  71  65.438  11.163  -3.535
  520    HA   THR  71           HA       THR  71  63.639   8.819  -3.900
  521    HB   THR  71           HB       THR  71  64.322   8.941  -6.388
  522    HG1  THR  71           HG1      THR  71  64.587  11.379  -6.792
  523   1HG2  THR  71          HG22      THR  71  62.513  11.012  -5.118
  524   2HG2  THR  71          HG21      THR  71  62.553  10.680  -6.850
  525   3HG2  THR  71          HG23      THR  71  62.052   9.421  -5.722
  526    H    VAL  72           HN       VAL  72  64.814   6.921  -3.822
  527    HA   VAL  72           HA       VAL  72  67.790   7.164  -3.689
  528    HB   VAL  72           HB       VAL  72  67.393   4.746  -2.717
  529   1HG1  VAL  72          HG11      VAL  72  66.887   7.410  -1.448
  530   2HG1  VAL  72          HG13      VAL  72  66.693   5.940  -0.492
  531   3HG1  VAL  72          HG12      VAL  72  68.251   6.307  -1.236
  532   1HG2  VAL  72          HG23      VAL  72  64.870   5.046  -3.450
  533   2HG2  VAL  72          HG22      VAL  72  65.263   4.229  -1.938
  534   3HG2  VAL  72          HG21      VAL  72  64.747   5.915  -1.921
  535    H    ASP  73           HN       ASP  73  69.061   5.458  -4.690
  536    HA   ASP  73           HA       ASP  73  67.759   4.330  -7.141
  537   1HB   ASP  73           HB2      ASP  73  70.685   4.899  -6.555
  538   2HB   ASP  73           HB1      ASP  73  69.979   4.509  -8.124
  539    H    PHE  74           HN       PHE  74  69.284   2.283  -7.823
  540    HA   PHE  74           HA       PHE  74  68.835   0.276  -5.803
  541   1HB   PHE  74           HB2      PHE  74  68.901   0.057  -8.343
  542   2HB   PHE  74           HB1      PHE  74  70.658   0.144  -8.222
  543    HD1  PHE  74           HD2      PHE  74  68.194  -1.482  -5.938
  544    HD2  PHE  74           HD1      PHE  74  71.419  -2.030  -8.716
  545    HE1  PHE  74           HE2      PHE  74  68.271  -3.895  -5.368
  546    HE2  PHE  74           HE1      PHE  74  71.500  -4.444  -8.148
  547    HZ   PHE  74           HZ       PHE  74  69.926  -5.376  -6.473
  548    H    ASP  75           HN       ASP  75  71.337   2.548  -6.246
  549    HA   ASP  75           HA       ASP  75  73.453   0.919  -4.994
  550   1HB   ASP  75           HB2      ASP  75  74.688   3.126  -5.219
  551   2HB   ASP  75           HB1      ASP  75  74.057   2.480  -6.734
  552    H    GLU  76           HN       GLU  76  71.226   3.542  -4.091
  553    HA   GLU  76           HA       GLU  76  72.435   3.845  -1.424
  554   1HB   GLU  76           HB2      GLU  76  70.164   5.018  -3.009
  555   2HB   GLU  76           HB1      GLU  76  70.233   5.293  -1.268
  556   1HG   GLU  76           HG2      GLU  76  72.566   6.139  -1.539
  557   2HG   GLU  76           HG1      GLU  76  72.391   5.969  -3.284
  558    H    PHE  77           HN       PHE  77  69.227   2.846  -2.664
  559    HA   PHE  77           HA       PHE  77  67.983   2.010  -0.334
  560   1HB   PHE  77           HB2      PHE  77  66.927   1.958  -2.513
  561   2HB   PHE  77           HB1      PHE  77  68.061   0.732  -3.083
  562    HD1  PHE  77           HD2      PHE  77  65.976   1.158   0.013
  563    HD2  PHE  77           HD1      PHE  77  67.056  -1.357  -3.299
  564    HE1  PHE  77           HE2      PHE  77  64.489  -0.626   0.882
  565    HE2  PHE  77           HE1      PHE  77  65.569  -3.140  -2.429
  566    HZ   PHE  77           HZ       PHE  77  64.285  -2.776  -0.339
  567    H    LEU  78           HN       LEU  78  70.163  -0.038  -2.326
  568    HA   LEU  78           HA       LEU  78  70.096  -2.323  -0.632
  569   1HB   LEU  78           HB2      LEU  78  71.055  -2.818  -2.650
  570   2HB   LEU  78           HB1      LEU  78  71.697  -1.190  -2.848
  571    HG   LEU  78           HG       LEU  78  73.490  -1.725  -1.216
  572   1HD1  LEU  78          HD12      LEU  78  72.034  -3.564  -0.130
  573   2HD1  LEU  78          HD11      LEU  78  72.605  -4.604  -1.437
  574   3HD1  LEU  78          HD13      LEU  78  73.758  -3.896  -0.304
  575   1HD2  LEU  78          HD21      LEU  78  73.294  -2.485  -3.871
  576   2HD2  LEU  78          HD23      LEU  78  74.777  -2.504  -2.917
  577   3HD2  LEU  78          HD22      LEU  78  73.815  -3.973  -3.080
  578    H    VAL  79           HN       VAL  79  72.366   0.444  -0.702
  579    HA   VAL  79           HA       VAL  79  73.981  -0.473   1.504
  580    HB   VAL  79           HB       VAL  79  73.464   2.265   0.299
  581   1HG1  VAL  79          HG13      VAL  79  75.541   1.267   2.260
  582   2HG1  VAL  79          HG12      VAL  79  75.774   2.726   1.298
  583   3HG1  VAL  79          HG11      VAL  79  74.441   2.631   2.449
  584   1HG2  VAL  79          HG23      VAL  79  74.572   0.082  -0.904
  585   2HG2  VAL  79          HG22      VAL  79  75.028   1.743  -1.284
  586   3HG2  VAL  79          HG21      VAL  79  75.999   0.799  -0.156
  587    H    MET  80           HN       MET  80  71.389   2.001   1.308
  588    HA   MET  80           HA       MET  80  71.273   2.843   3.961
  589   1HB   MET  80           HB2      MET  80  69.436   2.535   1.671
  590   2HB   MET  80           HB1      MET  80  68.628   2.635   3.237
  591   1HG   MET  80           HG2      MET  80  70.540   4.605   3.447
  592   2HG   MET  80           HG1      MET  80  70.084   4.710   1.746
  593   1HE   MET  80           HE3      MET  80  67.987   5.084   0.809
  594   2HE   MET  80           HE2      MET  80  66.804   6.176   1.524
  595   3HE   MET  80           HE1      MET  80  68.474   6.704   1.324
  596    H    MET  81           HN       MET  81  69.968  -0.161   2.574
  597    HA   MET  81           HA       MET  81  68.653  -1.029   5.014
  598   1HB   MET  81           HB2      MET  81  69.117  -1.905   2.268
  599   2HB   MET  81           HB1      MET  81  69.199  -3.249   3.405
  600   1HG   MET  81           HG2      MET  81  66.945  -1.231   3.414
  601   2HG   MET  81           HG1      MET  81  66.877  -2.736   2.499
  602   1HE   MET  81           HE1      MET  81  66.155  -4.469   2.979
  603   2HE   MET  81           HE3      MET  81  66.303  -5.443   4.448
  604   3HE   MET  81           HE2      MET  81  64.892  -4.417   4.205
  605    H    VAL  82           HN       VAL  82  71.682  -2.048   3.375
  606    HA   VAL  82           HA       VAL  82  72.556  -3.927   5.294
  607    HB   VAL  82           HB       VAL  82  73.431  -3.134   2.931
  608   1HG1  VAL  82          HG13      VAL  82  74.154  -0.910   4.368
  609   2HG1  VAL  82          HG12      VAL  82  75.652  -1.840   4.376
  610   3HG1  VAL  82          HG11      VAL  82  74.895  -1.399   2.845
  611   1HG2  VAL  82          HG22      VAL  82  74.330  -4.896   4.786
  612   2HG2  VAL  82          HG21      VAL  82  75.144  -4.617   3.246
  613   3HG2  VAL  82          HG23      VAL  82  75.715  -3.806   4.704
  614    H    ARG  83           HN       ARG  83  72.359  -0.475   5.512
  615    HA   ARG  83           HA       ARG  83  74.361  -0.148   7.616
  616   1HB   ARG  83           HB2      ARG  83  72.185   1.510   6.337
  617   2HB   ARG  83           HB1      ARG  83  73.073   2.115   7.737
  618   1HG   ARG  83           HG2      ARG  83  75.206   1.516   6.413
  619   2HG   ARG  83           HG1      ARG  83  74.145   1.405   5.007
  620   1HD   ARG  83           HD2      ARG  83  74.764   3.657   4.899
  621   2HD   ARG  83           HD1      ARG  83  73.303   3.780   5.899
  622    HE   ARG  83           HE       ARG  83  75.789   3.266   7.389
  623   1HH1  ARG  83          HH11      ARG  83  74.539   5.863   5.661
  624   2HH1  ARG  83          HH12      ARG  83  74.505   6.963   6.999
  625   1HH2  ARG  83          HH21      ARG  83  75.312   4.544   9.350
  626   2HH2  ARG  83          HH22      ARG  83  74.945   6.217   9.087
  627    H    CYS  84           HN       CYS  84  70.823  -0.500   7.465
  628    HA   CYS  84           HA       CYS  84  70.173   0.072  10.161
  629   1HB   CYS  84           HB2      CYS  84  68.843  -0.627   7.925
  630   2HB   CYS  84           HB1      CYS  84  68.819  -2.183   8.755
  631    HG   CYS  84           HG       CYS  84  67.968   0.035  10.635
  632    H    MET  85           HN       MET  85  71.529  -2.852   8.697
  633    HA   MET  85           HA       MET  85  71.121  -4.782  10.672
  634   1HB   MET  85           HB2      MET  85  73.660  -4.168   9.121
  635   2HB   MET  85           HB1      MET  85  73.237  -5.730   9.824
  636   1HG   MET  85           HG2      MET  85  71.118  -4.625   8.124
  637   2HG   MET  85           HG1      MET  85  72.622  -4.921   7.252
  638   1HE   MET  85           HE3      MET  85  70.779  -6.224   6.024
  639   2HE   MET  85           HE2      MET  85  72.245  -7.174   5.797
  640   3HE   MET  85           HE1      MET  85  70.729  -7.986   6.180
  641    H    LYS  86           HN       LYS  86  73.416  -2.076  10.693
  642    HA   LYS  86           HA       LYS  86  74.578  -2.932  13.274
  643   1HB   LYS  86           HB2      LYS  86  76.002  -1.987  11.534
  644   2HB   LYS  86           HB1      LYS  86  74.984  -0.550  11.435
  645   1HG   LYS  86           HG2      LYS  86  77.051  -0.178  12.792
  646   2HG   LYS  86           HG1      LYS  86  75.570   0.077  13.716
  647   1HD   LYS  86           HD2      LYS  86  75.758  -2.072  14.774
  648   2HD   LYS  86           HD1      LYS  86  77.064  -2.555  13.690
  649   1HE   LYS  86           HE2      LYS  86  78.463  -0.685  14.631
  650   2HE   LYS  86           HE1      LYS  86  77.178  -0.393  15.820
  651   1HZ   LYS  86           HZ3      LYS  86  77.334  -2.929  16.178
  652   2HZ   LYS  86           HZ2      LYS  86  78.874  -2.781  15.476
  653   3HZ   LYS  86           HZ1      LYS  86  78.500  -1.932  16.901
  654    H    ASP  87           HN       ASP  87  72.393  -0.445  11.995
  655    HA   ASP  87           HA       ASP  87  70.912   1.011  13.124
  656   1HB   ASP  87           HB2      ASP  87  70.558  -1.344  14.192
  657   2HB   ASP  87           HB1      ASP  87  71.444  -0.680  15.565
  658    H    ASP  88           HN       ASP  88  71.616   3.036  13.664
  659    HA   ASP  88           HA       ASP  88  73.833   3.280  15.670
  660   1HB   ASP  88           HB2      ASP  88  73.849   4.032  13.089
  661   2HB   ASP  88           HB1      ASP  88  73.110   5.476  13.784
  662    H    SER  89           HN       SER  89  72.078   3.215  17.358
  663    HA   SER  89           HA       SER  89  70.783   4.397  18.949
  664   1HB   SER  89           HB2      SER  89  72.661   6.086  18.177
  665   2HB   SER  89           HB1      SER  89  71.322   6.900  17.374
  666    HG   SER  89           HG       SER  89  71.666   7.640  19.528
   
  No H/Q in entry =         666
  Start of MODEL   20
    1   1H    MET   1           HT2      MET   1  89.876   8.927   2.421
    2   2H    MET   1           HT1      MET   1  89.083   8.748   3.914
    3   3H    MET   1           HT3      MET   1  90.777   8.805   3.856
    4    HA   MET   1           HA       MET   1  90.978   6.670   3.026
    5   1HB   MET   1           HB2      MET   1  88.639   7.049   4.890
    6   2HB   MET   1           HB1      MET   1  89.135   5.427   4.405
    7   1HG   MET   1           HG2      MET   1  91.527   6.215   5.086
    8   2HG   MET   1           HG1      MET   1  90.678   7.478   5.978
    9   1HE   MET   1           HE1      MET   1  91.039   3.922   5.109
   10   2HE   MET   1           HE3      MET   1  90.555   2.962   6.514
   11   3HE   MET   1           HE2      MET   1  89.333   3.636   5.439
   12    H    ASP   2           HN       ASP   2  90.182   4.981   1.655
   13    HA   ASP   2           HA       ASP   2  88.561   5.697  -0.543
   14   1HB   ASP   2           HB2      ASP   2  89.363   3.084   0.745
   15   2HB   ASP   2           HB1      ASP   2  88.415   3.120  -0.742
   16    H    ASP   3           HN       ASP   3  86.605   3.757  -0.857
   17    HA   ASP   3           HA       ASP   3  84.478   4.780   0.914
   18   1HB   ASP   3           HB2      ASP   3  84.780   3.802  -1.748
   19   2HB   ASP   3           HB1      ASP   3  83.637   2.741  -0.925
   20    H    ILE   4           HN       ILE   4  83.144   3.381   2.209
   21    HA   ILE   4           HA       ILE   4  84.429   0.758   2.898
   22    HB   ILE   4           HB       ILE   4  83.679   1.192   5.158
   23   1HG1  ILE   4          HG12      ILE   4  82.301   3.657   4.045
   24   2HG1  ILE   4          HG11      ILE   4  81.470   2.161   4.475
   25   1HG2  ILE   4          HG22      ILE   4  85.700   2.457   4.235
   26   2HG2  ILE   4          HG21      ILE   4  84.636   3.857   4.091
   27   3HG2  ILE   4          HG23      ILE   4  84.952   3.149   5.675
   28   1HD1  ILE   4          HD13      ILE   4  83.133   2.873   6.676
   29   2HD1  ILE   4          HD12      ILE   4  82.245   4.318   6.196
   30   3HD1  ILE   4          HD11      ILE   4  81.371   2.844   6.614
   31    H    TYR   5           HN       TYR   5  81.428   2.438   2.144
   32    HA   TYR   5           HA       TYR   5  79.648   0.241   2.802
   33   1HB   TYR   5           HB2      TYR   5  79.320   2.607   0.926
   34   2HB   TYR   5           HB1      TYR   5  78.015   1.660   1.642
   35    HD1  TYR   5           HD1      TYR   5  77.555   1.772   4.069
   36    HD2  TYR   5           HD2      TYR   5  80.559   4.229   2.229
   37    HE1  TYR   5           HE1      TYR   5  77.613   3.210   6.089
   38    HE2  TYR   5           HE2      TYR   5  80.619   5.667   4.248
   39    HH   TYR   5           HH       TYR   5  78.489   5.009   7.036
   40    H    LYS   6           HN       LYS   6  81.784   0.866   0.172
   41    HA   LYS   6           HA       LYS   6  80.387  -0.409  -1.980
   42   1HB   LYS   6           HB2      LYS   6  82.670  -0.550  -2.938
   43   2HB   LYS   6           HB1      LYS   6  82.388   1.026  -2.195
   44   1HG   LYS   6           HG2      LYS   6  84.397   0.572  -1.189
   45   2HG   LYS   6           HG1      LYS   6  83.361  -0.296  -0.055
   46   1HD   LYS   6           HD2      LYS   6  85.085  -1.835  -0.655
   47   2HD   LYS   6           HD1      LYS   6  83.659  -2.339  -1.564
   48   1HE   LYS   6           HE2      LYS   6  84.486  -1.404  -3.593
   49   2HE   LYS   6           HE1      LYS   6  85.726  -0.461  -2.741
   50   1HZ   LYS   6           HZ3      LYS   6  86.366  -2.824  -1.845
   51   2HZ   LYS   6           HZ2      LYS   6  85.632  -3.342  -3.287
   52   3HZ   LYS   6           HZ1      LYS   6  86.955  -2.277  -3.338
   53    H    ALA   7           HN       ALA   7  82.330  -1.674   0.687
   54    HA   ALA   7           HA       ALA   7  82.538  -4.376  -0.384
   55   1HB   ALA   7           HB3      ALA   7  83.822  -2.909   1.499
   56   2HB   ALA   7           HB2      ALA   7  82.730  -3.831   2.534
   57   3HB   ALA   7           HB1      ALA   7  83.861  -4.672   1.473
   58    H    ALA   8           HN       ALA   8  80.209  -2.613   1.561
   59    HA   ALA   8           HA       ALA   8  78.843  -4.681   2.894
   60   1HB   ALA   8           HB1      ALA   8  78.492  -1.946   2.178
   61   2HB   ALA   8           HB3      ALA   8  76.995  -2.786   1.770
   62   3HB   ALA   8           HB2      ALA   8  77.624  -2.852   3.417
   63    H    VAL   9           HN       VAL   9  78.549  -3.613  -0.492
   64    HA   VAL   9           HA       VAL   9  76.386  -5.481  -1.101
   65    HB   VAL   9           HB       VAL   9  78.266  -3.979  -2.947
   66   1HG1  VAL   9          HG11      VAL   9  76.322  -5.809  -3.550
   67   2HG1  VAL   9          HG13      VAL   9  75.399  -4.306  -3.577
   68   3HG1  VAL   9          HG12      VAL   9  76.808  -4.494  -4.620
   69   1HG2  VAL   9          HG22      VAL   9  76.351  -2.993  -1.011
   70   2HG2  VAL   9          HG21      VAL   9  77.420  -2.079  -2.075
   71   3HG2  VAL   9          HG23      VAL   9  75.830  -2.586  -2.646
   72    H    GLU  10           HN       GLU  10  79.883  -5.314  -1.865
   73    HA   GLU  10           HA       GLU  10  80.161  -7.630  -3.420
   74   1HB   GLU  10           HB2      GLU  10  81.893  -6.288  -1.334
   75   2HB   GLU  10           HB1      GLU  10  82.479  -7.659  -2.277
   76   1HG   GLU  10           HG2      GLU  10  81.637  -6.272  -4.333
   77   2HG   GLU  10           HG1      GLU  10  81.723  -4.906  -3.220
   78    H    GLN  11           HN       GLN  11  80.162  -7.370   0.147
   79    HA   GLN  11           HA       GLN  11  80.657 -10.107   0.745
   80   1HB   GLN  11           HB2      GLN  11  79.521  -7.695   2.044
   81   2HB   GLN  11           HB1      GLN  11  79.060  -9.232   2.777
   82   1HG   GLN  11           HG2      GLN  11  81.147  -9.603   3.581
   83   2HG   GLN  11           HG1      GLN  11  81.911  -9.078   2.079
   84   1HE2  GLN  11          HE22      GLN  11  81.160  -6.289   5.008
   85   2HE2  GLN  11          HE21      GLN  11  80.284  -7.743   5.002
   86    H    LEU  12           HN       LEU  12  77.592  -8.375   0.154
   87    HA   LEU  12           HA       LEU  12  75.766 -10.449   0.753
   88   1HB   LEU  12           HB2      LEU  12  75.710  -8.304  -1.398
   89   2HB   LEU  12           HB1      LEU  12  74.296  -9.181  -0.811
   90    HG   LEU  12           HG       LEU  12  76.113  -7.639   1.048
   91   1HD1  LEU  12          HD13      LEU  12  74.705  -6.435  -0.969
   92   2HD1  LEU  12          HD12      LEU  12  73.507  -6.456   0.324
   93   3HD1  LEU  12          HD11      LEU  12  75.066  -5.672   0.579
   94   1HD2  LEU  12          HD22      LEU  12  73.951  -9.418   1.412
   95   2HD2  LEU  12          HD21      LEU  12  74.700  -8.392   2.636
   96   3HD2  LEU  12          HD23      LEU  12  73.305  -7.808   1.729
   97    H    THR  13           HN       THR  13  74.772 -12.050  -0.617
   98    HA   THR  13           HA       THR  13  76.538 -12.988  -2.830
   99    HB   THR  13           HB       THR  13  74.847 -15.012  -2.427
  100    HG1  THR  13           HG1      THR  13  73.527 -14.516  -0.885
  101   1HG2  THR  13          HG23      THR  13  77.148 -14.133  -0.681
  102   2HG2  THR  13          HG22      THR  13  76.370 -15.704  -0.483
  103   3HG2  THR  13          HG21      THR  13  77.167 -15.300  -2.004
  104    H    GLU  14           HN       GLU  14  75.407 -13.866  -4.788
  105    HA   GLU  14           HA       GLU  14  73.747 -12.039  -6.103
  106   1HB   GLU  14           HB2      GLU  14  75.028 -14.303  -6.749
  107   2HB   GLU  14           HB1      GLU  14  73.397 -14.961  -6.626
  108   1HG   GLU  14           HG2      GLU  14  73.486 -14.293  -8.868
  109   2HG   GLU  14           HG1      GLU  14  72.729 -12.900  -8.094
  110    H    GLU  15           HN       GLU  15  72.677 -15.068  -4.495
  111    HA   GLU  15           HA       GLU  15  69.939 -14.956  -4.838
  112   1HB   GLU  15           HB2      GLU  15  71.445 -16.565  -3.503
  113   2HB   GLU  15           HB1      GLU  15  71.232 -15.455  -2.148
  114   1HG   GLU  15           HG2      GLU  15  69.546 -17.184  -1.967
  115   2HG   GLU  15           HG1      GLU  15  68.742 -15.687  -2.443
  116    H    GLN  16           HN       GLN  16  71.731 -13.242  -2.243
  117    HA   GLN  16           HA       GLN  16  69.432 -11.855  -1.206
  118   1HB   GLN  16           HB2      GLN  16  72.371 -11.884  -0.934
  119   2HB   GLN  16           HB1      GLN  16  71.629 -10.325  -0.571
  120   1HG   GLN  16           HG2      GLN  16  69.914 -11.949   0.740
  121   2HG   GLN  16           HG1      GLN  16  71.384 -12.916   0.862
  122   1HE2  GLN  16          HE22      GLN  16  72.590 -10.923   3.488
  123   2HE2  GLN  16          HE21      GLN  16  72.480 -12.456   2.767
  124    H    LYS  17           HN       LYS  17  72.030 -10.829  -3.451
  125    HA   LYS  17           HA       LYS  17  71.209  -8.169  -3.900
  126   1HB   LYS  17           HB2      LYS  17  72.653 -10.309  -5.415
  127   2HB   LYS  17           HB1      LYS  17  72.212  -8.839  -6.285
  128   1HG   LYS  17           HG2      LYS  17  73.634  -7.515  -5.055
  129   2HG   LYS  17           HG1      LYS  17  73.454  -8.494  -3.599
  130   1HD   LYS  17           HD2      LYS  17  75.499  -9.324  -4.109
  131   2HD   LYS  17           HD1      LYS  17  74.664 -10.250  -5.355
  132   1HE   LYS  17           HE2      LYS  17  75.492  -8.949  -7.047
  133   2HE   LYS  17           HE1      LYS  17  75.336  -7.456  -6.100
  134   1HZ   LYS  17           HZ3      LYS  17  77.365  -9.580  -5.638
  135   2HZ   LYS  17           HZ2      LYS  17  77.669  -8.087  -6.391
  136   3HZ   LYS  17           HZ1      LYS  17  77.214  -8.140  -4.755
  137    H    ASN  18           HN       ASN  18  70.020 -11.184  -5.367
  138    HA   ASN  18           HA       ASN  18  68.222  -9.804  -7.218
  139   1HB   ASN  18           HB2      ASN  18  69.041 -11.902  -7.924
  140   2HB   ASN  18           HB1      ASN  18  68.792 -12.632  -6.339
  141   1HD2  ASN  18          HD22      ASN  18  65.804 -14.014  -7.603
  142   2HD2  ASN  18          HD21      ASN  18  67.326 -14.303  -6.911
  143    H    GLU  19           HN       GLU  19  67.734 -11.860  -4.313
  144    HA   GLU  19           HA       GLU  19  64.968 -11.668  -4.020
  145   1HB   GLU  19           HB2      GLU  19  67.143 -12.544  -2.555
  146   2HB   GLU  19           HB1      GLU  19  66.495 -11.260  -1.535
  147   1HG   GLU  19           HG2      GLU  19  64.348 -12.298  -1.420
  148   2HG   GLU  19           HG1      GLU  19  64.743 -13.419  -2.724
  149    H    PHE  20           HN       PHE  20  67.432  -9.259  -3.135
  150    HA   PHE  20           HA       PHE  20  65.594  -7.407  -1.880
  151   1HB   PHE  20           HB2      PHE  20  68.417  -7.616  -2.666
  152   2HB   PHE  20           HB1      PHE  20  67.788  -5.972  -2.786
  153    HD1  PHE  20           HD2      PHE  20  65.766  -5.928  -0.643
  154    HD2  PHE  20           HD1      PHE  20  69.707  -7.636  -0.690
  155    HE1  PHE  20           HE2      PHE  20  65.896  -5.696   1.823
  156    HE2  PHE  20           HE1      PHE  20  69.837  -7.404   1.775
  157    HZ   PHE  20           HZ       PHE  20  67.931  -6.434   3.032
  158    H    LYS  21           HN       LYS  21  66.994  -7.668  -5.156
  159    HA   LYS  21           HA       LYS  21  65.901  -5.273  -6.246
  160   1HB   LYS  21           HB2      LYS  21  67.622  -6.583  -7.351
  161   2HB   LYS  21           HB1      LYS  21  66.556  -7.986  -7.438
  162   1HG   LYS  21           HG2      LYS  21  65.234  -5.716  -8.616
  163   2HG   LYS  21           HG1      LYS  21  66.828  -5.906  -9.347
  164   1HD   LYS  21           HD2      LYS  21  66.361  -8.069 -10.119
  165   2HD   LYS  21           HD1      LYS  21  65.054  -8.304  -8.958
  166   1HE   LYS  21           HE2      LYS  21  63.681  -6.624 -10.159
  167   2HE   LYS  21           HE1      LYS  21  64.989  -6.418 -11.340
  168   1HZ   LYS  21           HZ1      LYS  21  64.071  -9.132 -10.710
  169   2HZ   LYS  21           HZ3      LYS  21  63.116  -8.183 -11.742
  170   3HZ   LYS  21           HZ2      LYS  21  64.729  -8.524 -12.154
  171    H    ALA  22           HN       ALA  22  64.461  -8.406  -5.579
  172    HA   ALA  22           HA       ALA  22  62.122  -8.131  -7.245
  173   1HB   ALA  22           HB1      ALA  22  63.300 -10.085  -5.765
  174   2HB   ALA  22           HB3      ALA  22  61.977  -9.636  -4.689
  175   3HB   ALA  22           HB2      ALA  22  61.633 -10.179  -6.331
  176    H    ALA  23           HN       ALA  23  63.043  -6.755  -4.185
  177    HA   ALA  23           HA       ALA  23  60.226  -5.964  -3.589
  178   1HB   ALA  23           HB1      ALA  23  62.409  -6.857  -2.072
  179   2HB   ALA  23           HB3      ALA  23  62.297  -5.133  -1.713
  180   3HB   ALA  23           HB2      ALA  23  60.907  -6.183  -1.439
  181    H    PHE  24           HN       PHE  24  62.989  -4.780  -5.137
  182    HA   PHE  24           HA       PHE  24  62.468  -1.937  -4.416
  183   1HB   PHE  24           HB2      PHE  24  64.764  -2.707  -4.383
  184   2HB   PHE  24           HB1      PHE  24  64.605  -3.395  -5.999
  185    HD1  PHE  24           HD2      PHE  24  63.983  -1.764  -7.923
  186    HD2  PHE  24           HD1      PHE  24  65.503  -0.494  -4.112
  187    HE1  PHE  24           HE2      PHE  24  64.658   0.408  -8.916
  188    HE2  PHE  24           HE1      PHE  24  66.177   1.677  -5.103
  189    HZ   PHE  24           HZ       PHE  24  65.755   2.127  -7.505
  190    H    ASP  25           HN       ASP  25  62.636  -4.046  -7.303
  191    HA   ASP  25           HA       ASP  25  61.879  -2.053  -9.217
  192   1HB   ASP  25           HB2      ASP  25  62.846  -4.518  -9.354
  193   2HB   ASP  25           HB1      ASP  25  61.141  -4.949  -9.486
  194    H    ILE  26           HN       ILE  26  60.065  -3.523  -6.729
  195    HA   ILE  26           HA       ILE  26  57.472  -3.491  -8.101
  196    HB   ILE  26           HB       ILE  26  58.316  -3.799  -5.206
  197   1HG1  ILE  26          HG12      ILE  26  57.793  -5.730  -7.476
  198   2HG1  ILE  26          HG11      ILE  26  59.247  -5.583  -6.489
  199   1HG2  ILE  26          HG23      ILE  26  55.944  -3.098  -5.482
  200   2HG2  ILE  26          HG22      ILE  26  55.684  -4.462  -6.569
  201   3HG2  ILE  26          HG21      ILE  26  56.076  -4.748  -4.874
  202   1HD1  ILE  26          HD13      ILE  26  57.516  -6.084  -4.525
  203   2HD1  ILE  26          HD12      ILE  26  56.631  -6.862  -5.837
  204   3HD1  ILE  26          HD11      ILE  26  58.267  -7.389  -5.441
  205    H    PHE  27           HN       PHE  27  59.452  -1.110  -6.705
  206    HA   PHE  27           HA       PHE  27  57.173   0.800  -6.660
  207   1HB   PHE  27           HB2      PHE  27  58.863  -0.102  -4.347
  208   2HB   PHE  27           HB1      PHE  27  58.275   1.560  -4.376
  209    HD1  PHE  27           HD1      PHE  27  55.845   2.040  -4.399
  210    HD2  PHE  27           HD2      PHE  27  57.357  -1.963  -4.034
  211    HE1  PHE  27           HE1      PHE  27  53.617   1.269  -3.629
  212    HE2  PHE  27           HE2      PHE  27  55.130  -2.735  -3.263
  213    HZ   PHE  27           HZ       PHE  27  53.259  -1.119  -3.061
  214    H    VAL  28           HN       VAL  28  59.208   0.708  -8.581
  215    HA   VAL  28           HA       VAL  28  61.238   2.722  -7.766
  216    HB   VAL  28           HB       VAL  28  60.840   1.154 -10.335
  217   1HG1  VAL  28          HG12      VAL  28  62.502   3.351  -9.733
  218   2HG1  VAL  28          HG11      VAL  28  63.550   1.933  -9.687
  219   3HG1  VAL  28          HG13      VAL  28  62.612   2.290 -11.137
  220   1HG2  VAL  28          HG21      VAL  28  62.433   0.602  -7.821
  221   2HG2  VAL  28          HG23      VAL  28  61.218  -0.427  -8.579
  222   3HG2  VAL  28          HG22      VAL  28  62.783  -0.192  -9.356
  223    H    LEU  29           HN       LEU  29  58.168   3.032  -8.554
  224    HA   LEU  29           HA       LEU  29  58.278   4.795 -10.874
  225   1HB   LEU  29           HB2      LEU  29  55.936   4.877 -10.609
  226   2HB   LEU  29           HB1      LEU  29  56.365   3.290  -9.993
  227    HG   LEU  29           HG       LEU  29  54.840   4.180  -8.412
  228   1HD1  LEU  29          HD11      LEU  29  57.673   4.602  -7.449
  229   2HD1  LEU  29          HD13      LEU  29  56.274   4.668  -6.383
  230   3HD1  LEU  29          HD12      LEU  29  56.663   3.177  -7.237
  231   1HD2  LEU  29          HD21      LEU  29  55.567   6.634  -9.378
  232   2HD2  LEU  29          HD23      LEU  29  54.562   6.383  -7.950
  233   3HD2  LEU  29          HD22      LEU  29  56.294   6.664  -7.771
  234    H    GLY  30           HN       GLY  30  59.490   5.281  -7.883
  235   1HA   GLY  30           HA2      GLY  30  58.478   8.044  -7.540
  236   2HA   GLY  30           HA1      GLY  30  59.531   7.185  -6.413
  237    H    ALA  31           HN       ALA  31  59.938   7.605  -9.918
  238    HA   ALA  31           HA       ALA  31  61.815   9.727  -9.898
  239   1HB   ALA  31           HB1      ALA  31  62.823   6.989  -9.184
  240   2HB   ALA  31           HB3      ALA  31  63.871   8.071 -10.101
  241   3HB   ALA  31           HB2      ALA  31  63.283   8.553  -8.509
  242    H    GLU  32           HN       GLU  32  63.568   9.147 -11.851
  243    HA   GLU  32           HA       GLU  32  61.985   7.819 -14.025
  244   1HB   GLU  32           HB2      GLU  32  63.120  10.558 -13.740
  245   2HB   GLU  32           HB1      GLU  32  63.265   9.809 -15.331
  246   1HG   GLU  32           HG2      GLU  32  60.946   9.641 -15.612
  247   2HG   GLU  32           HG1      GLU  32  60.632   9.747 -13.879
  248    H    ASP  33           HN       ASP  33  64.237   6.771 -12.415
  249    HA   ASP  33           HA       ASP  33  65.979   5.965 -14.643
  250   1HB   ASP  33           HB2      ASP  33  68.018   6.829 -13.467
  251   2HB   ASP  33           HB1      ASP  33  66.932   8.117 -13.988
  252    H    GLY  34           HN       GLY  34  64.384   4.263 -13.260
  253   1HA   GLY  34           HA2      GLY  34  64.380   2.340 -11.913
  254   2HA   GLY  34           HA1      GLY  34  66.114   2.288 -12.234
  255    H    CYS  35           HN       CYS  35  64.208   4.723 -10.454
  256    HA   CYS  35           HA       CYS  35  65.762   4.001  -7.992
  257   1HB   CYS  35           HB2      CYS  35  65.207   6.727  -9.206
  258   2HB   CYS  35           HB1      CYS  35  65.942   6.479  -7.622
  259    HG   CYS  35           HG       CYS  35  68.102   6.134  -8.770
  260    H    ILE  36           HN       ILE  36  64.659   4.700  -5.982
  261    HA   ILE  36           HA       ILE  36  61.688   4.913  -6.363
  262    HB   ILE  36           HB       ILE  36  61.558   3.690  -4.239
  263   1HG1  ILE  36          HG12      ILE  36  64.592   3.686  -4.312
  264   2HG1  ILE  36          HG11      ILE  36  63.628   4.729  -3.265
  265   1HG2  ILE  36          HG21      ILE  36  62.931   2.696  -6.617
  266   2HG2  ILE  36          HG23      ILE  36  63.365   1.786  -5.170
  267   3HG2  ILE  36          HG22      ILE  36  61.674   1.927  -5.648
  268   1HD1  ILE  36          HD12      ILE  36  63.353   1.715  -3.282
  269   2HD1  ILE  36          HD11      ILE  36  64.438   2.572  -2.188
  270   3HD1  ILE  36          HD13      ILE  36  62.699   2.848  -2.101
  271    H    SER  37           HN       SER  37  60.570   6.129  -4.584
  272    HA   SER  37           HA       SER  37  62.040   8.608  -3.952
  273   1HB   SER  37           HB2      SER  37  59.296   7.654  -4.250
  274   2HB   SER  37           HB1      SER  37  59.482   8.686  -2.836
  275    HG   SER  37           HG       SER  37  60.472  10.229  -4.214
  276    H    THR  38           HN       THR  38  62.731   9.170  -1.892
  277    HA   THR  38           HA       THR  38  63.342   7.339   0.103
  278    HB   THR  38           HB       THR  38  63.120   9.473   1.596
  279    HG1  THR  38           HG1      THR  38  62.226  11.117   0.673
  280   1HG2  THR  38          HG23      THR  38  64.815   9.181  -0.876
  281   2HG2  THR  38          HG22      THR  38  65.012  10.562   0.202
  282   3HG2  THR  38          HG21      THR  38  65.271   8.926   0.808
  283    H    LYS  39           HN       LYS  39  60.258   9.020  -0.400
  284    HA   LYS  39           HA       LYS  39  59.065   8.111   2.096
  285   1HB   LYS  39           HB2      LYS  39  58.163   9.429  -0.458
  286   2HB   LYS  39           HB1      LYS  39  56.971   8.887   0.725
  287   1HG   LYS  39           HG2      LYS  39  58.395  10.174   2.459
  288   2HG   LYS  39           HG1      LYS  39  59.143  10.954   1.065
  289   1HD   LYS  39           HD2      LYS  39  57.223  12.093   0.493
  290   2HD   LYS  39           HD1      LYS  39  56.163  10.835   1.131
  291   1HE   LYS  39           HE2      LYS  39  55.859  12.303   2.865
  292   2HE   LYS  39           HE1      LYS  39  57.434  11.702   3.418
  293   1HZ   LYS  39           HZ1      LYS  39  58.300  13.410   1.664
  294   2HZ   LYS  39           HZ3      LYS  39  56.802  14.158   1.934
  295   3HZ   LYS  39           HZ2      LYS  39  57.881  13.928   3.227
  296    H    GLU  40           HN       GLU  40  59.651   6.643  -0.961
  297    HA   GLU  40           HA       GLU  40  57.403   4.729  -0.732
  298   1HB   GLU  40           HB2      GLU  40  59.690   5.100  -2.693
  299   2HB   GLU  40           HB1      GLU  40  58.396   3.918  -2.889
  300   1HG   GLU  40           HG2      GLU  40  57.807   6.852  -2.489
  301   2HG   GLU  40           HG1      GLU  40  58.102   6.179  -4.092
  302    H    LEU  41           HN       LEU  41  60.935   4.812  -0.381
  303    HA   LEU  41           HA       LEU  41  61.640   2.135  -0.237
  304   1HB   LEU  41           HB2      LEU  41  62.882   4.421   0.234
  305   2HB   LEU  41           HB1      LEU  41  62.523   4.033   1.917
  306    HG   LEU  41           HG       LEU  41  63.928   2.160  -0.008
  307   1HD1  LEU  41          HD13      LEU  41  64.915   4.446   1.387
  308   2HD1  LEU  41          HD12      LEU  41  65.558   3.011   2.186
  309   3HD1  LEU  41          HD11      LEU  41  65.833   3.259   0.461
  310   1HD2  LEU  41          HD23      LEU  41  62.828   1.931   2.713
  311   2HD2  LEU  41          HD22      LEU  41  63.268   0.662   1.569
  312   3HD2  LEU  41          HD21      LEU  41  64.507   1.406   2.581
  313    H    GLY  42           HN       GLY  42  59.949   4.032   2.255
  314   1HA   GLY  42           HA2      GLY  42  59.997   2.330   4.438
  315   2HA   GLY  42           HA1      GLY  42  58.565   3.262   4.004
  316    H    LYS  43           HN       LYS  43  57.340   2.206   2.029
  317    HA   LYS  43           HA       LYS  43  56.252  -0.268   2.834
  318   1HB   LYS  43           HB2      LYS  43  56.044   1.629   0.702
  319   2HB   LYS  43           HB1      LYS  43  56.094   0.015  -0.009
  320   1HG   LYS  43           HG2      LYS  43  53.949  -0.292   0.587
  321   2HG   LYS  43           HG1      LYS  43  54.418  -0.138   2.281
  322   1HD   LYS  43           HD2      LYS  43  54.422   2.487   1.333
  323   2HD   LYS  43           HD1      LYS  43  53.002   1.759   0.582
  324   1HE   LYS  43           HE2      LYS  43  52.636   0.787   3.046
  325   2HE   LYS  43           HE1      LYS  43  53.573   2.231   3.481
  326   1HZ   LYS  43           HZ1      LYS  43  52.022   3.337   1.720
  327   2HZ   LYS  43           HZ3      LYS  43  50.990   2.044   2.092
  328   3HZ   LYS  43           HZ2      LYS  43  51.479   3.118   3.314
  329    H    VAL  44           HN       VAL  44  58.908   0.390   0.545
  330    HA   VAL  44           HA       VAL  44  59.259  -2.305  -0.368
  331    HB   VAL  44           HB       VAL  44  60.925   0.202  -0.197
  332   1HG1  VAL  44          HG12      VAL  44  61.882  -2.545  -0.576
  333   2HG1  VAL  44          HG11      VAL  44  62.302  -1.476  -1.914
  334   3HG1  VAL  44          HG13      VAL  44  62.798  -1.069  -0.271
  335   1HG2  VAL  44          HG22      VAL  44  59.034  -0.179  -1.879
  336   2HG2  VAL  44          HG21      VAL  44  60.599   0.254  -2.565
  337   3HG2  VAL  44          HG23      VAL  44  60.057  -1.424  -2.597
  338    H    MET  45           HN       MET  45  60.573  -0.514   2.406
  339    HA   MET  45           HA       MET  45  62.531  -2.421   3.237
  340   1HB   MET  45           HB2      MET  45  60.990  -0.143   4.375
  341   2HB   MET  45           HB1      MET  45  61.751  -1.231   5.535
  342   1HG   MET  45           HG2      MET  45  63.501  -0.532   3.284
  343   2HG   MET  45           HG1      MET  45  63.023   0.860   4.257
  344   1HE   MET  45           HE3      MET  45  65.317   1.075   4.292
  345   2HE   MET  45           HE2      MET  45  65.493   1.315   6.027
  346   3HE   MET  45           HE1      MET  45  66.521   0.149   5.198
  347    H    ARG  46           HN       ARG  46  59.159  -1.963   4.386
  348    HA   ARG  46           HA       ARG  46  59.227  -4.426   5.960
  349   1HB   ARG  46           HB2      ARG  46  56.800  -3.806   6.263
  350   2HB   ARG  46           HB1      ARG  46  57.920  -2.503   6.663
  351   1HG   ARG  46           HG2      ARG  46  57.272  -1.219   4.886
  352   2HG   ARG  46           HG1      ARG  46  57.033  -2.615   3.835
  353   1HD   ARG  46           HD2      ARG  46  55.134  -2.522   6.083
  354   2HD   ARG  46           HD1      ARG  46  54.983  -1.155   4.960
  355    HE   ARG  46           HE       ARG  46  55.278  -3.345   3.290
  356   1HH1  ARG  46          HH21      ARG  46  52.786  -1.630   4.525
  357   2HH1  ARG  46          HH22      ARG  46  51.623  -2.913   4.544
  358   1HH2  ARG  46          HH11      ARG  46  53.956  -5.395   3.900
  359   2HH2  ARG  46          HH12      ARG  46  52.285  -5.044   4.190
  360    H    MET  47           HN       MET  47  58.907  -3.823   2.666
  361    HA   MET  47           HA       MET  47  56.880  -5.868   2.083
  362   1HB   MET  47           HB2      MET  47  58.517  -3.844   0.678
  363   2HB   MET  47           HB1      MET  47  58.168  -5.292  -0.268
  364   1HG   MET  47           HG2      MET  47  56.020  -3.780   1.229
  365   2HG   MET  47           HG1      MET  47  56.448  -3.411  -0.442
  366   1HE   MET  47           HE2      MET  47  56.250  -4.692  -2.320
  367   2HE   MET  47           HE1      MET  47  57.017  -6.219  -1.888
  368   3HE   MET  47           HE3      MET  47  55.381  -6.205  -2.561
  369    H    LEU  48           HN       LEU  48  60.353  -5.640   2.351
  370    HA   LEU  48           HA       LEU  48  60.716  -8.366   1.207
  371   1HB   LEU  48           HB2      LEU  48  62.272  -6.859   0.316
  372   2HB   LEU  48           HB1      LEU  48  62.405  -5.957   1.821
  373    HG   LEU  48           HG       LEU  48  64.402  -7.439   1.139
  374   1HD1  LEU  48          HD11      LEU  48  63.223  -6.804   3.658
  375   2HD1  LEU  48          HD13      LEU  48  63.919  -8.421   3.778
  376   3HD1  LEU  48          HD12      LEU  48  64.928  -7.061   3.286
  377   1HD2  LEU  48          HD21      LEU  48  62.331  -9.398   1.160
  378   2HD2  LEU  48          HD23      LEU  48  64.050  -9.642   0.859
  379   3HD2  LEU  48          HD22      LEU  48  63.418  -9.767   2.498
  380    H    GLY  49           HN       GLY  49  60.857  -6.540   4.212
  381   1HA   GLY  49           HA2      GLY  49  60.429  -8.605   5.985
  382   2HA   GLY  49           HA1      GLY  49  62.171  -8.673   5.716
  383    H    GLN  50           HN       GLN  50  63.310  -6.477   5.981
  384    HA   GLN  50           HA       GLN  50  63.190  -5.486   8.554
  385   1HB   GLN  50           HB2      GLN  50  63.957  -4.361   5.886
  386   2HB   GLN  50           HB1      GLN  50  63.968  -3.277   7.278
  387   1HG   GLN  50           HG2      GLN  50  65.439  -5.923   7.090
  388   2HG   GLN  50           HG1      GLN  50  66.177  -4.326   6.978
  389   1HE2  GLN  50          HE22      GLN  50  65.947  -3.679  10.484
  390   2HE2  GLN  50          HE21      GLN  50  66.127  -2.957   8.958
  391    H    ASN  51           HN       ASN  51  61.677  -4.355   9.713
  392    HA   ASN  51           HA       ASN  51  59.633  -2.767   8.192
  393   1HB   ASN  51           HB2      ASN  51  59.412  -5.052   9.947
  394   2HB   ASN  51           HB1      ASN  51  58.558  -3.678  10.649
  395   1HD2  ASN  51          HD22      ASN  51  56.977  -5.567   7.455
  396   2HD2  ASN  51          HD21      ASN  51  58.363  -6.140   8.249
  397    HA   PRO  52           HA       PRO  52  61.783  -0.362  11.631
  398   1HB   PRO  52           HB2      PRO  52  63.101   1.443  10.053
  399   2HB   PRO  52           HB1      PRO  52  63.815  -0.104  10.553
  400   1HG   PRO  52           HG2      PRO  52  62.570   0.654   7.961
  401   2HG   PRO  52           HG1      PRO  52  63.980  -0.368   8.281
  402   1HD   PRO  52           HD2      PRO  52  61.502  -1.347   7.668
  403   2HD   PRO  52           HD1      PRO  52  62.710  -2.237   8.621
  404    H    THR  53           HN       THR  53  61.905   2.415  11.180
  405    HA   THR  53           HA       THR  53  59.047   3.035  10.511
  406    HB   THR  53           HB       THR  53  59.563   3.384  12.839
  407    HG1  THR  53           HG1      THR  53  58.853   5.376  12.905
  408   1HG2  THR  53          HG23      THR  53  62.085   4.541  11.712
  409   2HG2  THR  53          HG22      THR  53  61.504   5.124  13.272
  410   3HG2  THR  53          HG21      THR  53  61.874   3.414  13.051
  411    HA   PRO  54           HA       PRO  54  60.484   5.687   7.316
  412   1HB   PRO  54           HB2      PRO  54  58.477   7.548   7.285
  413   2HB   PRO  54           HB1      PRO  54  58.275   5.897   6.667
  414   1HG   PRO  54           HG2      PRO  54  57.411   7.064   9.262
  415   2HG   PRO  54           HG1      PRO  54  56.591   5.890   8.222
  416   1HD   PRO  54           HD2      PRO  54  57.950   5.215  10.495
  417   2HD   PRO  54           HD1      PRO  54  57.716   4.114   9.119
  418    H    GLU  55           HN       GLU  55  59.544   7.165  10.402
  419    HA   GLU  55           HA       GLU  55  60.595   9.770  10.055
  420   1HB   GLU  55           HB2      GLU  55  59.561   8.104  12.099
  421   2HB   GLU  55           HB1      GLU  55  61.102   8.721  12.698
  422   1HG   GLU  55           HG2      GLU  55  60.331  11.031  11.961
  423   2HG   GLU  55           HG1      GLU  55  58.734  10.324  11.708
  424    H    GLU  56           HN       GLU  56  62.238   6.720  10.776
  425    HA   GLU  56           HA       GLU  56  64.798   7.918  11.446
  426   1HB   GLU  56           HB2      GLU  56  63.625   5.230  10.913
  427   2HB   GLU  56           HB1      GLU  56  65.375   5.377  10.753
  428   1HG   GLU  56           HG2      GLU  56  63.741   6.164  13.185
  429   2HG   GLU  56           HG1      GLU  56  64.789   4.751  13.055
  430    H    LEU  57           HN       LEU  57  63.561   6.244   8.525
  431    HA   LEU  57           HA       LEU  57  65.738   6.311   6.832
  432   1HB   LEU  57           HB2      LEU  57  62.848   6.329   6.650
  433   2HB   LEU  57           HB1      LEU  57  63.546   7.250   5.316
  434    HG   LEU  57           HG       LEU  57  65.056   5.336   4.820
  435   1HD1  LEU  57          HD11      LEU  57  63.491   4.088   7.091
  436   2HD1  LEU  57          HD13      LEU  57  64.390   3.129   5.915
  437   3HD1  LEU  57          HD12      LEU  57  65.240   4.270   6.957
  438   1HD2  LEU  57          HD23      LEU  57  62.815   5.594   3.718
  439   2HD2  LEU  57          HD22      LEU  57  63.348   3.916   3.822
  440   3HD2  LEU  57          HD21      LEU  57  62.134   4.527   4.946
  441    H    GLN  58           HN       GLN  58  63.431   9.035   7.220
  442    HA   GLN  58           HA       GLN  58  64.785  10.915   5.591
  443   1HB   GLN  58           HB2      GLN  58  62.510  11.172   6.472
  444   2HB   GLN  58           HB1      GLN  58  63.137  11.263   8.118
  445   1HG   GLN  58           HG2      GLN  58  62.641  13.514   7.179
  446   2HG   GLN  58           HG1      GLN  58  64.348  13.319   7.576
  447   1HE2  GLN  58          HE22      GLN  58  63.818  12.668   3.596
  448   2HE2  GLN  58          HE21      GLN  58  63.088  11.660   4.750
  449    H    GLU  59           HN       GLU  59  65.432   9.858   8.888
  450    HA   GLU  59           HA       GLU  59  67.265  12.045   9.517
  451   1HB   GLU  59           HB2      GLU  59  65.996  10.858  11.233
  452   2HB   GLU  59           HB1      GLU  59  66.712   9.323  10.743
  453   1HG   GLU  59           HG2      GLU  59  68.806   9.861  11.625
  454   2HG   GLU  59           HG1      GLU  59  68.500  11.597  11.552
  455    H    MET  60           HN       MET  60  67.502   9.397   7.469
  456    HA   MET  60           HA       MET  60  70.480   9.253   7.826
  457   1HB   MET  60           HB2      MET  60  68.386   7.223   7.013
  458   2HB   MET  60           HB1      MET  60  70.111   6.945   6.769
  459   1HG   MET  60           HG2      MET  60  70.563   6.981   9.093
  460   2HG   MET  60           HG1      MET  60  69.014   7.738   9.467
  461   1HE   MET  60           HE3      MET  60  70.547   4.857   7.527
  462   2HE   MET  60           HE2      MET  60  69.373   3.548   7.636
  463   3HE   MET  60           HE1      MET  60  68.993   4.985   6.692
  464    H    ILE  61           HN       ILE  61  67.785   9.616   5.597
  465    HA   ILE  61           HA       ILE  61  69.334   9.407   3.152
  466    HB   ILE  61           HB       ILE  61  66.644  10.606   3.883
  467   1HG1  ILE  61          HG12      ILE  61  66.918   8.167   2.213
  468   2HG1  ILE  61          HG11      ILE  61  67.400   7.995   3.901
  469   1HG2  ILE  61          HG23      ILE  61  67.986  11.316   1.659
  470   2HG2  ILE  61          HG22      ILE  61  67.281   9.804   1.088
  471   3HG2  ILE  61          HG21      ILE  61  66.237  11.097   1.677
  472   1HD1  ILE  61          HD12      ILE  61  65.014   9.478   3.966
  473   2HD1  ILE  61          HD11      ILE  61  64.736   8.202   2.781
  474   3HD1  ILE  61          HD13      ILE  61  65.221   7.788   4.426
  475    H    ASP  62           HN       ASP  62  68.404  12.065   5.307
  476    HA   ASP  62           HA       ASP  62  68.971  14.308   3.718
  477   1HB   ASP  62           HB2      ASP  62  69.572  15.329   5.965
  478   2HB   ASP  62           HB1      ASP  62  68.032  14.468   5.936
  479    H    GLU  63           HN       GLU  63  71.250  12.293   5.592
  480    HA   GLU  63           HA       GLU  63  73.540  13.843   4.494
  481   1HB   GLU  63           HB2      GLU  63  74.784  12.420   6.161
  482   2HB   GLU  63           HB1      GLU  63  73.491  13.378   6.883
  483   1HG   GLU  63           HG2      GLU  63  72.276  11.543   7.439
  484   2HG   GLU  63           HG1      GLU  63  72.624  10.737   5.909
  485    H    VAL  64           HN       VAL  64  71.843  10.845   4.049
  486    HA   VAL  64           HA       VAL  64  74.078   9.462   2.731
  487    HB   VAL  64           HB       VAL  64  71.147   8.947   3.247
  488   1HG1  VAL  64          HG12      VAL  64  73.076   7.374   1.529
  489   2HG1  VAL  64          HG11      VAL  64  71.659   6.633   2.275
  490   3HG1  VAL  64          HG13      VAL  64  71.459   7.940   1.109
  491   1HG2  VAL  64          HG22      VAL  64  73.279   8.634   4.862
  492   2HG2  VAL  64          HG21      VAL  64  71.899   7.536   4.902
  493   3HG2  VAL  64          HG23      VAL  64  73.354   7.093   4.008
  494    H    ASP  65           HN       ASP  65  71.185  11.277   1.783
  495    HA   ASP  65           HA       ASP  65  71.026  10.622  -0.957
  496   1HB   ASP  65           HB2      ASP  65  69.910  12.813  -1.126
  497   2HB   ASP  65           HB1      ASP  65  69.432  11.999   0.363
  498    H    GLU  66           HN       GLU  66  73.270  10.368  -1.685
  499    HA   GLU  66           HA       GLU  66  75.143  12.591  -1.635
  500   1HB   GLU  66           HB2      GLU  66  75.177   9.853  -2.076
  501   2HB   GLU  66           HB1      GLU  66  75.502  10.515  -3.679
  502   1HG   GLU  66           HG2      GLU  66  76.994  11.984  -1.690
  503   2HG   GLU  66           HG1      GLU  66  77.328  10.258  -1.541
  504    H    ASP  67           HN       ASP  67  72.857  11.274  -4.022
  505    HA   ASP  67           HA       ASP  67  72.857  13.835  -5.471
  506   1HB   ASP  67           HB2      ASP  67  74.879  12.423  -6.196
  507   2HB   ASP  67           HB1      ASP  67  73.708  11.314  -6.911
  508    H    GLY  68           HN       GLY  68  70.787  12.402  -4.120
  509   1HA   GLY  68           HA2      GLY  68  69.130  11.469  -6.432
  510   2HA   GLY  68           HA1      GLY  68  68.960  10.810  -4.804
  511    H    SER  69           HN       SER  69  69.214  13.368  -3.448
  512    HA   SER  69           HA       SER  69  67.871  15.211  -2.810
  513   1HB   SER  69           HB2      SER  69  68.191  15.451  -5.429
  514   2HB   SER  69           HB1      SER  69  66.484  15.022  -5.465
  515    HG   SER  69           HG       SER  69  66.013  16.914  -4.672
  516    H    GLY  70           HN       GLY  70  66.994  12.318  -2.567
  517   1HA   GLY  70           HA2      GLY  70  64.953  11.886  -1.167
  518   2HA   GLY  70           HA1      GLY  70  64.054  12.837  -2.350
  519    H    THR  71           HN       THR  71  66.504  10.842  -3.681
  520    HA   THR  71           HA       THR  71  64.569   8.633  -4.223
  521    HB   THR  71           HB       THR  71  65.123   8.845  -6.638
  522    HG1  THR  71           HG1      THR  71  66.344  11.291  -5.925
  523   1HG2  THR  71          HG22      THR  71  63.311  10.271  -5.257
  524   2HG2  THR  71          HG21      THR  71  64.284  11.600  -5.888
  525   3HG2  THR  71          HG23      THR  71  63.528  10.455  -6.998
  526    H    VAL  72           HN       VAL  72  65.607   6.706  -3.938
  527    HA   VAL  72           HA       VAL  72  68.598   6.670  -4.101
  528    HB   VAL  72           HB       VAL  72  68.139   4.535  -2.650
  529   1HG1  VAL  72          HG11      VAL  72  67.884   7.414  -1.824
  530   2HG1  VAL  72          HG13      VAL  72  67.833   6.123  -0.622
  531   3HG1  VAL  72          HG12      VAL  72  69.262   6.325  -1.636
  532   1HG2  VAL  72          HG23      VAL  72  65.559   5.000  -3.189
  533   2HG2  VAL  72          HG22      VAL  72  66.069   4.302  -1.654
  534   3HG2  VAL  72          HG21      VAL  72  65.705   6.024  -1.761
  535    H    ASP  73           HN       ASP  73  69.590   4.818  -5.062
  536    HA   ASP  73           HA       ASP  73  67.809   3.296  -6.936
  537   1HB   ASP  73           HB2      ASP  73  70.030   3.124  -8.229
  538   2HB   ASP  73           HB1      ASP  73  69.299   4.728  -8.148
  539    H    PHE  74           HN       PHE  74  69.439   1.227  -7.623
  540    HA   PHE  74           HA       PHE  74  69.399  -0.476  -5.296
  541   1HB   PHE  74           HB2      PHE  74  69.230  -0.960  -7.861
  542   2HB   PHE  74           HB1      PHE  74  70.992  -0.978  -7.808
  543    HD1  PHE  74           HD1      PHE  74  67.955  -2.491  -6.247
  544    HD2  PHE  74           HD2      PHE  74  72.163  -2.873  -7.019
  545    HE1  PHE  74           HE1      PHE  74  67.907  -4.806  -5.361
  546    HE2  PHE  74           HE2      PHE  74  72.115  -5.188  -6.133
  547    HZ   PHE  74           HZ       PHE  74  69.987  -6.155  -5.304
  548    H    ASP  75           HN       ASP  75  71.663   1.830  -6.409
  549    HA   ASP  75           HA       ASP  75  74.025   0.515  -5.230
  550   1HB   ASP  75           HB2      ASP  75  73.771   2.085  -7.326
  551   2HB   ASP  75           HB1      ASP  75  73.847   3.380  -6.130
  552    H    GLU  76           HN       GLU  76  71.798   3.183  -4.469
  553    HA   GLU  76           HA       GLU  76  73.289   3.878  -2.018
  554   1HB   GLU  76           HB2      GLU  76  70.636   4.840  -3.139
  555   2HB   GLU  76           HB1      GLU  76  71.580   5.635  -1.878
  556   1HG   GLU  76           HG2      GLU  76  73.498   5.679  -3.612
  557   2HG   GLU  76           HG1      GLU  76  72.247   5.328  -4.804
  558    H    PHE  77           HN       PHE  77  69.985   2.702  -2.801
  559    HA   PHE  77           HA       PHE  77  68.953   2.305  -0.252
  560   1HB   PHE  77           HB2      PHE  77  67.684   1.875  -2.255
  561   2HB   PHE  77           HB1      PHE  77  68.805   0.609  -2.759
  562    HD1  PHE  77           HD2      PHE  77  66.786   1.488   0.288
  563    HD2  PHE  77           HD1      PHE  77  68.098  -1.578  -2.420
  564    HE1  PHE  77           HE2      PHE  77  65.458  -0.189   1.544
  565    HE2  PHE  77           HE1      PHE  77  66.770  -3.255  -1.164
  566    HZ   PHE  77           HZ       PHE  77  65.450  -2.560   0.818
  567    H    LEU  78           HN       LEU  78  70.936  -0.075  -2.066
  568    HA   LEU  78           HA       LEU  78  71.093  -2.153  -0.229
  569   1HB   LEU  78           HB2      LEU  78  72.866  -0.928  -2.281
  570   2HB   LEU  78           HB1      LEU  78  73.630  -2.071  -1.177
  571    HG   LEU  78           HG       LEU  78  71.083  -2.665  -2.705
  572   1HD1  LEU  78          HD13      LEU  78  73.648  -2.412  -3.771
  573   2HD1  LEU  78          HD12      LEU  78  73.477  -4.144  -3.480
  574   3HD1  LEU  78          HD11      LEU  78  72.306  -3.300  -4.495
  575   1HD2  LEU  78          HD21      LEU  78  73.030  -4.387  -1.136
  576   2HD2  LEU  78          HD23      LEU  78  71.379  -3.984  -0.664
  577   3HD2  LEU  78          HD22      LEU  78  71.670  -5.006  -2.071
  578    H    VAL  79           HN       VAL  79  73.305   0.673  -0.318
  579    HA   VAL  79           HA       VAL  79  74.782   0.050   2.025
  580    HB   VAL  79           HB       VAL  79  73.993   2.712   0.797
  581   1HG1  VAL  79          HG13      VAL  79  75.903   1.924   2.959
  582   2HG1  VAL  79          HG12      VAL  79  76.393   3.200   1.845
  583   3HG1  VAL  79          HG11      VAL  79  74.926   3.383   2.805
  584   1HG2  VAL  79          HG23      VAL  79  75.196   0.871  -0.597
  585   2HG2  VAL  79          HG22      VAL  79  75.888   2.493  -0.590
  586   3HG2  VAL  79          HG21      VAL  79  76.592   1.229   0.419
  587    H    MET  80           HN       MET  80  71.830   2.038   1.644
  588    HA   MET  80           HA       MET  80  71.555   2.834   4.365
  589   1HB   MET  80           HB2      MET  80  69.899   2.603   1.914
  590   2HB   MET  80           HB1      MET  80  69.000   2.682   3.430
  591   1HG   MET  80           HG2      MET  80  70.903   4.633   3.798
  592   2HG   MET  80           HG1      MET  80  70.571   4.768   2.072
  593   1HE   MET  80           HE3      MET  80  68.993   5.427   1.022
  594   2HE   MET  80           HE2      MET  80  67.327   4.991   1.393
  595   3HE   MET  80           HE1      MET  80  67.858   6.659   1.590
  596    H    MET  81           HN       MET  81  70.614  -0.145   2.695
  597    HA   MET  81           HA       MET  81  69.043  -1.179   4.930
  598   1HB   MET  81           HB2      MET  81  70.036  -2.086   2.255
  599   2HB   MET  81           HB1      MET  81  69.483  -3.315   3.394
  600   1HG   MET  81           HG2      MET  81  67.875  -0.889   2.544
  601   2HG   MET  81           HG1      MET  81  67.642  -2.525   1.925
  602   1HE   MET  81           HE3      MET  81  67.942  -4.474   3.950
  603   2HE   MET  81           HE2      MET  81  66.435  -4.585   4.857
  604   3HE   MET  81           HE1      MET  81  66.390  -4.399   3.105
  605    H    VAL  82           HN       VAL  82  72.178  -2.157   3.474
  606    HA   VAL  82           HA       VAL  82  72.885  -4.013   5.533
  607    HB   VAL  82           HB       VAL  82  75.110  -3.832   4.493
  608   1HG1  VAL  82          HG11      VAL  82  72.608  -4.119   2.999
  609   2HG1  VAL  82          HG13      VAL  82  73.962  -3.652   1.971
  610   3HG1  VAL  82          HG12      VAL  82  74.063  -5.115   2.952
  611   1HG2  VAL  82          HG23      VAL  82  74.299  -1.145   4.100
  612   2HG2  VAL  82          HG22      VAL  82  75.837  -1.876   3.640
  613   3HG2  VAL  82          HG21      VAL  82  74.498  -1.844   2.493
  614    H    ARG  83           HN       ARG  83  72.839  -0.568   5.511
  615    HA   ARG  83           HA       ARG  83  74.936  -0.207   7.533
  616   1HB   ARG  83           HB2      ARG  83  74.556   1.532   5.921
  617   2HB   ARG  83           HB1      ARG  83  72.823   1.543   6.250
  618   1HG   ARG  83           HG2      ARG  83  73.120   2.533   8.384
  619   2HG   ARG  83           HG1      ARG  83  74.846   2.166   8.403
  620   1HD   ARG  83           HD2      ARG  83  75.340   4.097   7.321
  621   2HD   ARG  83           HD1      ARG  83  74.109   3.784   6.081
  622    HE   ARG  83           HE       ARG  83  72.700   5.236   7.285
  623   1HH1  ARG  83          HH21      ARG  83  75.468   5.207   9.060
  624   2HH1  ARG  83          HH22      ARG  83  74.722   5.363  10.616
  625   1HH2  ARG  83          HH11      ARG  83  71.513   4.806   9.426
  626   2HH2  ARG  83          HH12      ARG  83  72.483   5.136  10.822
  627    H    CYS  84           HN       CYS  84  71.382  -0.321   7.446
  628    HA   CYS  84           HA       CYS  84  71.029   0.398  10.239
  629   1HB   CYS  84           HB2      CYS  84  69.488   0.101   7.934
  630   2HB   CYS  84           HB1      CYS  84  68.926  -1.202   8.980
  631    HG   CYS  84           HG       CYS  84  68.582   1.812   9.530
  632    H    MET  85           HN       MET  85  71.725  -2.562   8.523
  633    HA   MET  85           HA       MET  85  70.752  -4.454  10.454
  634   1HB   MET  85           HB2      MET  85  72.566  -4.346   8.109
  635   2HB   MET  85           HB1      MET  85  72.847  -5.686   9.222
  636   1HG   MET  85           HG2      MET  85  70.374  -6.189   9.101
  637   2HG   MET  85           HG1      MET  85  70.259  -4.990   7.812
  638   1HE   MET  85           HE3      MET  85  69.773  -5.802   5.842
  639   2HE   MET  85           HE2      MET  85  71.389  -5.308   5.345
  640   3HE   MET  85           HE1      MET  85  70.751  -6.863   4.817
  641    H    LYS  86           HN       LYS  86  74.203  -4.383   9.802
  642    HA   LYS  86           HA       LYS  86  76.043  -4.437  11.287
  643   1HB   LYS  86           HB2      LYS  86  74.487  -2.147  11.659
  644   2HB   LYS  86           HB1      LYS  86  74.759  -2.748  13.296
  645   1HG   LYS  86           HG2      LYS  86  77.223  -2.965  12.664
  646   2HG   LYS  86           HG1      LYS  86  76.836  -2.032  11.217
  647   1HD   LYS  86           HD2      LYS  86  75.752  -0.341  12.870
  648   2HD   LYS  86           HD1      LYS  86  76.706  -1.171  14.101
  649   1HE   LYS  86           HE2      LYS  86  78.364   0.283  13.491
  650   2HE   LYS  86           HE1      LYS  86  78.562  -0.781  12.083
  651   1HZ   LYS  86           HZ3      LYS  86  76.611   1.456  12.218
  652   2HZ   LYS  86           HZ2      LYS  86  78.139   1.576  11.484
  653   3HZ   LYS  86           HZ1      LYS  86  76.976   0.502  10.863
  654    H    ASP  87           HN       ASP  87  76.070  -6.527  12.160
  655    HA   ASP  87           HA       ASP  87  75.326  -6.873  14.927
  656   1HB   ASP  87           HB2      ASP  87  73.519  -8.593  14.417
  657   2HB   ASP  87           HB1      ASP  87  73.081  -6.923  14.051
  658    H    ASP  88           HN       ASP  88  77.619  -7.382  13.175
  659    HA   ASP  88           HA       ASP  88  77.891 -10.143  12.476
  660   1HB   ASP  88           HB2      ASP  88  79.427  -7.726  12.565
  661   2HB   ASP  88           HB1      ASP  88  80.385  -9.012  13.299
  662    H    SER  89           HN       SER  89  77.219 -11.534  14.171
  663    HA   SER  89           HA       SER  89  78.575 -11.242  16.816
  664   1HB   SER  89           HB2      SER  89  76.327 -13.100  16.007
  665   2HB   SER  89           HB1      SER  89  76.757 -12.576  17.632
  666    HG   SER  89           HG       SER  89  75.045 -11.335  16.964
   
  No H/Q in entry =         666
  Start of MODEL   21
    1   1H    MET   1           HT1      MET   1  92.757   5.328   0.970
    2   2H    MET   1           HT3      MET   1  93.249   3.719   1.185
    3   3H    MET   1           HT2      MET   1  93.377   4.447  -0.344
    4    HA   MET   1           HA       MET   1  91.041   4.478  -0.651
    5   1HB   MET   1           HB2      MET   1  92.635   2.176  -0.123
    6   2HB   MET   1           HB1      MET   1  91.017   1.841   0.495
    7   1HG   MET   1           HG2      MET   1  90.087   2.616  -1.706
    8   2HG   MET   1           HG1      MET   1  91.740   2.739  -2.308
    9   1HE   MET   1           HE1      MET   1  89.936   1.581  -3.760
   10   2HE   MET   1           HE3      MET   1  90.667   0.067  -4.310
   11   3HE   MET   1           HE2      MET   1  89.177   0.038  -3.372
   12    H    ASP   2           HN       ASP   2  89.510   5.565   0.557
   13    HA   ASP   2           HA       ASP   2  89.014   4.654   3.368
   14   1HB   ASP   2           HB2      ASP   2  89.691   7.071   2.653
   15   2HB   ASP   2           HB1      ASP   2  88.024   7.199   2.089
   16    H    ASP   3           HN       ASP   3  87.796   2.830   2.065
   17    HA   ASP   3           HA       ASP   3  84.948   3.696   1.812
   18   1HB   ASP   3           HB2      ASP   3  86.576   2.053  -0.153
   19   2HB   ASP   3           HB1      ASP   3  84.833   2.294  -0.264
   20    H    ILE   4           HN       ILE   4  83.749   2.388   3.127
   21    HA   ILE   4           HA       ILE   4  84.730  -0.406   3.621
   22    HB   ILE   4           HB       ILE   4  83.991  -0.128   5.887
   23   1HG1  ILE   4          HG12      ILE   4  82.810   2.537   5.046
   24   2HG1  ILE   4          HG11      ILE   4  81.867   1.062   5.261
   25   1HG2  ILE   4          HG21      ILE   4  85.252   2.466   4.946
   26   2HG2  ILE   4          HG23      ILE   4  85.245   1.877   6.608
   27   3HG2  ILE   4          HG22      ILE   4  86.124   0.991   5.362
   28   1HD1  ILE   4          HD11      ILE   4  83.055   1.012   7.618
   29   2HD1  ILE   4          HD13      ILE   4  83.259   2.738   7.323
   30   3HD1  ILE   4          HD12      ILE   4  81.642   2.035   7.363
   31    H    TYR   5           HN       TYR   5  82.065   1.648   2.719
   32    HA   TYR   5           HA       TYR   5  79.970  -0.338   3.174
   33   1HB   TYR   5           HB2      TYR   5  80.036   2.181   1.480
   34   2HB   TYR   5           HB1      TYR   5  78.590   1.355   2.060
   35    HD1  TYR   5           HD1      TYR   5  78.146   1.218   4.537
   36    HD2  TYR   5           HD2      TYR   5  81.257   3.675   2.885
   37    HE1  TYR   5           HE1      TYR   5  78.265   2.493   6.660
   38    HE2  TYR   5           HE2      TYR   5  81.377   4.951   5.008
   39    HH   TYR   5           HH       TYR   5  79.037   4.913   7.307
   40    H    LYS   6           HN       LYS   6  82.091   0.571   0.511
   41    HA   LYS   6           HA       LYS   6  80.790  -0.464  -1.732
   42   1HB   LYS   6           HB2      LYS   6  83.117   0.637  -1.375
   43   2HB   LYS   6           HB1      LYS   6  83.696  -1.010  -1.124
   44   1HG   LYS   6           HG2      LYS   6  83.018  -1.684  -3.317
   45   2HG   LYS   6           HG1      LYS   6  82.096  -0.200  -3.559
   46   1HD   LYS   6           HD2      LYS   6  83.929   0.711  -4.494
   47   2HD   LYS   6           HD1      LYS   6  84.711   0.629  -2.915
   48   1HE   LYS   6           HE2      LYS   6  85.666  -1.521  -3.394
   49   2HE   LYS   6           HE1      LYS   6  84.664  -1.710  -4.846
   50   1HZ   LYS   6           HZ1      LYS   6  85.758   0.622  -5.376
   51   2HZ   LYS   6           HZ3      LYS   6  87.003  -0.013  -4.416
   52   3HZ   LYS   6           HZ2      LYS   6  86.506  -0.839  -5.815
   53    H    ALA   7           HN       ALA   7  82.717  -2.284   0.670
   54    HA   ALA   7           HA       ALA   7  82.401  -4.856  -0.580
   55   1HB   ALA   7           HB3      ALA   7  83.087  -3.814   2.167
   56   2HB   ALA   7           HB2      ALA   7  82.957  -5.548   1.873
   57   3HB   ALA   7           HB1      ALA   7  84.146  -4.590   0.990
   58    H    ALA   8           HN       ALA   8  80.350  -2.944   1.527
   59    HA   ALA   8           HA       ALA   8  78.674  -4.869   2.695
   60   1HB   ALA   8           HB1      ALA   8  78.793  -2.153   2.498
   61   2HB   ALA   8           HB3      ALA   8  77.380  -2.484   1.495
   62   3HB   ALA   8           HB2      ALA   8  77.412  -3.016   3.177
   63    H    VAL   9           HN       VAL   9  78.353  -3.376  -0.546
   64    HA   VAL   9           HA       VAL   9  76.068  -5.009  -1.296
   65    HB   VAL   9           HB       VAL   9  78.058  -3.396  -2.927
   66   1HG1  VAL   9          HG12      VAL   9  75.412  -4.689  -3.533
   67   2HG1  VAL   9          HG11      VAL   9  75.882  -3.217  -4.382
   68   3HG1  VAL   9          HG13      VAL   9  76.883  -4.663  -4.504
   69   1HG2  VAL   9          HG21      VAL   9  75.618  -2.701  -1.325
   70   2HG2  VAL   9          HG23      VAL   9  77.133  -1.813  -1.494
   71   3HG2  VAL   9          HG22      VAL   9  75.950  -1.796  -2.803
   72    H    GLU  10           HN       GLU  10  79.563  -5.321  -1.553
   73    HA   GLU  10           HA       GLU  10  79.583  -7.410  -3.559
   74   1HB   GLU  10           HB2      GLU  10  81.388  -5.768  -2.204
   75   2HB   GLU  10           HB1      GLU  10  81.789  -7.391  -1.642
   76   1HG   GLU  10           HG2      GLU  10  81.522  -6.571  -4.550
   77   2HG   GLU  10           HG1      GLU  10  83.048  -6.799  -3.696
   78    H    GLN  11           HN       GLN  11  79.519  -7.382  -0.002
   79    HA   GLN  11           HA       GLN  11  80.011 -10.101   0.545
   80   1HB   GLN  11           HB2      GLN  11  78.556  -7.820   1.771
   81   2HB   GLN  11           HB1      GLN  11  78.139  -9.417   2.394
   82   1HG   GLN  11           HG2      GLN  11  80.841  -9.631   2.323
   83   2HG   GLN  11           HG1      GLN  11  80.678  -7.902   2.628
   84   1HE2  GLN  11          HE22      GLN  11  80.047  -8.484   6.031
   85   2HE2  GLN  11          HE21      GLN  11  80.755  -7.506   4.838
   86    H    LEU  12           HN       LEU  12  77.138  -8.560  -0.781
   87    HA   LEU  12           HA       LEU  12  75.307 -10.751  -0.351
   88   1HB   LEU  12           HB2      LEU  12  75.432  -8.422  -2.288
   89   2HB   LEU  12           HB1      LEU  12  74.034  -9.489  -2.151
   90    HG   LEU  12           HG       LEU  12  75.219  -7.793   0.066
   91   1HD1  LEU  12          HD11      LEU  12  73.782  -6.722  -1.790
   92   2HD1  LEU  12          HD13      LEU  12  72.444  -7.657  -1.122
   93   3HD1  LEU  12          HD12      LEU  12  73.265  -6.457  -0.124
   94   1HD2  LEU  12          HD21      LEU  12  73.346 -10.091   0.037
   95   2HD2  LEU  12          HD23      LEU  12  74.363  -9.486   1.344
   96   3HD2  LEU  12          HD22      LEU  12  72.823  -8.702   0.990
   97    H    THR  13           HN       THR  13  74.781 -12.465  -1.752
   98    HA   THR  13           HA       THR  13  76.815 -13.127  -3.804
   99    HB   THR  13           HB       THR  13  75.583 -15.327  -3.713
  100    HG1  THR  13           HG1      THR  13  74.169 -15.220  -1.658
  101   1HG2  THR  13          HG21      THR  13  76.875 -13.971  -1.412
  102   2HG2  THR  13          HG23      THR  13  76.018 -15.469  -1.050
  103   3HG2  THR  13          HG22      THR  13  77.324 -15.464  -2.236
  104    H    GLU  14           HN       GLU  14  75.534 -14.506  -5.695
  105    HA   GLU  14           HA       GLU  14  74.170 -12.510  -7.280
  106   1HB   GLU  14           HB2      GLU  14  75.499 -14.179  -8.355
  107   2HB   GLU  14           HB1      GLU  14  74.677 -15.485  -7.501
  108   1HG   GLU  14           HG2      GLU  14  72.623 -15.072  -8.722
  109   2HG   GLU  14           HG1      GLU  14  73.312 -13.632  -9.472
  110    H    GLU  15           HN       GLU  15  73.060 -15.483  -5.624
  111    HA   GLU  15           HA       GLU  15  70.295 -15.232  -6.382
  112   1HB   GLU  15           HB2      GLU  15  70.043 -16.842  -4.432
  113   2HB   GLU  15           HB1      GLU  15  71.242 -17.325  -5.634
  114   1HG   GLU  15           HG2      GLU  15  72.582 -15.655  -3.773
  115   2HG   GLU  15           HG1      GLU  15  71.628 -16.802  -2.832
  116    H    GLN  16           HN       GLN  16  72.230 -13.792  -3.831
  117    HA   GLN  16           HA       GLN  16  69.952 -12.921  -2.216
  118   1HB   GLN  16           HB2      GLN  16  72.914 -12.739  -2.253
  119   2HB   GLN  16           HB1      GLN  16  72.084 -11.412  -1.440
  120   1HG   GLN  16           HG2      GLN  16  70.701 -13.341  -0.309
  121   2HG   GLN  16           HG1      GLN  16  72.084 -14.337  -0.763
  122   1HE2  GLN  16          HE22      GLN  16  72.674 -11.311   1.968
  123   2HE2  GLN  16          HE21      GLN  16  71.406 -11.175   0.848
  124    H    LYS  17           HN       LYS  17  72.254 -11.313  -4.441
  125    HA   LYS  17           HA       LYS  17  71.268  -8.674  -4.275
  126   1HB   LYS  17           HB2      LYS  17  73.260  -9.866  -5.554
  127   2HB   LYS  17           HB1      LYS  17  72.110  -9.882  -6.891
  128   1HG   LYS  17           HG2      LYS  17  72.881  -7.786  -7.305
  129   2HG   LYS  17           HG1      LYS  17  71.835  -7.315  -5.965
  130   1HD   LYS  17           HD2      LYS  17  73.814  -6.441  -5.176
  131   2HD   LYS  17           HD1      LYS  17  73.981  -8.080  -4.547
  132   1HE   LYS  17           HE2      LYS  17  75.132  -8.631  -6.803
  133   2HE   LYS  17           HE1      LYS  17  75.285  -6.873  -6.992
  134   1HZ   LYS  17           HZ1      LYS  17  76.093  -8.335  -4.539
  135   2HZ   LYS  17           HZ3      LYS  17  77.174  -7.944  -5.785
  136   3HZ   LYS  17           HZ2      LYS  17  76.398  -6.708  -4.916
  137    H    ASN  18           HN       ASN  18  70.132 -11.390  -6.285
  138    HA   ASN  18           HA       ASN  18  68.200  -9.935  -7.815
  139   1HB   ASN  18           HB2      ASN  18  68.807 -12.055  -8.606
  140   2HB   ASN  18           HB1      ASN  18  68.718 -12.783  -7.004
  141   1HD2  ASN  18          HD22      ASN  18  65.597 -14.102  -7.997
  142   2HD2  ASN  18          HD21      ASN  18  67.191 -14.440  -7.529
  143    H    GLU  19           HN       GLU  19  68.080 -11.422  -4.606
  144    HA   GLU  19           HA       GLU  19  65.283 -11.448  -4.162
  145   1HB   GLU  19           HB2      GLU  19  67.562 -12.058  -2.789
  146   2HB   GLU  19           HB1      GLU  19  67.041 -10.608  -1.930
  147   1HG   GLU  19           HG2      GLU  19  64.845 -11.582  -1.525
  148   2HG   GLU  19           HG1      GLU  19  65.262 -12.999  -2.490
  149    H    PHE  20           HN       PHE  20  67.614  -8.877  -3.245
  150    HA   PHE  20           HA       PHE  20  65.678  -6.980  -2.367
  151   1HB   PHE  20           HB2      PHE  20  68.527  -7.058  -3.204
  152   2HB   PHE  20           HB1      PHE  20  67.762  -5.469  -3.238
  153    HD1  PHE  20           HD1      PHE  20  65.825  -5.664  -1.028
  154    HD2  PHE  20           HD2      PHE  20  69.885  -7.047  -1.273
  155    HE1  PHE  20           HE1      PHE  20  66.027  -5.508   1.439
  156    HE2  PHE  20           HE2      PHE  20  70.086  -6.892   1.195
  157    HZ   PHE  20           HZ       PHE  20  68.158  -6.122   2.550
  158    H    LYS  21           HN       LYS  21  67.014  -7.641  -5.592
  159    HA   LYS  21           HA       LYS  21  66.040  -5.358  -6.972
  160   1HB   LYS  21           HB2      LYS  21  67.631  -7.101  -7.799
  161   2HB   LYS  21           HB1      LYS  21  66.283  -8.231  -7.923
  162   1HG   LYS  21           HG2      LYS  21  65.198  -6.884  -9.592
  163   2HG   LYS  21           HG1      LYS  21  66.328  -5.554  -9.336
  164   1HD   LYS  21           HD2      LYS  21  67.811  -6.448 -10.774
  165   2HD   LYS  21           HD1      LYS  21  67.755  -8.004  -9.944
  166   1HE   LYS  21           HE2      LYS  21  65.612  -7.089 -11.893
  167   2HE   LYS  21           HE1      LYS  21  66.987  -8.114 -12.353
  168   1HZ   LYS  21           HZ1      LYS  21  66.368  -9.658 -10.587
  169   2HZ   LYS  21           HZ3      LYS  21  65.028  -8.696 -10.193
  170   3HZ   LYS  21           HZ2      LYS  21  65.099  -9.475 -11.701
  171    H    ALA  22           HN       ALA  22  64.450  -8.463  -6.235
  172    HA   ALA  22           HA       ALA  22  62.028  -7.912  -7.705
  173   1HB   ALA  22           HB1      ALA  22  62.963 -10.136  -6.935
  174   2HB   ALA  22           HB3      ALA  22  62.457  -9.709  -5.301
  175   3HB   ALA  22           HB2      ALA  22  61.253  -9.906  -6.575
  176    H    ALA  23           HN       ALA  23  63.254  -6.517  -4.877
  177    HA   ALA  23           HA       ALA  23  60.493  -5.809  -3.931
  178   1HB   ALA  23           HB3      ALA  23  61.872  -7.171  -2.384
  179   2HB   ALA  23           HB2      ALA  23  63.132  -5.938  -2.435
  180   3HB   ALA  23           HB1      ALA  23  61.562  -5.566  -1.721
  181    H    PHE  24           HN       PHE  24  63.203  -4.616  -5.517
  182    HA   PHE  24           HA       PHE  24  62.745  -1.828  -4.512
  183   1HB   PHE  24           HB2      PHE  24  65.003  -2.671  -4.199
  184   2HB   PHE  24           HB1      PHE  24  65.082  -3.200  -5.879
  185    HD1  PHE  24           HD2      PHE  24  64.779  -1.387  -7.708
  186    HD2  PHE  24           HD1      PHE  24  65.709  -0.507  -3.608
  187    HE1  PHE  24           HE2      PHE  24  65.616   0.849  -8.379
  188    HE2  PHE  24           HE1      PHE  24  66.547   1.729  -4.278
  189    HZ   PHE  24           HZ       PHE  24  66.501   2.407  -6.663
  190    H    ASP  25           HN       ASP  25  63.328  -3.730  -7.488
  191    HA   ASP  25           HA       ASP  25  62.863  -1.593  -9.342
  192   1HB   ASP  25           HB2      ASP  25  63.981  -3.768  -9.807
  193   2HB   ASP  25           HB1      ASP  25  62.431  -4.587  -9.611
  194    H    ILE  26           HN       ILE  26  60.691  -3.630  -7.501
  195    HA   ILE  26           HA       ILE  26  58.340  -3.315  -9.139
  196    HB   ILE  26           HB       ILE  26  58.713  -3.835  -6.174
  197   1HG1  ILE  26          HG12      ILE  26  58.643  -5.595  -8.632
  198   2HG1  ILE  26          HG11      ILE  26  59.869  -5.539  -7.366
  199   1HG2  ILE  26          HG21      ILE  26  56.409  -3.122  -6.810
  200   2HG2  ILE  26          HG23      ILE  26  56.357  -4.427  -7.994
  201   3HG2  ILE  26          HG22      ILE  26  56.465  -4.800  -6.273
  202   1HD1  ILE  26          HD11      ILE  26  57.967  -6.268  -5.769
  203   2HD1  ILE  26          HD13      ILE  26  57.091  -6.703  -7.236
  204   3HD1  ILE  26          HD12      ILE  26  58.627  -7.485  -6.863
  205    H    PHE  27           HN       PHE  27  59.977  -1.189  -6.930
  206    HA   PHE  27           HA       PHE  27  57.636   0.689  -7.048
  207   1HB   PHE  27           HB2      PHE  27  59.598   0.016  -4.843
  208   2HB   PHE  27           HB1      PHE  27  58.590   1.463  -4.794
  209    HD1  PHE  27           HD1      PHE  27  58.398  -2.250  -5.212
  210    HD2  PHE  27           HD2      PHE  27  56.380   1.344  -4.008
  211    HE1  PHE  27           HE1      PHE  27  56.496  -3.601  -4.370
  212    HE2  PHE  27           HE2      PHE  27  54.477  -0.007  -3.165
  213    HZ   PHE  27           HZ       PHE  27  54.536  -2.480  -3.347
  214    H    VAL  28           HN       VAL  28  59.877   0.566  -8.944
  215    HA   VAL  28           HA       VAL  28  61.710   2.730  -8.206
  216    HB   VAL  28           HB       VAL  28  61.231   0.965 -10.602
  217   1HG1  VAL  28          HG11      VAL  28  63.085   3.348 -10.376
  218   2HG1  VAL  28          HG13      VAL  28  63.295   2.075 -11.578
  219   3HG1  VAL  28          HG12      VAL  28  61.839   3.071 -11.592
  220   1HG2  VAL  28          HG21      VAL  28  62.472   0.142  -8.566
  221   2HG2  VAL  28          HG23      VAL  28  63.429   0.109 -10.047
  222   3HG2  VAL  28          HG22      VAL  28  63.679   1.393  -8.863
  223    H    LEU  29           HN       LEU  29  58.602   2.545  -9.446
  224    HA   LEU  29           HA       LEU  29  57.274   4.033 -10.772
  225   1HB   LEU  29           HB2      LEU  29  58.429   5.119  -8.338
  226   2HB   LEU  29           HB1      LEU  29  58.060   6.406  -9.486
  227    HG   LEU  29           HG       LEU  29  55.851   4.712  -9.645
  228   1HD1  LEU  29          HD13      LEU  29  56.789   3.635  -7.541
  229   2HD1  LEU  29          HD12      LEU  29  56.512   5.174  -6.726
  230   3HD1  LEU  29          HD11      LEU  29  55.152   4.271  -7.391
  231   1HD2  LEU  29          HD23      LEU  29  55.973   7.232  -9.643
  232   2HD2  LEU  29          HD22      LEU  29  54.668   6.581  -8.652
  233   3HD2  LEU  29          HD21      LEU  29  56.145   7.168  -7.890
  234    H    GLY  30           HN       GLY  30  59.216   3.552 -12.521
  235   1HA   GLY  30           HA2      GLY  30  60.370   4.490 -14.339
  236   2HA   GLY  30           HA1      GLY  30  59.589   6.021 -13.933
  237    H    ALA  31           HN       ALA  31  60.646   7.436 -12.419
  238    HA   ALA  31           HA       ALA  31  62.518   8.439 -11.410
  239   1HB   ALA  31           HB2      ALA  31  62.236   6.086 -10.283
  240   2HB   ALA  31           HB1      ALA  31  63.686   5.674 -11.198
  241   3HB   ALA  31           HB3      ALA  31  63.727   6.987 -10.022
  242    H    GLU  32           HN       GLU  32  64.868   8.787 -11.768
  243    HA   GLU  32           HA       GLU  32  65.697   9.256 -14.333
  244   1HB   GLU  32           HB2      GLU  32  66.982   9.934 -12.411
  245   2HB   GLU  32           HB1      GLU  32  67.266   8.257 -11.941
  246   1HG   GLU  32           HG2      GLU  32  68.917   7.957 -13.498
  247   2HG   GLU  32           HG1      GLU  32  68.137   9.009 -14.679
  248    H    ASP  33           HN       ASP  33  66.366   6.178 -12.601
  249    HA   ASP  33           HA       ASP  33  65.894   4.514 -14.877
  250   1HB   ASP  33           HB2      ASP  33  68.117   6.074 -15.196
  251   2HB   ASP  33           HB1      ASP  33  68.824   4.625 -14.481
  252    H    GLY  34           HN       GLY  34  64.979   3.598 -12.759
  253   1HA   GLY  34           HA2      GLY  34  65.145   1.551 -11.515
  254   2HA   GLY  34           HA1      GLY  34  66.898   1.606 -11.706
  255    H    CYS  35           HN       CYS  35  64.748   4.179 -10.511
  256    HA   CYS  35           HA       CYS  35  66.105   3.943  -7.846
  257   1HB   CYS  35           HB2      CYS  35  65.368   6.490  -9.320
  258   2HB   CYS  35           HB1      CYS  35  66.310   6.363  -7.836
  259    HG   CYS  35           HG       CYS  35  67.596   6.381 -10.421
  260    H    ILE  36           HN       ILE  36  64.748   4.422  -6.049
  261    HA   ILE  36           HA       ILE  36  61.833   4.664  -6.716
  262    HB   ILE  36           HB       ILE  36  61.485   3.406  -4.657
  263   1HG1  ILE  36          HG12      ILE  36  64.498   3.575  -4.323
  264   2HG1  ILE  36          HG11      ILE  36  63.318   4.469  -3.362
  265   1HG2  ILE  36          HG21      ILE  36  63.415   2.434  -6.706
  266   2HG2  ILE  36          HG23      ILE  36  63.251   1.458  -5.246
  267   3HG2  ILE  36          HG22      ILE  36  61.839   1.789  -6.249
  268   1HD1  ILE  36          HD12      ILE  36  62.510   1.751  -3.316
  269   2HD1  ILE  36          HD11      ILE  36  64.246   1.768  -3.003
  270   3HD1  ILE  36          HD13      ILE  36  63.155   2.703  -1.979
  271    H    SER  37           HN       SER  37  60.548   5.820  -4.986
  272    HA   SER  37           HA       SER  37  61.759   8.398  -4.370
  273   1HB   SER  37           HB2      SER  37  59.519   8.649  -4.793
  274   2HB   SER  37           HB1      SER  37  59.133   7.028  -4.224
  275    HG   SER  37           HG       SER  37  58.829   9.309  -2.945
  276    H    THR  38           HN       THR  38  62.116   9.246  -2.233
  277    HA   THR  38           HA       THR  38  63.229   7.401  -0.322
  278    HB   THR  38           HB       THR  38  63.088   9.625   1.077
  279    HG1  THR  38           HG1      THR  38  62.974  11.287  -0.810
  280   1HG2  THR  38          HG23      THR  38  64.613   9.220  -1.497
  281   2HG2  THR  38          HG22      THR  38  64.905  10.607  -0.448
  282   3HG2  THR  38          HG21      THR  38  65.177   8.972   0.155
  283    H    LYS  39           HN       LYS  39  60.037   8.811  -0.734
  284    HA   LYS  39           HA       LYS  39  59.127   8.118   1.970
  285   1HB   LYS  39           HB2      LYS  39  58.405  10.000   0.257
  286   2HB   LYS  39           HB1      LYS  39  57.339   8.738  -0.362
  287   1HG   LYS  39           HG2      LYS  39  56.022   9.817   1.270
  288   2HG   LYS  39           HG1      LYS  39  56.646   8.401   2.115
  289   1HD   LYS  39           HD2      LYS  39  57.196  10.003   3.674
  290   2HD   LYS  39           HD1      LYS  39  58.642  10.100   2.670
  291   1HE   LYS  39           HE2      LYS  39  56.381  11.771   1.737
  292   2HE   LYS  39           HE1      LYS  39  57.104  12.270   3.280
  293   1HZ   LYS  39           HZ1      LYS  39  59.312  11.785   2.059
  294   2HZ   LYS  39           HZ3      LYS  39  58.391  11.965   0.645
  295   3HZ   LYS  39           HZ2      LYS  39  58.510  13.250   1.751
  296    H    GLU  40           HN       GLU  40  59.586   6.412  -0.941
  297    HA   GLU  40           HA       GLU  40  57.376   4.494  -0.460
  298   1HB   GLU  40           HB2      GLU  40  59.566   4.644  -2.558
  299   2HB   GLU  40           HB1      GLU  40  58.162   3.577  -2.614
  300   1HG   GLU  40           HG2      GLU  40  58.001   6.603  -2.500
  301   2HG   GLU  40           HG1      GLU  40  57.868   5.655  -3.982
  302    H    LEU  41           HN       LEU  41  60.906   4.701  -0.243
  303    HA   LEU  41           HA       LEU  41  61.751   2.086   0.023
  304   1HB   LEU  41           HB2      LEU  41  62.869   4.448   0.415
  305   2HB   LEU  41           HB1      LEU  41  62.514   4.111   2.109
  306    HG   LEU  41           HG       LEU  41  64.215   2.473   0.217
  307   1HD1  LEU  41          HD12      LEU  41  65.009   4.536   1.678
  308   2HD1  LEU  41          HD11      LEU  41  64.972   3.350   2.982
  309   3HD1  LEU  41          HD13      LEU  41  66.001   3.081   1.575
  310   1HD2  LEU  41          HD23      LEU  41  62.962   1.765   2.872
  311   2HD2  LEU  41          HD22      LEU  41  62.988   0.818   1.384
  312   3HD2  LEU  41          HD21      LEU  41  64.460   1.003   2.337
  313    H    GLY  42           HN       GLY  42  59.766   3.908   2.314
  314   1HA   GLY  42           HA2      GLY  42  59.972   2.228   4.578
  315   2HA   GLY  42           HA1      GLY  42  58.538   3.175   4.176
  316    H    LYS  43           HN       LYS  43  57.285   2.145   2.200
  317    HA   LYS  43           HA       LYS  43  56.167  -0.317   2.987
  318   1HB   LYS  43           HB2      LYS  43  56.438   0.943   0.236
  319   2HB   LYS  43           HB1      LYS  43  55.274  -0.315   0.656
  320   1HG   LYS  43           HG2      LYS  43  55.426   2.315   2.143
  321   2HG   LYS  43           HG1      LYS  43  54.394   2.083   0.732
  322   1HD   LYS  43           HD2      LYS  43  53.274   0.192   1.864
  323   2HD   LYS  43           HD1      LYS  43  54.295   0.442   3.281
  324   1HE   LYS  43           HE2      LYS  43  52.763   1.931   4.037
  325   2HE   LYS  43           HE1      LYS  43  53.166   2.973   2.657
  326   1HZ   LYS  43           HZ2      LYS  43  51.429   0.626   2.270
  327   2HZ   LYS  43           HZ1      LYS  43  50.765   2.064   2.882
  328   3HZ   LYS  43           HZ3      LYS  43  51.513   2.059   1.360
  329    H    VAL  44           HN       VAL  44  59.046   0.331   1.073
  330    HA   VAL  44           HA       VAL  44  59.339  -2.355   0.006
  331    HB   VAL  44           HB       VAL  44  61.001   0.141   0.285
  332   1HG1  VAL  44          HG12      VAL  44  61.967  -2.630  -0.276
  333   2HG1  VAL  44          HG11      VAL  44  62.627  -1.320  -1.253
  334   3HG1  VAL  44          HG13      VAL  44  62.803  -1.285   0.501
  335   1HG2  VAL  44          HG22      VAL  44  59.260  -0.165  -1.512
  336   2HG2  VAL  44          HG21      VAL  44  60.887   0.109  -2.135
  337   3HG2  VAL  44          HG23      VAL  44  60.209  -1.519  -2.125
  338    H    MET  45           HN       MET  45  60.484  -0.658   2.905
  339    HA   MET  45           HA       MET  45  62.339  -2.707   3.759
  340   1HB   MET  45           HB2      MET  45  60.987  -0.283   4.881
  341   2HB   MET  45           HB1      MET  45  61.771  -1.390   6.009
  342   1HG   MET  45           HG2      MET  45  63.140  -0.251   3.559
  343   2HG   MET  45           HG1      MET  45  63.270   0.457   5.169
  344   1HE   MET  45           HE2      MET  45  65.534   0.458   4.817
  345   2HE   MET  45           HE1      MET  45  65.712  -0.205   6.438
  346   3HE   MET  45           HE3      MET  45  66.672  -0.855   5.104
  347    H    ARG  46           HN       ARG  46  59.018  -1.871   4.837
  348    HA   ARG  46           HA       ARG  46  58.698  -3.993   6.700
  349   1HB   ARG  46           HB2      ARG  46  56.378  -3.395   6.573
  350   2HB   ARG  46           HB1      ARG  46  57.278  -1.912   6.258
  351   1HG   ARG  46           HG2      ARG  46  57.025  -2.287   3.821
  352   2HG   ARG  46           HG1      ARG  46  56.083  -3.741   4.155
  353   1HD   ARG  46           HD2      ARG  46  54.673  -1.681   3.695
  354   2HD   ARG  46           HD1      ARG  46  54.358  -2.422   5.278
  355    HE   ARG  46           HE       ARG  46  56.482  -0.405   5.318
  356   1HH1  ARG  46          HH11      ARG  46  53.905  -1.445   7.034
  357   2HH1  ARG  46          HH12      ARG  46  53.206   0.108   7.346
  358   1HH2  ARG  46          HH21      ARG  46  55.245   1.773   5.090
  359   2HH2  ARG  46          HH22      ARG  46  53.965   1.931   6.246
  360    H    MET  47           HN       MET  47  58.763  -4.040   3.234
  361    HA   MET  47           HA       MET  47  57.171  -6.426   2.820
  362   1HB   MET  47           HB2      MET  47  59.024  -4.647   1.318
  363   2HB   MET  47           HB1      MET  47  58.818  -6.277   0.672
  364   1HG   MET  47           HG2      MET  47  56.331  -4.886   1.500
  365   2HG   MET  47           HG1      MET  47  57.143  -4.234   0.078
  366   1HE   MET  47           HE3      MET  47  57.361  -5.122  -2.013
  367   2HE   MET  47           HE2      MET  47  58.390  -6.486  -1.584
  368   3HE   MET  47           HE1      MET  47  56.974  -6.744  -2.601
  369    H    LEU  48           HN       LEU  48  60.603  -5.801   3.451
  370    HA   LEU  48           HA       LEU  48  61.372  -8.607   3.021
  371   1HB   LEU  48           HB2      LEU  48  62.747  -6.108   4.046
  372   2HB   LEU  48           HB1      LEU  48  63.573  -7.658   3.881
  373    HG   LEU  48           HG       LEU  48  62.070  -6.959   1.478
  374   1HD1  LEU  48          HD13      LEU  48  64.233  -5.083   2.475
  375   2HD1  LEU  48          HD12      LEU  48  63.699  -5.156   0.796
  376   3HD1  LEU  48          HD11      LEU  48  62.571  -4.665   2.060
  377   1HD2  LEU  48          HD21      LEU  48  64.460  -8.309   2.294
  378   2HD2  LEU  48          HD23      LEU  48  63.692  -8.318   0.707
  379   3HD2  LEU  48          HD22      LEU  48  64.899  -7.093   1.095
  380    H    GLY  49           HN       GLY  49  60.406  -6.556   5.695
  381   1HA   GLY  49           HA2      GLY  49  59.515  -8.077   7.605
  382   2HA   GLY  49           HA1      GLY  49  61.164  -8.705   7.624
  383    H    GLN  50           HN       GLN  50  62.096  -5.872   6.907
  384    HA   GLN  50           HA       GLN  50  62.643  -5.004   9.613
  385   1HB   GLN  50           HB2      GLN  50  63.121  -4.056   6.808
  386   2HB   GLN  50           HB1      GLN  50  63.416  -2.933   8.136
  387   1HG   GLN  50           HG2      GLN  50  64.578  -5.329   8.988
  388   2HG   GLN  50           HG1      GLN  50  64.997  -5.223   7.278
  389   1HE2  GLN  50          HE22      GLN  50  66.943  -2.220   7.694
  390   2HE2  GLN  50          HE21      GLN  50  65.979  -3.055   6.573
  391    H    ASN  51           HN       ASN  51  61.552  -3.480  10.837
  392    HA   ASN  51           HA       ASN  51  59.270  -2.038   9.523
  393   1HB   ASN  51           HB2      ASN  51  59.551  -3.482  12.160
  394   2HB   ASN  51           HB1      ASN  51  58.287  -2.275  11.914
  395   1HD2  ASN  51          HD22      ASN  51  58.125  -5.725   9.666
  396   2HD2  ASN  51          HD21      ASN  51  59.634  -5.161  10.199
  397    HA   PRO  52           HA       PRO  52  62.277   0.782  11.822
  398   1HB   PRO  52           HB2      PRO  52  63.288   2.103   9.648
  399   2HB   PRO  52           HB1      PRO  52  64.023   0.631  10.313
  400   1HG   PRO  52           HG2      PRO  52  62.265   0.960   7.937
  401   2HG   PRO  52           HG1      PRO  52  63.662  -0.102   8.171
  402   1HD   PRO  52           HD2      PRO  52  61.067  -0.950   8.318
  403   2HD   PRO  52           HD1      PRO  52  62.413  -1.735   9.171
  404    H    THR  53           HN       THR  53  61.601   2.886  12.347
  405    HA   THR  53           HA       THR  53  59.027   3.795  11.511
  406    HB   THR  53           HB       THR  53  61.031   5.738  12.541
  407    HG1  THR  53           HG1      THR  53  60.592   4.422  14.627
  408   1HG2  THR  53          HG21      THR  53  58.206   4.905  13.053
  409   2HG2  THR  53          HG23      THR  53  59.093   5.697  14.356
  410   3HG2  THR  53          HG22      THR  53  58.871   6.520  12.811
  411    HA   PRO  54           HA       PRO  54  59.989   5.838   7.732
  412   1HB   PRO  54           HB2      PRO  54  57.910   7.620   7.662
  413   2HB   PRO  54           HB1      PRO  54  57.709   5.887   7.338
  414   1HG   PRO  54           HG2      PRO  54  57.121   7.427   9.815
  415   2HG   PRO  54           HG1      PRO  54  56.222   6.095   9.073
  416   1HD   PRO  54           HD2      PRO  54  57.861   5.787  11.230
  417   2HD   PRO  54           HD1      PRO  54  57.527   4.492  10.058
  418    H    GLU  55           HN       GLU  55  59.272   7.809  10.607
  419    HA   GLU  55           HA       GLU  55  60.299  10.302   9.677
  420   1HB   GLU  55           HB2      GLU  55  58.960  10.092  11.684
  421   2HB   GLU  55           HB1      GLU  55  60.138   8.997  12.410
  422   1HG   GLU  55           HG2      GLU  55  61.298  10.738  13.231
  423   2HG   GLU  55           HG1      GLU  55  61.475  11.413  11.610
  424    H    GLU  56           HN       GLU  56  61.902   7.447  11.016
  425    HA   GLU  56           HA       GLU  56  64.488   8.710  11.406
  426   1HB   GLU  56           HB2      GLU  56  63.164   6.171  11.785
  427   2HB   GLU  56           HB1      GLU  56  64.739   5.912  11.032
  428   1HG   GLU  56           HG2      GLU  56  65.515   6.041  13.170
  429   2HG   GLU  56           HG1      GLU  56  65.374   7.780  12.917
  430    H    LEU  57           HN       LEU  57  63.148   6.552   8.877
  431    HA   LEU  57           HA       LEU  57  65.345   6.223   7.207
  432   1HB   LEU  57           HB2      LEU  57  62.423   6.770   6.621
  433   2HB   LEU  57           HB1      LEU  57  63.563   6.264   5.374
  434    HG   LEU  57           HG       LEU  57  63.512   4.663   7.887
  435   1HD1  LEU  57          HD12      LEU  57  61.139   5.179   6.320
  436   2HD1  LEU  57          HD11      LEU  57  61.606   3.485   6.167
  437   3HD1  LEU  57          HD13      LEU  57  61.316   4.180   7.761
  438   1HD2  LEU  57          HD23      LEU  57  63.870   4.177   4.924
  439   2HD2  LEU  57          HD22      LEU  57  65.049   3.950   6.216
  440   3HD2  LEU  57          HD21      LEU  57  63.681   2.847   6.065
  441    H    GLN  58           HN       GLN  58  63.508   9.159   7.781
  442    HA   GLN  58           HA       GLN  58  64.373  10.660   5.485
  443   1HB   GLN  58           HB2      GLN  58  62.741  10.957   7.761
  444   2HB   GLN  58           HB1      GLN  58  63.956  12.229   7.895
  445   1HG   GLN  58           HG2      GLN  58  62.241  11.693   5.451
  446   2HG   GLN  58           HG1      GLN  58  61.996  13.004   6.604
  447   1HE2  GLN  58          HE22      GLN  58  64.174  14.054   3.626
  448   2HE2  GLN  58          HE21      GLN  58  62.732  13.159   3.671
  449    H    GLU  59           HN       GLU  59  65.631  10.491   8.835
  450    HA   GLU  59           HA       GLU  59  67.702  12.335   8.761
  451   1HB   GLU  59           HB2      GLU  59  67.039  10.884  10.666
  452   2HB   GLU  59           HB1      GLU  59  67.777   9.502   9.854
  453   1HG   GLU  59           HG2      GLU  59  69.564  10.131  11.163
  454   2HG   GLU  59           HG1      GLU  59  69.873  11.166   9.770
  455    H    MET  60           HN       MET  60  68.412   8.877   8.166
  456    HA   MET  60           HA       MET  60  70.902   9.124   6.966
  457   1HB   MET  60           HB2      MET  60  68.679   7.236   7.027
  458   2HB   MET  60           HB1      MET  60  69.572   7.137   5.509
  459   1HG   MET  60           HG2      MET  60  70.959   5.778   6.708
  460   2HG   MET  60           HG1      MET  60  71.631   7.305   7.280
  461   1HE   MET  60           HE3      MET  60  68.820   4.948   7.529
  462   2HE   MET  60           HE2      MET  60  69.834   3.948   8.564
  463   3HE   MET  60           HE1      MET  60  68.416   4.746   9.240
  464    H    ILE  61           HN       ILE  61  67.825   8.952   5.119
  465    HA   ILE  61           HA       ILE  61  68.789   9.509   2.558
  466    HB   ILE  61           HB       ILE  61  66.262  10.259   4.039
  467   1HG1  ILE  61          HG12      ILE  61  66.640   8.314   1.757
  468   2HG1  ILE  61          HG11      ILE  61  66.944   7.842   3.430
  469   1HG2  ILE  61          HG21      ILE  61  66.841  10.584   1.078
  470   2HG2  ILE  61          HG23      ILE  61  65.267  10.803   1.844
  471   3HG2  ILE  61          HG22      ILE  61  66.595  11.900   2.225
  472   1HD1  ILE  61          HD13      ILE  61  64.616   8.673   3.985
  473   2HD1  ILE  61          HD12      ILE  61  64.342   8.852   2.252
  474   3HD1  ILE  61          HD11      ILE  61  64.659   7.257   2.935
  475    H    ASP  62           HN       ASP  62  67.994  11.835   5.144
  476    HA   ASP  62           HA       ASP  62  68.452  14.218   3.602
  477   1HB   ASP  62           HB2      ASP  62  67.483  13.543   6.075
  478   2HB   ASP  62           HB1      ASP  62  69.045  14.245   6.498
  479    H    GLU  63           HN       GLU  63  70.611  11.856   4.824
  480    HA   GLU  63           HA       GLU  63  72.910  13.777   4.686
  481   1HB   GLU  63           HB2      GLU  63  72.418  11.166   6.139
  482   2HB   GLU  63           HB1      GLU  63  74.020  11.895   6.027
  483   1HG   GLU  63           HG2      GLU  63  72.808  14.051   6.895
  484   2HG   GLU  63           HG1      GLU  63  71.576  12.917   7.446
  485    H    VAL  64           HN       VAL  64  71.833  10.501   3.761
  486    HA   VAL  64           HA       VAL  64  74.183  10.072   2.050
  487    HB   VAL  64           HB       VAL  64  72.865   8.360   3.431
  488   1HG1  VAL  64          HG11      VAL  64  70.622   9.163   2.713
  489   2HG1  VAL  64          HG13      VAL  64  70.972   8.611   1.075
  490   3HG1  VAL  64          HG12      VAL  64  70.847   7.444   2.391
  491   1HG2  VAL  64          HG23      VAL  64  74.134   8.172   0.883
  492   2HG2  VAL  64          HG22      VAL  64  73.988   6.917   2.115
  493   3HG2  VAL  64          HG21      VAL  64  72.750   7.078   0.868
  494    H    ASP  65           HN       ASP  65  70.698  10.679   1.611
  495    HA   ASP  65           HA       ASP  65  70.774  10.605  -1.283
  496   1HB   ASP  65           HB2      ASP  65  68.844  10.402   0.504
  497   2HB   ASP  65           HB1      ASP  65  68.771  12.156   0.334
  498    H    GLU  66           HN       GLU  66  72.914  12.150  -0.866
  499    HA   GLU  66           HA       GLU  66  72.425  14.977  -0.544
  500   1HB   GLU  66           HB2      GLU  66  74.576  13.233  -0.687
  501   2HB   GLU  66           HB1      GLU  66  74.728  14.165  -2.176
  502   1HG   GLU  66           HG2      GLU  66  74.828  16.230  -0.997
  503   2HG   GLU  66           HG1      GLU  66  74.265  15.488   0.502
  504    H    ASP  67           HN       ASP  67  73.096  13.002  -3.465
  505    HA   ASP  67           HA       ASP  67  72.066  15.243  -5.150
  506   1HB   ASP  67           HB2      ASP  67  74.352  13.921  -5.344
  507   2HB   ASP  67           HB1      ASP  67  73.352  12.732  -6.180
  508    H    GLY  68           HN       GLY  68  71.060  12.295  -3.809
  509   1HA   GLY  68           HA2      GLY  68  69.541  11.136  -5.919
  510   2HA   GLY  68           HA1      GLY  68  69.181  10.945  -4.202
  511    H    SER  69           HN       SER  69  68.859  13.838  -3.760
  512    HA   SER  69           HA       SER  69  67.176  15.495  -3.924
  513   1HB   SER  69           HB2      SER  69  67.795  14.740  -6.460
  514   2HB   SER  69           HB1      SER  69  66.091  14.294  -6.415
  515    HG   SER  69           HG       SER  69  65.654  16.432  -5.699
  516    H    GLY  70           HN       GLY  70  66.690  12.921  -2.576
  517   1HA   GLY  70           HA2      GLY  70  64.732  12.237  -1.371
  518   2HA   GLY  70           HA1      GLY  70  63.735  13.027  -2.591
  519    H    THR  71           HN       THR  71  66.351  10.891  -3.507
  520    HA   THR  71           HA       THR  71  64.491   8.621  -3.944
  521    HB   THR  71           HB       THR  71  65.031   8.622  -6.372
  522    HG1  THR  71           HG1      THR  71  66.662   9.775  -6.954
  523   1HG2  THR  71          HG23      THR  71  63.023   9.823  -5.465
  524   2HG2  THR  71          HG22      THR  71  63.975  11.308  -5.453
  525   3HG2  THR  71          HG21      THR  71  63.623  10.497  -6.981
  526    H    VAL  72           HN       VAL  72  65.600   6.677  -3.857
  527    HA   VAL  72           HA       VAL  72  68.568   6.839  -3.549
  528    HB   VAL  72           HB       VAL  72  68.065   4.456  -2.571
  529   1HG1  VAL  72          HG11      VAL  72  67.648   7.162  -1.430
  530   2HG1  VAL  72          HG13      VAL  72  67.102   5.798  -0.454
  531   3HG1  VAL  72          HG12      VAL  72  68.789   5.898  -0.961
  532   1HG2  VAL  72          HG23      VAL  72  65.579   4.854  -3.489
  533   2HG2  VAL  72          HG22      VAL  72  65.889   3.923  -2.024
  534   3HG2  VAL  72          HG21      VAL  72  65.393   5.611  -1.908
  535    H    ASP  73           HN       ASP  73  69.895   5.289  -4.593
  536    HA   ASP  73           HA       ASP  73  68.664   4.017  -7.010
  537   1HB   ASP  73           HB2      ASP  73  71.569   4.709  -6.473
  538   2HB   ASP  73           HB1      ASP  73  70.821   4.354  -8.032
  539    H    PHE  74           HN       PHE  74  69.716   1.877  -7.591
  540    HA   PHE  74           HA       PHE  74  69.571  -0.073  -5.634
  541   1HB   PHE  74           HB2      PHE  74  70.117  -0.019  -8.258
  542   2HB   PHE  74           HB1      PHE  74  71.755  -0.292  -7.665
  543    HD1  PHE  74           HD1      PHE  74  68.414  -1.464  -6.438
  544    HD2  PHE  74           HD2      PHE  74  72.289  -2.547  -7.937
  545    HE1  PHE  74           HE1      PHE  74  67.884  -3.860  -6.072
  546    HE2  PHE  74           HE2      PHE  74  71.761  -4.943  -7.574
  547    HZ   PHE  74           HZ       PHE  74  69.558  -5.600  -6.642
  548    H    ASP  75           HN       ASP  75  72.190   2.191  -6.159
  549    HA   ASP  75           HA       ASP  75  74.125   0.763  -4.492
  550   1HB   ASP  75           HB2      ASP  75  74.205   2.679  -6.443
  551   2HB   ASP  75           HB1      ASP  75  74.415   3.665  -4.996
  552    H    GLU  76           HN       GLU  76  71.795   3.413  -4.042
  553    HA   GLU  76           HA       GLU  76  72.743   4.151  -1.399
  554   1HB   GLU  76           HB2      GLU  76  70.083   4.581  -2.799
  555   2HB   GLU  76           HB1      GLU  76  70.675   5.490  -1.408
  556   1HG   GLU  76           HG2      GLU  76  72.229   5.330  -3.995
  557   2HG   GLU  76           HG1      GLU  76  71.016   6.577  -3.709
  558    H    PHE  77           HN       PHE  77  69.736   2.489  -2.463
  559    HA   PHE  77           HA       PHE  77  68.716   1.749   0.025
  560   1HB   PHE  77           HB2      PHE  77  67.655   1.388  -2.185
  561   2HB   PHE  77           HB1      PHE  77  68.827   0.115  -2.533
  562    HD1  PHE  77           HD1      PHE  77  66.755   1.032   0.465
  563    HD2  PHE  77           HD2      PHE  77  67.879  -2.004  -2.360
  564    HE1  PHE  77           HE1      PHE  77  65.330  -0.608   1.662
  565    HE2  PHE  77           HE2      PHE  77  66.455  -3.644  -1.162
  566    HZ   PHE  77           HZ       PHE  77  65.180  -2.946   0.849
  567    H    LEU  78           HN       LEU  78  70.894  -0.295  -1.967
  568    HA   LEU  78           HA       LEU  78  71.326  -2.444  -0.289
  569   1HB   LEU  78           HB2      LEU  78  73.107  -0.819  -2.093
  570   2HB   LEU  78           HB1      LEU  78  73.770  -2.203  -1.223
  571    HG   LEU  78           HG       LEU  78  71.341  -2.288  -3.036
  572   1HD1  LEU  78          HD12      LEU  78  74.109  -2.269  -3.662
  573   2HD1  LEU  78          HD11      LEU  78  73.553  -3.930  -3.865
  574   3HD1  LEU  78          HD13      LEU  78  72.764  -2.621  -4.746
  575   1HD2  LEU  78          HD22      LEU  78  72.311  -4.046  -0.983
  576   2HD2  LEU  78          HD21      LEU  78  70.919  -4.266  -2.043
  577   3HD2  LEU  78          HD23      LEU  78  72.509  -4.838  -2.546
  578    H    VAL  79           HN       VAL  79  73.228   0.598  -0.150
  579    HA   VAL  79           HA       VAL  79  74.713  -0.065   2.195
  580    HB   VAL  79           HB       VAL  79  73.817   2.566   0.980
  581   1HG1  VAL  79          HG12      VAL  79  74.497   2.747   3.395
  582   2HG1  VAL  79          HG11      VAL  79  76.065   2.070   2.954
  583   3HG1  VAL  79          HG13      VAL  79  75.557   3.626   2.295
  584   1HG2  VAL  79          HG22      VAL  79  76.222   0.766   0.667
  585   2HG2  VAL  79          HG21      VAL  79  75.175   1.429  -0.589
  586   3HG2  VAL  79          HG23      VAL  79  76.306   2.481   0.261
  587    H    MET  80           HN       MET  80  71.780   1.977   1.860
  588    HA   MET  80           HA       MET  80  71.281   2.697   4.479
  589   1HB   MET  80           HB2      MET  80  69.656   1.955   2.101
  590   2HB   MET  80           HB1      MET  80  68.787   2.052   3.633
  591   1HG   MET  80           HG2      MET  80  70.362   4.309   3.722
  592   2HG   MET  80           HG1      MET  80  69.962   4.204   2.007
  593   1HE   MET  80           HE1      MET  80  68.640   5.367   1.197
  594   2HE   MET  80           HE3      MET  80  66.892   5.474   1.449
  595   3HE   MET  80           HE2      MET  80  67.969   6.640   2.213
  596    H    MET  81           HN       MET  81  70.519  -0.475   3.011
  597    HA   MET  81           HA       MET  81  69.343  -1.590   5.408
  598   1HB   MET  81           HB2      MET  81  69.852  -2.274   2.675
  599   2HB   MET  81           HB1      MET  81  70.458  -3.585   3.687
  600   1HG   MET  81           HG2      MET  81  67.715  -2.379   4.085
  601   2HG   MET  81           HG1      MET  81  67.997  -3.740   3.000
  602   1HE   MET  81           HE1      MET  81  66.873  -5.264   3.613
  603   2HE   MET  81           HE3      MET  81  67.397  -6.503   4.761
  604   3HE   MET  81           HE2      MET  81  66.143  -5.353   5.215
  605    H    VAL  82           HN       VAL  82  72.562  -1.975   3.880
  606    HA   VAL  82           HA       VAL  82  73.759  -3.753   5.678
  607    HB   VAL  82           HB       VAL  82  74.843  -1.312   4.240
  608   1HG1  VAL  82          HG13      VAL  82  76.132  -2.665   6.262
  609   2HG1  VAL  82          HG12      VAL  82  76.675  -3.539   4.829
  610   3HG1  VAL  82          HG11      VAL  82  76.942  -1.800   4.956
  611   1HG2  VAL  82          HG23      VAL  82  73.739  -3.367   3.040
  612   2HG2  VAL  82          HG22      VAL  82  75.287  -2.760   2.449
  613   3HG2  VAL  82          HG21      VAL  82  75.235  -4.196   3.473
  614    H    ARG  83           HN       ARG  83  72.919  -0.383   6.174
  615    HA   ARG  83           HA       ARG  83  74.595  -0.025   8.544
  616   1HB   ARG  83           HB2      ARG  83  73.431   1.616   6.749
  617   2HB   ARG  83           HB1      ARG  83  72.191   1.656   8.003
  618   1HG   ARG  83           HG2      ARG  83  73.813   2.367   9.663
  619   2HG   ARG  83           HG1      ARG  83  75.134   2.177   8.510
  620   1HD   ARG  83           HD2      ARG  83  73.258   3.858   7.231
  621   2HD   ARG  83           HD1      ARG  83  73.405   4.463   8.893
  622    HE   ARG  83           HE       ARG  83  76.009   4.014   8.288
  623   1HH1  ARG  83          HH21      ARG  83  73.689   6.274   7.424
  624   2HH1  ARG  83          HH22      ARG  83  74.614   7.002   6.153
  625   1HH2  ARG  83          HH11      ARG  83  77.121   4.609   6.247
  626   2HH2  ARG  83          HH12      ARG  83  76.558   6.059   5.488
  627    H    CYS  84           HN       CYS  84  71.145  -0.694   7.920
  628    HA   CYS  84           HA       CYS  84  70.296  -0.611  10.666
  629   1HB   CYS  84           HB2      CYS  84  69.192  -0.900   8.129
  630   2HB   CYS  84           HB1      CYS  84  68.867  -2.455   8.894
  631    HG   CYS  84           HG       CYS  84  67.785   0.286   9.888
  632    H    MET  85           HN       MET  85  70.739  -3.483   8.558
  633    HA   MET  85           HA       MET  85  70.704  -5.360  10.742
  634   1HB   MET  85           HB2      MET  85  71.433  -6.920   8.973
  635   2HB   MET  85           HB1      MET  85  70.165  -5.852   8.370
  636   1HG   MET  85           HG2      MET  85  72.367  -4.372   7.778
  637   2HG   MET  85           HG1      MET  85  73.026  -6.000   7.615
  638   1HE   MET  85           HE1      MET  85  73.141  -7.116   6.046
  639   2HE   MET  85           HE3      MET  85  71.916  -7.599   4.865
  640   3HE   MET  85           HE2      MET  85  73.026  -6.282   4.499
  641    H    LYS  86           HN       LYS  86  72.281  -5.144  12.324
  642    HA   LYS  86           HA       LYS  86  75.093  -4.602  11.497
  643   1HB   LYS  86           HB2      LYS  86  73.763  -4.753  14.223
  644   2HB   LYS  86           HB1      LYS  86  75.378  -4.126  13.889
  645   1HG   LYS  86           HG2      LYS  86  72.860  -2.988  12.649
  646   2HG   LYS  86           HG1      LYS  86  73.596  -2.347  14.118
  647   1HD   LYS  86           HD2      LYS  86  75.750  -2.521  12.398
  648   2HD   LYS  86           HD1      LYS  86  74.437  -2.037  11.324
  649   1HE   LYS  86           HE2      LYS  86  75.432  -0.008  12.217
  650   2HE   LYS  86           HE1      LYS  86  73.867  -0.222  13.025
  651   1HZ   LYS  86           HZ3      LYS  86  76.136  -1.608  14.206
  652   2HZ   LYS  86           HZ2      LYS  86  76.139   0.084  14.363
  653   3HZ   LYS  86           HZ1      LYS  86  74.835  -0.825  14.960
  654    H    ASP  87           HN       ASP  87  73.244  -7.278  11.723
  655    HA   ASP  87           HA       ASP  87  74.817  -9.005  13.445
  656   1HB   ASP  87           HB2      ASP  87  72.434  -9.344  12.817
  657   2HB   ASP  87           HB1      ASP  87  72.929  -9.610  11.143
  658    H    ASP  88           HN       ASP  88  74.696  -8.455   9.916
  659    HA   ASP  88           HA       ASP  88  76.284  -8.972   8.242
  660   1HB   ASP  88           HB2      ASP  88  77.607  -7.684  10.019
  661   2HB   ASP  88           HB1      ASP  88  78.175  -9.253  10.589
  662    H    SER  89           HN       SER  89  75.905 -10.978   7.348
  663    HA   SER  89           HA       SER  89  77.382 -13.297   8.294
  664   1HB   SER  89           HB2      SER  89  75.163 -12.799   9.739
  665   2HB   SER  89           HB1      SER  89  74.431 -13.718   8.427
  666    HG   SER  89           HG       SER  89  76.632 -14.510  10.043
   
  No H/Q in entry =         666
  Start of MODEL   22
    1   1H    MET   1           HT1      MET   1  91.233   2.652   1.440
    2   2H    MET   1           HT3      MET   1  91.633   4.200   2.006
    3   3H    MET   1           HT2      MET   1  91.466   2.913   3.103
    4    HA   MET   1           HA       MET   1  89.199   2.983   3.087
    5   1HB   MET   1           HB2      MET   1  90.521   5.600   2.595
    6   2HB   MET   1           HB1      MET   1  88.761   5.593   2.489
    7   1HG   MET   1           HG2      MET   1  89.555   4.048   4.775
    8   2HG   MET   1           HG1      MET   1  90.358   5.617   4.840
    9   1HE   MET   1           HE1      MET   1  89.700   7.212   5.878
   10   2HE   MET   1           HE3      MET   1  88.093   7.885   6.185
   11   3HE   MET   1           HE2      MET   1  88.674   6.516   7.130
   12    H    ASP   2           HN       ASP   2  87.969   1.912   1.564
   13    HA   ASP   2           HA       ASP   2  87.603   3.249  -1.099
   14   1HB   ASP   2           HB2      ASP   2  87.323   0.811  -1.886
   15   2HB   ASP   2           HB1      ASP   2  88.957   1.315  -1.447
   16    H    ASP   3           HN       ASP   3  85.669   4.231   0.002
   17    HA   ASP   3           HA       ASP   3  83.373   4.241   0.589
   18   1HB   ASP   3           HB2      ASP   3  83.878   2.452  -1.725
   19   2HB   ASP   3           HB1      ASP   3  82.291   2.287  -0.971
   20    H    ILE   4           HN       ILE   4  84.029   3.333   2.780
   21    HA   ILE   4           HA       ILE   4  84.205   0.714   3.619
   22    HB   ILE   4           HB       ILE   4  83.277   1.510   5.712
   23   1HG1  ILE   4          HG12      ILE   4  82.178   3.900   5.561
   24   2HG1  ILE   4          HG11      ILE   4  81.860   3.434   3.889
   25   1HG2  ILE   4          HG22      ILE   4  85.281   2.822   4.302
   26   2HG2  ILE   4          HG21      ILE   4  84.250   4.134   4.871
   27   3HG2  ILE   4          HG23      ILE   4  84.949   2.998   6.025
   28   1HD1  ILE   4          HD13      ILE   4  81.178   1.206   5.515
   29   2HD1  ILE   4          HD12      ILE   4  80.457   2.631   6.262
   30   3HD1  ILE   4          HD11      ILE   4  80.090   2.234   4.584
   31    H    TYR   5           HN       TYR   5  81.312   2.344   2.433
   32    HA   TYR   5           HA       TYR   5  79.332   0.482   3.285
   33   1HB   TYR   5           HB2      TYR   5  79.561   2.228   0.814
   34   2HB   TYR   5           HB1      TYR   5  78.065   1.473   1.364
   35    HD1  TYR   5           HD2      TYR   5  77.043   2.133   3.530
   36    HD2  TYR   5           HD1      TYR   5  80.490   4.145   1.943
   37    HE1  TYR   5           HE2      TYR   5  76.672   4.013   5.106
   38    HE2  TYR   5           HE1      TYR   5  80.119   6.025   3.517
   39    HH   TYR   5           HH       TYR   5  79.019   6.456   5.636
   40    H    LYS   6           HN       LYS   6  81.749   0.264   0.766
   41    HA   LYS   6           HA       LYS   6  80.630  -1.582  -1.031
   42   1HB   LYS   6           HB2      LYS   6  83.258  -0.683  -0.129
   43   2HB   LYS   6           HB1      LYS   6  83.285  -2.368  -0.646
   44   1HG   LYS   6           HG2      LYS   6  81.703  -1.042  -2.554
   45   2HG   LYS   6           HG1      LYS   6  83.075   0.029  -2.263
   46   1HD   LYS   6           HD2      LYS   6  84.154  -1.315  -3.747
   47   2HD   LYS   6           HD1      LYS   6  84.315  -2.409  -2.374
   48   1HE   LYS   6           HE2      LYS   6  83.062  -3.942  -3.471
   49   2HE   LYS   6           HE1      LYS   6  81.709  -2.793  -3.514
   50   1HZ   LYS   6           HZ1      LYS   6  83.179  -1.688  -5.350
   51   2HZ   LYS   6           HZ3      LYS   6  83.817  -3.252  -5.506
   52   3HZ   LYS   6           HZ2      LYS   6  82.155  -2.988  -5.738
   53    H    ALA   7           HN       ALA   7  82.065  -2.173   2.171
   54    HA   ALA   7           HA       ALA   7  82.105  -5.022   2.097
   55   1HB   ALA   7           HB3      ALA   7  82.829  -3.036   3.820
   56   2HB   ALA   7           HB2      ALA   7  81.399  -3.665   4.639
   57   3HB   ALA   7           HB1      ALA   7  82.751  -4.737   4.277
   58    H    ALA   8           HN       ALA   8  79.456  -2.789   2.323
   59    HA   ALA   8           HA       ALA   8  77.515  -4.303   3.731
   60   1HB   ALA   8           HB2      ALA   8  77.375  -1.923   2.954
   61   2HB   ALA   8           HB1      ALA   8  77.153  -2.511   1.306
   62   3HB   ALA   8           HB3      ALA   8  75.940  -2.861   2.537
   63    H    VAL   9           HN       VAL   9  78.078  -4.172   0.189
   64    HA   VAL   9           HA       VAL   9  76.270  -6.397  -0.338
   65    HB   VAL   9           HB       VAL   9  78.427  -5.208  -2.103
   66   1HG1  VAL   9          HG11      VAL   9  77.183  -7.246  -2.884
   67   2HG1  VAL   9          HG13      VAL   9  75.685  -6.323  -2.758
   68   3HG1  VAL   9          HG12      VAL   9  76.929  -5.832  -3.908
   69   1HG2  VAL   9          HG21      VAL   9  75.700  -4.152  -1.332
   70   2HG2  VAL   9          HG23      VAL   9  77.248  -3.312  -1.262
   71   3HG2  VAL   9          HG22      VAL   9  76.506  -3.663  -2.822
   72    H    GLU  10           HN       GLU  10  79.778  -6.006   0.029
   73    HA   GLU  10           HA       GLU  10  80.785  -8.393  -0.987
   74   1HB   GLU  10           HB2      GLU  10  81.745  -6.332   0.441
   75   2HB   GLU  10           HB1      GLU  10  81.664  -7.530   1.734
   76   1HG   GLU  10           HG2      GLU  10  82.901  -8.253  -0.912
   77   2HG   GLU  10           HG1      GLU  10  83.842  -7.375   0.294
   78    H    GLN  11           HN       GLN  11  78.850  -7.932   1.926
   79    HA   GLN  11           HA       GLN  11  79.300 -10.674   2.892
   80   1HB   GLN  11           HB2      GLN  11  77.320  -8.526   3.718
   81   2HB   GLN  11           HB1      GLN  11  77.775  -9.942   4.666
   82   1HG   GLN  11           HG2      GLN  11  79.921  -9.122   5.108
   83   2HG   GLN  11           HG1      GLN  11  79.897  -8.034   3.720
   84   1HE2  GLN  11          HE22      GLN  11  79.223  -5.527   6.164
   85   2HE2  GLN  11          HE21      GLN  11  80.418  -6.196   5.161
   86    H    LEU  12           HN       LEU  12  77.173  -9.098   0.683
   87    HA   LEU  12           HA       LEU  12  74.982 -11.051   0.975
   88   1HB   LEU  12           HB2      LEU  12  75.585  -8.763  -0.924
   89   2HB   LEU  12           HB1      LEU  12  74.090  -9.697  -0.964
   90    HG   LEU  12           HG       LEU  12  75.109  -8.203   1.469
   91   1HD1  LEU  12          HD12      LEU  12  74.048  -7.086  -0.825
   92   2HD1  LEU  12          HD11      LEU  12  72.621  -7.310   0.187
   93   3HD1  LEU  12          HD13      LEU  12  73.982  -6.359   0.781
   94   1HD2  LEU  12          HD21      LEU  12  72.509  -9.632   0.836
   95   2HD2  LEU  12          HD23      LEU  12  73.702 -10.104   2.046
   96   3HD2  LEU  12          HD22      LEU  12  72.765  -8.625   2.260
   97    H    THR  13           HN       THR  13  74.224 -11.972  -1.311
   98    HA   THR  13           HA       THR  13  76.626 -13.041  -2.756
   99    HB   THR  13           HB       THR  13  75.479 -15.217  -2.761
  100    HG1  THR  13           HG1      THR  13  73.563 -15.164  -1.213
  101   1HG2  THR  13          HG21      THR  13  76.830 -14.258  -0.718
  102   2HG2  THR  13          HG23      THR  13  75.256 -14.273   0.077
  103   3HG2  THR  13          HG22      THR  13  75.943 -15.772  -0.548
  104    H    GLU  14           HN       GLU  14  76.083 -13.796  -4.980
  105    HA   GLU  14           HA       GLU  14  74.732 -11.948  -6.579
  106   1HB   GLU  14           HB2      GLU  14  76.240 -14.117  -6.997
  107   2HB   GLU  14           HB1      GLU  14  74.665 -14.844  -7.320
  108   1HG   GLU  14           HG2      GLU  14  74.180 -13.190  -9.022
  109   2HG   GLU  14           HG1      GLU  14  75.641 -12.288  -8.620
  110    H    GLU  15           HN       GLU  15  73.421 -15.093  -5.451
  111    HA   GLU  15           HA       GLU  15  70.837 -14.952  -6.504
  112   1HB   GLU  15           HB2      GLU  15  70.255 -16.373  -4.533
  113   2HB   GLU  15           HB1      GLU  15  71.779 -16.857  -5.277
  114   1HG   GLU  15           HG2      GLU  15  73.021 -15.552  -3.589
  115   2HG   GLU  15           HG1      GLU  15  71.497 -15.075  -2.839
  116    H    GLN  16           HN       GLN  16  72.139 -13.288  -3.654
  117    HA   GLN  16           HA       GLN  16  69.601 -12.274  -2.702
  118   1HB   GLN  16           HB2      GLN  16  72.396 -12.246  -2.030
  119   2HB   GLN  16           HB1      GLN  16  71.779 -10.595  -1.956
  120   1HG   GLN  16           HG2      GLN  16  70.028 -11.237  -0.430
  121   2HG   GLN  16           HG1      GLN  16  70.401 -12.949  -0.639
  122   1HE2  GLN  16          HE22      GLN  16  72.068 -11.843   2.507
  123   2HE2  GLN  16          HE21      GLN  16  70.464 -11.964   1.964
  124    H    LYS  17           HN       LYS  17  72.202 -10.896  -4.728
  125    HA   LYS  17           HA       LYS  17  71.249  -8.271  -5.044
  126   1HB   LYS  17           HB2      LYS  17  73.064 -10.129  -6.306
  127   2HB   LYS  17           HB1      LYS  17  72.234  -9.182  -7.543
  128   1HG   LYS  17           HG2      LYS  17  72.895  -7.103  -6.463
  129   2HG   LYS  17           HG1      LYS  17  73.611  -7.991  -5.118
  130   1HD   LYS  17           HD2      LYS  17  74.957  -9.164  -7.110
  131   2HD   LYS  17           HD1      LYS  17  74.622  -7.625  -7.903
  132   1HE   LYS  17           HE2      LYS  17  75.432  -6.922  -5.303
  133   2HE   LYS  17           HE1      LYS  17  76.553  -8.201  -5.812
  134   1HZ   LYS  17           HZ1      LYS  17  75.787  -5.859  -7.475
  135   2HZ   LYS  17           HZ3      LYS  17  77.238  -5.985  -6.605
  136   3HZ   LYS  17           HZ2      LYS  17  76.919  -7.059  -7.882
  137    H    ASN  18           HN       ASN  18  70.108 -11.261  -6.548
  138    HA   ASN  18           HA       ASN  18  68.407  -9.957  -8.516
  139   1HB   ASN  18           HB2      ASN  18  69.092 -12.658  -7.541
  140   2HB   ASN  18           HB1      ASN  18  67.445 -12.507  -8.152
  141   1HD2  ASN  18          HD22      ASN  18  70.214 -13.011 -10.864
  142   2HD2  ASN  18          HD21      ASN  18  70.203 -13.622  -9.280
  143    H    GLU  19           HN       GLU  19  67.913 -11.337  -5.269
  144    HA   GLU  19           HA       GLU  19  65.054 -11.089  -5.208
  145   1HB   GLU  19           HB2      GLU  19  67.272 -11.787  -3.493
  146   2HB   GLU  19           HB1      GLU  19  66.135 -10.767  -2.609
  147   1HG   GLU  19           HG2      GLU  19  64.522 -12.366  -2.600
  148   2HG   GLU  19           HG1      GLU  19  64.855 -12.840  -4.266
  149    H    PHE  20           HN       PHE  20  67.554  -9.005  -3.695
  150    HA   PHE  20           HA       PHE  20  65.894  -6.929  -2.785
  151   1HB   PHE  20           HB2      PHE  20  68.688  -7.436  -3.362
  152   2HB   PHE  20           HB1      PHE  20  68.276  -5.770  -3.765
  153    HD1  PHE  20           HD2      PHE  20  66.139  -5.180  -1.820
  154    HD2  PHE  20           HD1      PHE  20  69.841  -7.297  -1.306
  155    HE1  PHE  20           HE2      PHE  20  66.140  -4.593   0.589
  156    HE2  PHE  20           HE1      PHE  20  69.843  -6.709   1.103
  157    HZ   PHE  20           HZ       PHE  20  67.992  -5.356   2.051
  158    H    LYS  21           HN       LYS  21  67.209  -7.473  -6.042
  159    HA   LYS  21           HA       LYS  21  66.362  -4.953  -7.162
  160   1HB   LYS  21           HB2      LYS  21  68.093  -6.624  -8.004
  161   2HB   LYS  21           HB1      LYS  21  66.742  -7.613  -8.561
  162   1HG   LYS  21           HG2      LYS  21  66.226  -4.974  -9.454
  163   2HG   LYS  21           HG1      LYS  21  67.919  -5.308  -9.823
  164   1HD   LYS  21           HD2      LYS  21  67.355  -6.732 -11.476
  165   2HD   LYS  21           HD1      LYS  21  66.250  -7.610 -10.418
  166   1HE   LYS  21           HE2      LYS  21  64.421  -6.486 -11.204
  167   2HE   LYS  21           HE1      LYS  21  65.288  -4.939 -11.271
  168   1HZ   LYS  21           HZ2      LYS  21  65.779  -7.204 -13.129
  169   2HZ   LYS  21           HZ1      LYS  21  64.781  -5.880 -13.496
  170   3HZ   LYS  21           HZ3      LYS  21  66.437  -5.641 -13.227
  171    H    ALA  22           HN       ALA  22  64.837  -8.161  -6.926
  172    HA   ALA  22           HA       ALA  22  62.553  -7.539  -8.579
  173   1HB   ALA  22           HB2      ALA  22  63.036  -9.562  -6.368
  174   2HB   ALA  22           HB1      ALA  22  61.669  -9.609  -7.481
  175   3HB   ALA  22           HB3      ALA  22  63.311  -9.814  -8.091
  176    H    ALA  23           HN       ALA  23  63.462  -6.358  -5.554
  177    HA   ALA  23           HA       ALA  23  60.615  -5.882  -4.742
  178   1HB   ALA  23           HB2      ALA  23  63.241  -6.029  -3.239
  179   2HB   ALA  23           HB1      ALA  23  61.750  -5.448  -2.494
  180   3HB   ALA  23           HB3      ALA  23  61.852  -7.106  -3.087
  181    H    PHE  24           HN       PHE  24  63.749  -4.361  -5.359
  182    HA   PHE  24           HA       PHE  24  62.894  -1.695  -4.531
  183   1HB   PHE  24           HB2      PHE  24  65.206  -2.250  -4.377
  184   2HB   PHE  24           HB1      PHE  24  65.239  -2.889  -6.020
  185    HD1  PHE  24           HD1      PHE  24  65.031   0.203  -3.987
  186    HD2  PHE  24           HD2      PHE  24  65.472  -1.443  -7.930
  187    HE1  PHE  24           HE1      PHE  24  65.667   2.439  -4.850
  188    HE2  PHE  24           HE2      PHE  24  66.108   0.792  -8.793
  189    HZ   PHE  24           HZ       PHE  24  66.206   2.733  -7.253
  190    H    ASP  25           HN       ASP  25  63.288  -3.393  -7.646
  191    HA   ASP  25           HA       ASP  25  62.688  -1.161  -9.341
  192   1HB   ASP  25           HB2      ASP  25  62.938  -4.096  -9.474
  193   2HB   ASP  25           HB1      ASP  25  61.852  -3.415 -10.688
  194    H    ILE  26           HN       ILE  26  60.677  -3.125  -7.317
  195    HA   ILE  26           HA       ILE  26  58.190  -2.767  -8.783
  196    HB   ILE  26           HB       ILE  26  58.894  -3.525  -5.935
  197   1HG1  ILE  26          HG12      ILE  26  58.237  -5.061  -8.461
  198   2HG1  ILE  26          HG11      ILE  26  59.706  -5.158  -7.490
  199   1HG2  ILE  26          HG22      ILE  26  56.247  -3.619  -7.414
  200   2HG2  ILE  26          HG21      ILE  26  56.554  -4.431  -5.880
  201   3HG2  ILE  26          HG23      ILE  26  56.615  -2.671  -5.973
  202   1HD1  ILE  26          HD11      ILE  26  58.174  -5.922  -5.568
  203   2HD1  ILE  26          HD13      ILE  26  56.947  -6.170  -6.810
  204   3HD1  ILE  26          HD12      ILE  26  58.458  -7.075  -6.872
  205    H    PHE  27           HN       PHE  27  60.099  -0.528  -7.255
  206    HA   PHE  27           HA       PHE  27  57.729   1.188  -6.599
  207   1HB   PHE  27           HB2      PHE  27  60.343   0.864  -5.090
  208   2HB   PHE  27           HB1      PHE  27  59.084   2.029  -4.681
  209    HD1  PHE  27           HD1      PHE  27  59.877  -1.585  -4.938
  210    HD2  PHE  27           HD2      PHE  27  57.070   1.358  -3.560
  211    HE1  PHE  27           HE1      PHE  27  58.678  -3.333  -3.648
  212    HE2  PHE  27           HE2      PHE  27  55.870  -0.388  -2.271
  213    HZ   PHE  27           HZ       PHE  27  56.674  -2.734  -2.315
  214    H    VAL  28           HN       VAL  28  59.505   1.010  -9.019
  215    HA   VAL  28           HA       VAL  28  60.930   3.635  -8.863
  216    HB   VAL  28           HB       VAL  28  61.019   1.331 -10.840
  217   1HG1  VAL  28          HG11      VAL  28  61.882   4.062 -11.072
  218   2HG1  VAL  28          HG13      VAL  28  63.302   3.017 -11.005
  219   3HG1  VAL  28          HG12      VAL  28  62.068   2.750 -12.235
  220   1HG2  VAL  28          HG22      VAL  28  61.978   1.127  -8.417
  221   2HG2  VAL  28          HG21      VAL  28  63.001   0.652  -9.774
  222   3HG2  VAL  28          HG23      VAL  28  63.233   2.220  -9.000
  223    H    LEU  29           HN       LEU  29  57.919   3.110  -9.247
  224    HA   LEU  29           HA       LEU  29  57.099   3.623 -11.907
  225   1HB   LEU  29           HB2      LEU  29  55.048   4.450 -10.795
  226   2HB   LEU  29           HB1      LEU  29  55.649   2.994 -10.000
  227    HG   LEU  29           HG       LEU  29  56.945   5.234  -8.799
  228   1HD1  LEU  29          HD11      LEU  29  54.683   6.224  -9.854
  229   2HD1  LEU  29          HD13      LEU  29  54.009   5.535  -8.378
  230   3HD1  LEU  29          HD12      LEU  29  55.288   6.745  -8.281
  231   1HD2  LEU  29          HD21      LEU  29  55.270   2.927  -8.087
  232   2HD2  LEU  29          HD23      LEU  29  56.669   3.598  -7.249
  233   3HD2  LEU  29          HD22      LEU  29  55.069   4.296  -6.995
  234    H    GLY  30           HN       GLY  30  58.538   5.190 -12.862
  235   1HA   GLY  30           HA2      GLY  30  58.764   7.436 -13.630
  236   2HA   GLY  30           HA1      GLY  30  57.799   7.977 -12.254
  237    H    ALA  31           HN       ALA  31  60.846   8.109 -13.494
  238    HA   ALA  31           HA       ALA  31  62.026   9.280 -11.179
  239   1HB   ALA  31           HB2      ALA  31  61.956   6.370 -11.327
  240   2HB   ALA  31           HB1      ALA  31  63.610   6.970 -11.208
  241   3HB   ALA  31           HB3      ALA  31  62.424   7.402  -9.976
  242    H    GLU  32           HN       GLU  32  64.667   8.890 -11.482
  243    HA   GLU  32           HA       GLU  32  65.243  10.018 -14.112
  244   1HB   GLU  32           HB2      GLU  32  66.863   9.190 -11.691
  245   2HB   GLU  32           HB1      GLU  32  67.604   9.901 -13.126
  246   1HG   GLU  32           HG2      GLU  32  66.425  11.944 -12.855
  247   2HG   GLU  32           HG1      GLU  32  65.294  11.231 -11.706
  248    H    ASP  33           HN       ASP  33  66.180   6.999 -12.420
  249    HA   ASP  33           HA       ASP  33  66.053   5.409 -14.832
  250   1HB   ASP  33           HB2      ASP  33  68.009   6.701 -15.431
  251   2HB   ASP  33           HB1      ASP  33  68.733   6.430 -13.845
  252    H    GLY  34           HN       GLY  34  64.875   4.194 -13.119
  253   1HA   GLY  34           HA2      GLY  34  64.854   2.237 -11.789
  254   2HA   GLY  34           HA1      GLY  34  66.618   2.229 -11.839
  255    H    CYS  35           HN       CYS  35  64.327   4.714 -10.685
  256    HA   CYS  35           HA       CYS  35  65.607   4.484  -7.981
  257   1HB   CYS  35           HB2      CYS  35  64.739   7.029  -9.381
  258   2HB   CYS  35           HB1      CYS  35  65.694   6.896  -7.905
  259    HG   CYS  35           HG       CYS  35  67.535   5.654  -9.521
  260    H    ILE  36           HN       ILE  36  64.184   5.201  -6.216
  261    HA   ILE  36           HA       ILE  36  61.276   5.251  -6.959
  262    HB   ILE  36           HB       ILE  36  60.869   3.757  -5.099
  263   1HG1  ILE  36          HG12      ILE  36  63.832   4.083  -4.513
  264   2HG1  ILE  36          HG11      ILE  36  62.504   4.701  -3.528
  265   1HG2  ILE  36          HG21      ILE  36  61.955   2.919  -7.334
  266   2HG2  ILE  36          HG23      ILE  36  63.364   2.606  -6.321
  267   3HG2  ILE  36          HG22      ILE  36  61.831   1.810  -5.968
  268   1HD1  ILE  36          HD12      ILE  36  61.728   2.172  -3.555
  269   2HD1  ILE  36          HD11      ILE  36  63.432   1.875  -3.901
  270   3HD1  ILE  36          HD13      ILE  36  62.965   2.712  -2.420
  271    H    SER  37           HN       SER  37  59.948   6.122  -5.035
  272    HA   SER  37           HA       SER  37  61.196   8.628  -4.102
  273   1HB   SER  37           HB2      SER  37  58.906   8.483  -5.079
  274   2HB   SER  37           HB1      SER  37  58.417   7.460  -3.731
  275    HG   SER  37           HG       SER  37  57.990   9.794  -3.544
  276    H    THR  38           HN       THR  38  61.886   8.968  -2.010
  277    HA   THR  38           HA       THR  38  62.451   6.931  -0.179
  278    HB   THR  38           HB       THR  38  62.583   8.823   1.455
  279    HG1  THR  38           HG1      THR  38  60.638   9.781   0.195
  280   1HG2  THR  38          HG23      THR  38  63.616   9.230  -1.354
  281   2HG2  THR  38          HG22      THR  38  64.070  10.292  -0.021
  282   3HG2  THR  38          HG21      THR  38  64.480   8.577   0.038
  283    H    LYS  39           HN       LYS  39  59.390   8.463  -0.830
  284    HA   LYS  39           HA       LYS  39  58.062   7.884   1.660
  285   1HB   LYS  39           HB2      LYS  39  57.400   8.680  -1.128
  286   2HB   LYS  39           HB1      LYS  39  56.088   7.959  -0.196
  287   1HG   LYS  39           HG2      LYS  39  55.781   9.991   0.735
  288   2HG   LYS  39           HG1      LYS  39  57.301   9.727   1.590
  289   1HD   LYS  39           HD2      LYS  39  58.437  10.607  -0.562
  290   2HD   LYS  39           HD1      LYS  39  56.838  11.218  -0.990
  291   1HE   LYS  39           HE2      LYS  39  57.107  12.029   1.649
  292   2HE   LYS  39           HE1      LYS  39  58.740  12.251   0.990
  293   1HZ   LYS  39           HZ1      LYS  39  56.337  13.072  -0.525
  294   2HZ   LYS  39           HZ3      LYS  39  57.062  14.116   0.597
  295   3HZ   LYS  39           HZ2      LYS  39  57.948  13.568  -0.745
  296    H    GLU  40           HN       GLU  40  58.516   6.054  -1.346
  297    HA   GLU  40           HA       GLU  40  56.751   3.869  -0.503
  298   1HB   GLU  40           HB2      GLU  40  58.757   4.224  -2.753
  299   2HB   GLU  40           HB1      GLU  40  57.640   2.866  -2.620
  300   1HG   GLU  40           HG2      GLU  40  56.804   5.778  -2.751
  301   2HG   GLU  40           HG1      GLU  40  56.776   4.663  -4.118
  302    H    LEU  41           HN       LEU  41  60.177   4.631  -0.328
  303    HA   LEU  41           HA       LEU  41  61.495   2.235  -0.049
  304   1HB   LEU  41           HB2      LEU  41  62.056   4.804   0.461
  305   2HB   LEU  41           HB1      LEU  41  61.855   4.254   2.125
  306    HG   LEU  41           HG       LEU  41  63.803   3.225   0.054
  307   1HD1  LEU  41          HD13      LEU  41  64.136   5.239   1.775
  308   2HD1  LEU  41          HD12      LEU  41  64.481   3.911   2.882
  309   3HD1  LEU  41          HD11      LEU  41  65.444   4.110   1.419
  310   1HD2  LEU  41          HD22      LEU  41  62.778   1.960   2.588
  311   2HD2  LEU  41          HD21      LEU  41  63.071   1.210   1.020
  312   3HD2  LEU  41          HD23      LEU  41  64.430   1.656   2.052
  313    H    GLY  42           HN       GLY  42  59.160   3.599   2.237
  314   1HA   GLY  42           HA2      GLY  42  59.648   1.942   4.472
  315   2HA   GLY  42           HA1      GLY  42  58.066   2.607   4.062
  316    H    LYS  43           HN       LYS  43  56.920   1.389   2.220
  317    HA   LYS  43           HA       LYS  43  56.357  -1.257   2.907
  318   1HB   LYS  43           HB2      LYS  43  55.920   0.585   0.693
  319   2HB   LYS  43           HB1      LYS  43  56.030  -1.082   0.127
  320   1HG   LYS  43           HG2      LYS  43  53.749  -0.852   0.659
  321   2HG   LYS  43           HG1      LYS  43  54.421  -1.622   2.098
  322   1HD   LYS  43           HD2      LYS  43  54.306   1.378   1.913
  323   2HD   LYS  43           HD1      LYS  43  52.873   0.467   2.390
  324   1HE   LYS  43           HE2      LYS  43  54.759  -0.719   3.971
  325   2HE   LYS  43           HE1      LYS  43  55.377   0.944   3.896
  326   1HZ   LYS  43           HZ3      LYS  43  52.493   0.544   4.228
  327   2HZ   LYS  43           HZ2      LYS  43  53.489   0.291   5.582
  328   3HZ   LYS  43           HZ1      LYS  43  53.479   1.799   4.799
  329    H    VAL  44           HN       VAL  44  59.007  -0.035   0.929
  330    HA   VAL  44           HA       VAL  44  59.775  -2.579  -0.217
  331    HB   VAL  44           HB       VAL  44  61.013   0.142   0.182
  332   1HG1  VAL  44          HG11      VAL  44  62.322  -2.313  -1.024
  333   2HG1  VAL  44          HG13      VAL  44  62.922  -0.667  -1.229
  334   3HG1  VAL  44          HG12      VAL  44  62.884  -1.397   0.375
  335   1HG2  VAL  44          HG22      VAL  44  60.222  -1.493  -2.251
  336   2HG2  VAL  44          HG21      VAL  44  59.315  -0.140  -1.574
  337   3HG2  VAL  44          HG23      VAL  44  60.899   0.135  -2.298
  338    H    MET  45           HN       MET  45  60.653  -0.825   2.742
  339    HA   MET  45           HA       MET  45  62.815  -2.644   3.464
  340   1HB   MET  45           HB2      MET  45  61.365  -0.294   4.567
  341   2HB   MET  45           HB1      MET  45  62.148  -1.344   5.748
  342   1HG   MET  45           HG2      MET  45  64.024  -1.069   3.682
  343   2HG   MET  45           HG1      MET  45  63.350   0.547   3.898
  344   1HE   MET  45           HE3      MET  45  65.617   1.027   4.165
  345   2HE   MET  45           HE2      MET  45  65.261   2.034   5.565
  346   3HE   MET  45           HE1      MET  45  66.596   0.886   5.632
  347    H    ARG  46           HN       ARG  46  59.461  -2.151   4.630
  348    HA   ARG  46           HA       ARG  46  59.511  -4.334   6.511
  349   1HB   ARG  46           HB2      ARG  46  57.039  -3.954   6.452
  350   2HB   ARG  46           HB1      ARG  46  57.950  -2.454   6.626
  351   1HG   ARG  46           HG2      ARG  46  56.765  -1.715   4.846
  352   2HG   ARG  46           HG1      ARG  46  57.803  -2.766   3.882
  353   1HD   ARG  46           HD2      ARG  46  55.364  -3.179   3.459
  354   2HD   ARG  46           HD1      ARG  46  56.180  -4.611   4.117
  355    HE   ARG  46           HE       ARG  46  55.319  -3.162   6.352
  356   1HH1  ARG  46          HH11      ARG  46  54.400  -5.919   5.097
  357   2HH1  ARG  46          HH12      ARG  46  52.685  -5.698   5.179
  358   1HH2  ARG  46          HH21      ARG  46  52.888  -2.292   5.801
  359   2HH2  ARG  46          HH22      ARG  46  51.828  -3.644   5.577
  360    H    MET  47           HN       MET  47  59.525  -4.343   3.128
  361    HA   MET  47           HA       MET  47  57.800  -6.649   2.669
  362   1HB   MET  47           HB2      MET  47  59.342  -4.693   1.205
  363   2HB   MET  47           HB1      MET  47  59.679  -6.307   0.577
  364   1HG   MET  47           HG2      MET  47  56.849  -6.003   1.108
  365   2HG   MET  47           HG1      MET  47  57.415  -4.724   0.034
  366   1HE   MET  47           HE2      MET  47  58.001  -4.700  -1.876
  367   2HE   MET  47           HE1      MET  47  58.640  -5.950  -2.940
  368   3HE   MET  47           HE3      MET  47  56.898  -5.659  -2.861
  369    H    LEU  48           HN       LEU  48  61.307  -6.128   3.038
  370    HA   LEU  48           HA       LEU  48  61.888  -8.991   2.641
  371   1HB   LEU  48           HB2      LEU  48  63.393  -6.435   3.103
  372   2HB   LEU  48           HB1      LEU  48  64.219  -7.970   3.370
  373    HG   LEU  48           HG       LEU  48  62.666  -7.501   0.835
  374   1HD1  LEU  48          HD11      LEU  48  64.300  -5.615   1.176
  375   2HD1  LEU  48          HD13      LEU  48  65.590  -6.815   1.251
  376   3HD1  LEU  48          HD12      LEU  48  64.655  -6.617  -0.230
  377   1HD2  LEU  48          HD23      LEU  48  64.859  -9.324   1.806
  378   2HD2  LEU  48          HD22      LEU  48  63.331  -9.747   1.034
  379   3HD2  LEU  48          HD21      LEU  48  64.636  -9.044   0.079
  380    H    GLY  49           HN       GLY  49  61.467  -6.725   5.298
  381   1HA   GLY  49           HA2      GLY  49  60.747  -8.192   7.374
  382   2HA   GLY  49           HA1      GLY  49  62.410  -8.766   7.243
  383    H    GLN  50           HN       GLN  50  62.903  -5.827   6.204
  384    HA   GLN  50           HA       GLN  50  63.709  -4.806   8.847
  385   1HB   GLN  50           HB2      GLN  50  64.172  -4.205   5.955
  386   2HB   GLN  50           HB1      GLN  50  64.457  -2.907   7.114
  387   1HG   GLN  50           HG2      GLN  50  65.703  -5.670   7.180
  388   2HG   GLN  50           HG1      GLN  50  66.526  -4.165   6.772
  389   1HE2  GLN  50          HE22      GLN  50  66.518  -2.983  10.193
  390   2HE2  GLN  50          HE21      GLN  50  66.388  -2.421   8.596
  391    H    ASN  51           HN       ASN  51  62.564  -3.274   9.979
  392    HA   ASN  51           HA       ASN  51  60.627  -1.538   8.525
  393   1HB   ASN  51           HB2      ASN  51  58.851  -2.186  10.077
  394   2HB   ASN  51           HB1      ASN  51  59.500  -3.633   9.305
  395   1HD2  ASN  51          HD22      ASN  51  59.328  -4.075  13.074
  396   2HD2  ASN  51          HD21      ASN  51  58.178  -3.561  11.937
  397    HA   PRO  52           HA       PRO  52  63.066   0.479  11.963
  398   1HB   PRO  52           HB2      PRO  52  64.256   2.391  10.408
  399   2HB   PRO  52           HB1      PRO  52  64.969   0.789  10.679
  400   1HG   PRO  52           HG2      PRO  52  63.454   1.813   8.333
  401   2HG   PRO  52           HG1      PRO  52  64.859   0.739   8.388
  402   1HD   PRO  52           HD2      PRO  52  62.301  -0.132   7.988
  403   2HD   PRO  52           HD1      PRO  52  63.581  -1.128   8.716
  404    H    THR  53           HN       THR  53  63.034   3.060  12.296
  405    HA   THR  53           HA       THR  53  60.215   3.876  11.922
  406    HB   THR  53           HB       THR  53  61.271   5.843  13.358
  407    HG1  THR  53           HG1      THR  53  63.053   3.814  14.067
  408   1HG2  THR  53          HG23      THR  53  59.808   3.688  13.963
  409   2HG2  THR  53          HG22      THR  53  61.297   3.227  14.788
  410   3HG2  THR  53          HG21      THR  53  60.483   4.732  15.214
  411    HA   PRO  54           HA       PRO  54  61.049   6.655   8.624
  412   1HB   PRO  54           HB2      PRO  54  59.161   8.576   9.102
  413   2HB   PRO  54           HB1      PRO  54  58.760   6.963   8.476
  414   1HG   PRO  54           HG2      PRO  54  58.524   8.034  11.242
  415   2HG   PRO  54           HG1      PRO  54  57.451   6.937  10.359
  416   1HD   PRO  54           HD2      PRO  54  59.241   6.113  12.254
  417   2HD   PRO  54           HD1      PRO  54  58.664   5.087  10.924
  418    H    GLU  55           HN       GLU  55  60.399   8.408  11.688
  419    HA   GLU  55           HA       GLU  55  61.745  10.803  11.195
  420   1HB   GLU  55           HB2      GLU  55  60.901   9.172  13.459
  421   2HB   GLU  55           HB1      GLU  55  62.355  10.096  13.837
  422   1HG   GLU  55           HG2      GLU  55  61.045  12.073  12.692
  423   2HG   GLU  55           HG1      GLU  55  59.630  11.090  13.067
  424    H    GLU  56           HN       GLU  56  63.117   7.629  11.889
  425    HA   GLU  56           HA       GLU  56  65.854   8.724  12.157
  426   1HB   GLU  56           HB2      GLU  56  64.587   5.973  12.278
  427   2HB   GLU  56           HB1      GLU  56  66.324   6.233  12.451
  428   1HG   GLU  56           HG2      GLU  56  65.827   7.832  14.328
  429   2HG   GLU  56           HG1      GLU  56  64.132   7.358  14.217
  430    H    LEU  57           HN       LEU  57  64.098   6.464  10.010
  431    HA   LEU  57           HA       LEU  57  66.130   5.951   8.129
  432   1HB   LEU  57           HB2      LEU  57  64.243   4.671   7.809
  433   2HB   LEU  57           HB1      LEU  57  63.156   5.983   8.254
  434    HG   LEU  57           HG       LEU  57  64.687   6.284   5.710
  435   1HD1  LEU  57          HD12      LEU  57  62.868   4.055   6.295
  436   2HD1  LEU  57          HD11      LEU  57  62.368   5.013   4.902
  437   3HD1  LEU  57          HD13      LEU  57  63.970   4.277   4.935
  438   1HD2  LEU  57          HD22      LEU  57  62.461   7.473   7.062
  439   2HD2  LEU  57          HD21      LEU  57  63.195   7.964   5.535
  440   3HD2  LEU  57          HD23      LEU  57  61.878   6.792   5.543
  441    H    GLN  58           HN       GLN  58  64.134   8.820   8.564
  442    HA   GLN  58           HA       GLN  58  64.659  10.041   6.002
  443   1HB   GLN  58           HB2      GLN  58  63.592  10.788   8.686
  444   2HB   GLN  58           HB1      GLN  58  64.109  12.110   7.638
  445   1HG   GLN  58           HG2      GLN  58  62.105   9.945   6.935
  446   2HG   GLN  58           HG1      GLN  58  61.744  11.644   7.241
  447   1HE2  GLN  58          HE22      GLN  58  63.468  12.653   4.138
  448   2HE2  GLN  58          HE21      GLN  58  63.499  13.082   5.780
  449    H    GLU  59           HN       GLU  59  66.367  10.005   9.098
  450    HA   GLU  59           HA       GLU  59  68.185  12.170   8.546
  451   1HB   GLU  59           HB2      GLU  59  67.671  10.122  10.535
  452   2HB   GLU  59           HB1      GLU  59  69.404  10.290  10.257
  453   1HG   GLU  59           HG2      GLU  59  68.220  12.905  10.336
  454   2HG   GLU  59           HG1      GLU  59  67.716  12.005  11.767
  455    H    MET  60           HN       MET  60  68.040   8.864   7.472
  456    HA   MET  60           HA       MET  60  70.896   8.797   6.690
  457   1HB   MET  60           HB2      MET  60  68.543   6.916   6.708
  458   2HB   MET  60           HB1      MET  60  69.987   6.511   5.779
  459   1HG   MET  60           HG2      MET  60  71.107   5.931   7.645
  460   2HG   MET  60           HG1      MET  60  70.707   7.464   8.420
  461   1HE   MET  60           HE1      MET  60  69.107   4.665   6.829
  462   2HE   MET  60           HE3      MET  60  68.952   3.507   8.157
  463   3HE   MET  60           HE2      MET  60  67.565   4.471   7.658
  464    H    ILE  61           HN       ILE  61  67.681   9.046   5.203
  465    HA   ILE  61           HA       ILE  61  68.502   8.768   2.469
  466    HB   ILE  61           HB       ILE  61  66.193  10.062   3.925
  467   1HG1  ILE  61          HG12      ILE  61  66.277   7.678   2.058
  468   2HG1  ILE  61          HG11      ILE  61  66.504   7.538   3.801
  469   1HG2  ILE  61          HG21      ILE  61  67.037  10.522   1.197
  470   2HG2  ILE  61          HG23      ILE  61  65.491   9.673   1.220
  471   3HG2  ILE  61          HG22      ILE  61  65.664  11.212   2.064
  472   1HD1  ILE  61          HD12      ILE  61  64.207   9.155   3.405
  473   2HD1  ILE  61          HD11      ILE  61  64.043   7.769   2.327
  474   3HD1  ILE  61          HD13      ILE  61  64.270   7.519   4.058
  475    H    ASP  62           HN       ASP  62  67.947  11.690   4.471
  476    HA   ASP  62           HA       ASP  62  68.748  13.556   2.418
  477   1HB   ASP  62           HB2      ASP  62  68.627  15.147   4.254
  478   2HB   ASP  62           HB1      ASP  62  67.320  13.979   4.453
  479    H    GLU  63           HN       GLU  63  70.548  11.367   4.294
  480    HA   GLU  63           HA       GLU  63  73.012  13.044   4.220
  481   1HB   GLU  63           HB2      GLU  63  72.825  12.153   6.347
  482   2HB   GLU  63           HB1      GLU  63  71.913  10.753   5.786
  483   1HG   GLU  63           HG2      GLU  63  73.815   9.556   5.246
  484   2HG   GLU  63           HG1      GLU  63  74.780  11.005   4.967
  485    H    VAL  64           HN       VAL  64  71.507  10.180   2.866
  486    HA   VAL  64           HA       VAL  64  74.027   9.379   1.493
  487    HB   VAL  64           HB       VAL  64  72.488   7.804   2.759
  488   1HG1  VAL  64          HG11      VAL  64  70.376   8.866   2.009
  489   2HG1  VAL  64          HG13      VAL  64  70.701   8.313   0.366
  490   3HG1  VAL  64          HG12      VAL  64  70.408   7.139   1.648
  491   1HG2  VAL  64          HG22      VAL  64  74.097   7.110   0.927
  492   2HG2  VAL  64          HG21      VAL  64  72.721   6.029   1.140
  493   3HG2  VAL  64          HG23      VAL  64  72.740   7.180  -0.195
  494    H    ASP  65           HN       ASP  65  70.696  10.400   0.827
  495    HA   ASP  65           HA       ASP  65  70.379  10.138  -1.884
  496   1HB   ASP  65           HB2      ASP  65  69.118  12.278  -1.746
  497   2HB   ASP  65           HB1      ASP  65  68.811  11.249  -0.346
  498    H    GLU  66           HN       GLU  66  72.361  10.192  -3.069
  499    HA   GLU  66           HA       GLU  66  74.469  11.970  -3.037
  500   1HB   GLU  66           HB2      GLU  66  73.088  10.268  -4.968
  501   2HB   GLU  66           HB1      GLU  66  73.873  11.641  -5.749
  502   1HG   GLU  66           HG2      GLU  66  76.005  11.029  -4.968
  503   2HG   GLU  66           HG1      GLU  66  75.344  10.011  -3.687
  504    H    ASP  67           HN       ASP  67  71.525  12.484  -5.033
  505    HA   ASP  67           HA       ASP  67  72.244  15.298  -5.484
  506   1HB   ASP  67           HB2      ASP  67  69.792  13.643  -6.171
  507   2HB   ASP  67           HB1      ASP  67  70.168  15.234  -6.834
  508    H    GLY  68           HN       GLY  68  69.545  13.564  -3.880
  509   1HA   GLY  68           HA2      GLY  68  68.778  14.336  -1.661
  510   2HA   GLY  68           HA1      GLY  68  69.178  15.980  -2.161
  511    H    SER  69           HN       SER  69  67.689  13.969  -4.537
  512    HA   SER  69           HA       SER  69  65.301  15.705  -4.522
  513   1HB   SER  69           HB2      SER  69  65.089  13.676  -6.464
  514   2HB   SER  69           HB1      SER  69  65.646  15.326  -6.722
  515    HG   SER  69           HG       SER  69  67.277  13.976  -7.371
  516    H    GLY  70           HN       GLY  70  65.730  13.715  -2.314
  517   1HA   GLY  70           HA2      GLY  70  64.514  12.067  -1.161
  518   2HA   GLY  70           HA1      GLY  70  63.108  12.806  -1.927
  519    H    THR  71           HN       THR  71  65.780  11.194  -3.609
  520    HA   THR  71           HA       THR  71  63.944   8.930  -4.279
  521    HB   THR  71           HB       THR  71  64.903   9.285  -6.677
  522    HG1  THR  71           HG1      THR  71  66.401  10.810  -6.411
  523   1HG2  THR  71          HG22      THR  71  62.624  10.252  -5.325
  524   2HG2  THR  71          HG21      THR  71  63.202  11.590  -6.317
  525   3HG2  THR  71          HG23      THR  71  62.821  10.038  -7.063
  526    H    VAL  72           HN       VAL  72  65.024   7.020  -4.049
  527    HA   VAL  72           HA       VAL  72  68.012   7.078  -3.957
  528    HB   VAL  72           HB       VAL  72  67.467   4.736  -2.862
  529   1HG1  VAL  72          HG12      VAL  72  67.150   7.481  -1.692
  530   2HG1  VAL  72          HG11      VAL  72  66.978   6.049  -0.675
  531   3HG1  VAL  72          HG13      VAL  72  68.497   6.349  -1.524
  532   1HG2  VAL  72          HG22      VAL  72  64.950   5.215  -3.540
  533   2HG2  VAL  72          HG21      VAL  72  65.326   4.421  -2.011
  534   3HG2  VAL  72          HG23      VAL  72  64.948   6.143  -2.041
  535    H    ASP  73           HN       ASP  73  69.164   5.321  -4.959
  536    HA   ASP  73           HA       ASP  73  67.693   4.080  -7.257
  537   1HB   ASP  73           HB2      ASP  73  70.633   4.768  -6.899
  538   2HB   ASP  73           HB1      ASP  73  69.889   4.151  -8.375
  539    H    PHE  74           HN       PHE  74  69.170   2.001  -7.942
  540    HA   PHE  74           HA       PHE  74  68.885   0.100  -5.798
  541   1HB   PHE  74           HB2      PHE  74  68.737  -0.306  -8.281
  542   2HB   PHE  74           HB1      PHE  74  70.485  -0.089  -8.371
  543    HD1  PHE  74           HD2      PHE  74  68.394  -1.766  -5.768
  544    HD2  PHE  74           HD1      PHE  74  71.384  -2.214  -8.816
  545    HE1  PHE  74           HE2      PHE  74  68.718  -4.135  -5.100
  546    HE2  PHE  74           HE1      PHE  74  71.711  -4.581  -8.150
  547    HZ   PHE  74           HZ       PHE  74  70.377  -5.541  -6.291
  548    H    ASP  75           HN       ASP  75  71.300   2.391  -6.448
  549    HA   ASP  75           HA       ASP  75  73.544   0.821  -5.356
  550   1HB   ASP  75           HB2      ASP  75  73.150   3.072  -7.014
  551   2HB   ASP  75           HB1      ASP  75  73.961   3.679  -5.569
  552    H    GLU  76           HN       GLU  76  71.416   3.495  -4.319
  553    HA   GLU  76           HA       GLU  76  72.780   3.677  -1.707
  554   1HB   GLU  76           HB2      GLU  76  70.395   5.052  -2.980
  555   2HB   GLU  76           HB1      GLU  76  71.037   5.470  -1.391
  556   1HG   GLU  76           HG2      GLU  76  73.047   6.291  -2.272
  557   2HG   GLU  76           HG1      GLU  76  72.867   5.389  -3.777
  558    H    PHE  77           HN       PHE  77  69.482   2.887  -2.888
  559    HA   PHE  77           HA       PHE  77  68.233   2.229  -0.484
  560   1HB   PHE  77           HB2      PHE  77  67.028   2.217  -2.547
  561   2HB   PHE  77           HB1      PHE  77  68.116   1.023  -3.257
  562    HD1  PHE  77           HD1      PHE  77  66.198   1.280  -0.036
  563    HD2  PHE  77           HD2      PHE  77  67.109  -1.056  -3.525
  564    HE1  PHE  77           HE1      PHE  77  64.756  -0.551   0.812
  565    HE2  PHE  77           HE2      PHE  77  65.666  -2.886  -2.677
  566    HZ   PHE  77           HZ       PHE  77  64.490  -2.633  -0.508
  567    H    LEU  78           HN       LEU  78  70.624   0.326  -2.276
  568    HA   LEU  78           HA       LEU  78  70.265  -2.087  -0.692
  569   1HB   LEU  78           HB2      LEU  78  71.166  -2.541  -2.769
  570   2HB   LEU  78           HB1      LEU  78  72.027  -1.005  -2.841
  571    HG   LEU  78           HG       LEU  78  73.673  -1.851  -1.215
  572   1HD1  LEU  78          HD13      LEU  78  71.749  -3.600  -0.447
  573   2HD1  LEU  78          HD12      LEU  78  72.709  -4.646  -1.495
  574   3HD1  LEU  78          HD11      LEU  78  73.463  -3.848  -0.114
  575   1HD2  LEU  78          HD22      LEU  78  73.201  -2.938  -3.881
  576   2HD2  LEU  78          HD21      LEU  78  74.715  -2.413  -3.143
  577   3HD2  LEU  78          HD23      LEU  78  74.126  -4.054  -2.877
  578    H    VAL  79           HN       VAL  79  72.597   0.618  -0.704
  579    HA   VAL  79           HA       VAL  79  74.235  -0.394   1.444
  580    HB   VAL  79           HB       VAL  79  73.739   2.434   0.455
  581   1HG1  VAL  79          HG11      VAL  79  74.982   2.123   2.652
  582   2HG1  VAL  79          HG13      VAL  79  76.220   1.263   1.736
  583   3HG1  VAL  79          HG12      VAL  79  75.886   2.959   1.390
  584   1HG2  VAL  79          HG21      VAL  79  74.468   0.468  -1.168
  585   2HG2  VAL  79          HG23      VAL  79  75.258   2.041  -1.262
  586   3HG2  VAL  79          HG22      VAL  79  76.039   0.713  -0.405
  587    H    MET  80           HN       MET  80  71.368   1.692   1.312
  588    HA   MET  80           HA       MET  80  71.407   2.583   4.038
  589   1HB   MET  80           HB2      MET  80  69.387   2.270   1.833
  590   2HB   MET  80           HB1      MET  80  68.841   2.739   3.444
  591   1HG   MET  80           HG2      MET  80  69.738   4.818   3.274
  592   2HG   MET  80           HG1      MET  80  71.207   4.219   2.503
  593   1HE   MET  80           HE3      MET  80  68.033   5.585   2.569
  594   2HE   MET  80           HE2      MET  80  67.935   6.515   1.076
  595   3HE   MET  80           HE1      MET  80  67.138   4.947   1.182
  596    H    MET  81           HN       MET  81  70.415  -0.425   2.535
  597    HA   MET  81           HA       MET  81  68.761  -1.390   4.712
  598   1HB   MET  81           HB2      MET  81  69.780  -2.228   2.120
  599   2HB   MET  81           HB1      MET  81  69.846  -3.553   3.281
  600   1HG   MET  81           HG2      MET  81  67.399  -1.848   2.737
  601   2HG   MET  81           HG1      MET  81  67.665  -3.467   2.088
  602   1HE   MET  81           HE1      MET  81  65.928  -4.378   2.614
  603   2HE   MET  81           HE3      MET  81  66.164  -5.597   3.874
  604   3HE   MET  81           HE2      MET  81  64.981  -4.310   4.098
  605    H    VAL  82           HN       VAL  82  72.167  -1.938   3.761
  606    HA   VAL  82           HA       VAL  82  72.758  -3.705   5.979
  607    HB   VAL  82           HB       VAL  82  75.068  -3.371   5.183
  608   1HG1  VAL  82          HG12      VAL  82  73.015  -4.481   3.770
  609   2HG1  VAL  82          HG11      VAL  82  73.623  -3.307   2.602
  610   3HG1  VAL  82          HG13      VAL  82  74.703  -4.538   3.259
  611   1HG2  VAL  82          HG23      VAL  82  74.301  -0.800   4.693
  612   2HG2  VAL  82          HG22      VAL  82  75.742  -1.539   3.995
  613   3HG2  VAL  82          HG21      VAL  82  74.246  -1.472   3.063
  614    H    ARG  83           HN       ARG  83  72.416  -0.290   5.692
  615    HA   ARG  83           HA       ARG  83  74.155   0.319   8.007
  616   1HB   ARG  83           HB2      ARG  83  74.015   1.772   5.998
  617   2HB   ARG  83           HB1      ARG  83  72.297   2.020   6.311
  618   1HG   ARG  83           HG2      ARG  83  72.745   3.163   8.370
  619   2HG   ARG  83           HG1      ARG  83  74.444   2.691   8.334
  620   1HD   ARG  83           HD2      ARG  83  74.840   4.084   6.366
  621   2HD   ARG  83           HD1      ARG  83  73.115   4.488   6.274
  622    HE   ARG  83           HE       ARG  83  73.820   5.150   8.875
  623   1HH1  ARG  83          HH21      ARG  83  73.520   6.705   6.013
  624   2HH1  ARG  83          HH22      ARG  83  74.697   7.941   6.310
  625   1HH2  ARG  83          HH11      ARG  83  75.971   6.412   9.151
  626   2HH2  ARG  83          HH12      ARG  83  76.086   7.773   8.086
  627    H    CYS  84           HN       CYS  84  71.025  -0.817   7.559
  628    HA   CYS  84           HA       CYS  84  70.058   0.482  10.085
  629   1HB   CYS  84           HB2      CYS  84  68.965   0.229   7.478
  630   2HB   CYS  84           HB1      CYS  84  68.013  -0.825   8.525
  631    HG   CYS  84           HG       CYS  84  67.278   1.174   9.912
  632    H    MET  85           HN       MET  85  71.731  -2.056   9.622
  633    HA   MET  85           HA       MET  85  69.844  -4.131  10.637
  634   1HB   MET  85           HB2      MET  85  72.643  -4.112   9.486
  635   2HB   MET  85           HB1      MET  85  71.942  -5.560  10.208
  636   1HG   MET  85           HG2      MET  85  69.905  -4.931   8.605
  637   2HG   MET  85           HG1      MET  85  71.189  -4.145   7.687
  638   1HE   MET  85           HE1      MET  85  70.303  -5.402   5.996
  639   2HE   MET  85           HE3      MET  85  71.223  -6.786   5.388
  640   3HE   MET  85           HE2      MET  85  69.701  -7.040   6.239
  641    H    LYS  86           HN       LYS  86  69.774  -4.457  12.823
  642    HA   LYS  86           HA       LYS  86  71.851  -3.269  14.558
  643   1HB   LYS  86           HB2      LYS  86  69.137  -4.538  14.873
  644   2HB   LYS  86           HB1      LYS  86  70.158  -4.273  16.287
  645   1HG   LYS  86           HG2      LYS  86  69.922  -2.003  16.200
  646   2HG   LYS  86           HG1      LYS  86  69.922  -1.971  14.436
  647   1HD   LYS  86           HD2      LYS  86  67.713  -1.326  15.258
  648   2HD   LYS  86           HD1      LYS  86  67.604  -2.893  14.453
  649   1HE   LYS  86           HE2      LYS  86  66.949  -3.923  16.369
  650   2HE   LYS  86           HE1      LYS  86  68.239  -3.144  17.308
  651   1HZ   LYS  86           HZ3      LYS  86  66.964  -1.094  17.303
  652   2HZ   LYS  86           HZ2      LYS  86  65.724  -1.835  16.408
  653   3HZ   LYS  86           HZ1      LYS  86  66.052  -2.345  17.995
  654    H    ASP  87           HN       ASP  87  70.188  -6.371  15.046
  655    HA   ASP  87           HA       ASP  87  72.818  -7.606  15.707
  656   1HB   ASP  87           HB2      ASP  87  70.697  -7.565  17.190
  657   2HB   ASP  87           HB1      ASP  87  70.056  -8.774  16.077
  658    H    ASP  88           HN       ASP  88  70.710  -7.391  13.085
  659    HA   ASP  88           HA       ASP  88  70.576  -8.614  11.067
  660   1HB   ASP  88           HB2      ASP  88  73.175  -8.559  11.911
  661   2HB   ASP  88           HB1      ASP  88  72.897 -10.298  11.813
  662    H    SER  89           HN       SER  89  69.900 -10.734  10.286
  663    HA   SER  89           HA       SER  89  69.090 -12.584  12.499
  664   1HB   SER  89           HB2      SER  89  67.086 -12.139  11.517
  665   2HB   SER  89           HB1      SER  89  67.853 -11.464  10.082
  666    HG   SER  89           HG       SER  89  66.845 -13.325   9.451
   
  No H/Q in entry =         666
  Start of MODEL   23
    1   1H    MET   1           HT3      MET   1  87.941  -0.868   5.140
    2   2H    MET   1           HT2      MET   1  88.873  -2.104   4.439
    3   3H    MET   1           HT1      MET   1  89.163  -1.622   6.042
    4    HA   MET   1           HA       MET   1  90.102   0.420   5.394
    5   1HB   MET   1           HB2      MET   1  90.858  -1.837   3.508
    6   2HB   MET   1           HB1      MET   1  91.863  -0.424   3.830
    7   1HG   MET   1           HG2      MET   1  90.945  -2.458   5.883
    8   2HG   MET   1           HG1      MET   1  92.580  -2.301   5.240
    9   1HE   MET   1           HE1      MET   1  94.119  -0.858   5.590
   10   2HE   MET   1           HE3      MET   1  94.263   0.398   6.828
   11   3HE   MET   1           HE2      MET   1  94.245  -1.302   7.291
   12    H    ASP   2           HN       ASP   2  90.562   1.970   3.632
   13    HA   ASP   2           HA       ASP   2  89.940   3.244   1.739
   14   1HB   ASP   2           HB2      ASP   2  89.747   0.412   1.081
   15   2HB   ASP   2           HB1      ASP   2  88.597   1.366   0.146
   16    H    ASP   3           HN       ASP   3  87.262   0.957   1.419
   17    HA   ASP   3           HA       ASP   3  85.390   3.119   2.334
   18   1HB   ASP   3           HB2      ASP   3  83.880   2.183   0.544
   19   2HB   ASP   3           HB1      ASP   3  85.373   2.882  -0.085
   20    H    ILE   4           HN       ILE   4  83.344   2.292   3.233
   21    HA   ILE   4           HA       ILE   4  83.604  -0.487   4.341
   22    HB   ILE   4           HB       ILE   4  82.556   0.404   6.349
   23   1HG1  ILE   4          HG12      ILE   4  82.375   3.018   4.815
   24   2HG1  ILE   4          HG11      ILE   4  81.011   1.965   5.190
   25   1HG2  ILE   4          HG23      ILE   4  85.020   0.774   5.984
   26   2HG2  ILE   4          HG22      ILE   4  84.636   2.392   5.396
   27   3HG2  ILE   4          HG21      ILE   4  84.275   1.952   7.066
   28   1HD1  ILE   4          HD12      ILE   4  81.859   2.201   7.663
   29   2HD1  ILE   4          HD11      ILE   4  82.672   3.642   7.051
   30   3HD1  ILE   4          HD13      ILE   4  80.916   3.506   6.945
   31    H    TYR   5           HN       TYR   5  81.415   1.982   3.042
   32    HA   TYR   5           HA       TYR   5  79.017   0.345   3.269
   33   1HB   TYR   5           HB2      TYR   5  79.709   2.798   1.617
   34   2HB   TYR   5           HB1      TYR   5  78.077   2.189   1.890
   35    HD1  TYR   5           HD2      TYR   5  77.192   2.059   4.264
   36    HD2  TYR   5           HD1      TYR   5  80.805   4.144   3.241
   37    HE1  TYR   5           HE2      TYR   5  77.087   3.292   6.412
   38    HE2  TYR   5           HE1      TYR   5  80.701   5.377   5.390
   39    HH   TYR   5           HH       TYR   5  78.517   5.989   7.054
   40    H    LYS   6           HN       LYS   6  81.537   0.801   0.859
   41    HA   LYS   6           HA       LYS   6  80.183  -0.261  -1.427
   42   1HB   LYS   6           HB2      LYS   6  82.691   0.754  -0.722
   43   2HB   LYS   6           HB1      LYS   6  83.025  -0.902  -1.229
   44   1HG   LYS   6           HG2      LYS   6  81.271  -0.125  -3.167
   45   2HG   LYS   6           HG1      LYS   6  82.085   1.403  -2.826
   46   1HD   LYS   6           HD2      LYS   6  84.115  -0.560  -2.884
   47   2HD   LYS   6           HD1      LYS   6  83.080  -0.888  -4.274
   48   1HE   LYS   6           HE2      LYS   6  83.672   1.980  -3.849
   49   2HE   LYS   6           HE1      LYS   6  85.073   0.985  -4.296
   50   1HZ   LYS   6           HZ2      LYS   6  83.766   0.025  -6.096
   51   2HZ   LYS   6           HZ1      LYS   6  82.445   1.014  -5.689
   52   3HZ   LYS   6           HZ3      LYS   6  83.879   1.711  -6.271
   53    H    ALA   7           HN       ALA   7  82.321  -1.863   0.964
   54    HA   ALA   7           HA       ALA   7  82.104  -4.503  -0.105
   55   1HB   ALA   7           HB2      ALA   7  83.764  -3.628   1.559
   56   2HB   ALA   7           HB1      ALA   7  82.482  -3.599   2.769
   57   3HB   ALA   7           HB3      ALA   7  83.007  -5.135   2.077
   58    H    ALA   8           HN       ALA   8  79.933  -2.607   1.892
   59    HA   ALA   8           HA       ALA   8  78.373  -4.507   3.206
   60   1HB   ALA   8           HB3      ALA   8  78.256  -1.809   2.536
   61   2HB   ALA   8           HB2      ALA   8  76.805  -2.475   1.788
   62   3HB   ALA   8           HB1      ALA   8  77.072  -2.671   3.520
   63    H    VAL   9           HN       VAL   9  77.747  -3.308  -0.124
   64    HA   VAL   9           HA       VAL   9  75.759  -5.329  -0.699
   65    HB   VAL   9           HB       VAL   9  77.448  -3.437  -2.361
   66   1HG1  VAL   9          HG13      VAL   9  76.087  -5.731  -3.275
   67   2HG1  VAL   9          HG12      VAL   9  75.033  -4.369  -3.658
   68   3HG1  VAL   9          HG11      VAL   9  76.692  -4.395  -4.255
   69   1HG2  VAL   9          HG22      VAL   9  74.545  -3.437  -1.473
   70   2HG2  VAL   9          HG21      VAL   9  75.817  -2.364  -0.888
   71   3HG2  VAL   9          HG23      VAL   9  75.261  -2.245  -2.558
   72    H    GLU  10           HN       GLU  10  79.258  -5.126  -1.096
   73    HA   GLU  10           HA       GLU  10  79.625  -7.291  -2.929
   74   1HB   GLU  10           HB2      GLU  10  81.208  -5.436  -1.964
   75   2HB   GLU  10           HB1      GLU  10  81.519  -6.612  -0.687
   76   1HG   GLU  10           HG2      GLU  10  82.718  -7.972  -2.059
   77   2HG   GLU  10           HG1      GLU  10  81.627  -7.717  -3.421
   78    H    GLN  11           HN       GLN  11  78.638  -7.251   0.373
   79    HA   GLN  11           HA       GLN  11  79.587  -9.976   0.980
   80   1HB   GLN  11           HB2      GLN  11  77.692  -8.124   2.464
   81   2HB   GLN  11           HB1      GLN  11  78.555  -9.506   3.140
   82   1HG   GLN  11           HG2      GLN  11  80.370  -7.658   1.806
   83   2HG   GLN  11           HG1      GLN  11  79.460  -6.864   3.093
   84   1HE2  GLN  11          HE22      GLN  11  82.079  -8.181   5.146
   85   2HE2  GLN  11          HE21      GLN  11  81.544  -6.789   4.333
   86    H    LEU  12           HN       LEU  12  76.879  -8.537  -0.553
   87    HA   LEU  12           HA       LEU  12  74.965 -10.663   0.160
   88   1HB   LEU  12           HB2      LEU  12  74.849  -8.416  -1.881
   89   2HB   LEU  12           HB1      LEU  12  73.475  -9.339  -1.270
   90    HG   LEU  12           HG       LEU  12  75.302  -7.612   0.427
   91   1HD1  LEU  12          HD12      LEU  12  73.295  -6.797  -1.314
   92   2HD1  LEU  12          HD11      LEU  12  72.470  -6.897   0.242
   93   3HD1  LEU  12          HD13      LEU  12  73.898  -5.876   0.063
   94   1HD2  LEU  12          HD22      LEU  12  72.922  -9.373   0.992
   95   2HD2  LEU  12          HD21      LEU  12  74.458  -9.284   1.853
   96   3HD2  LEU  12          HD23      LEU  12  73.273  -7.990   2.026
   97    H    THR  13           HN       THR  13  74.843 -12.565  -0.966
   98    HA   THR  13           HA       THR  13  76.517 -13.093  -3.273
   99    HB   THR  13           HB       THR  13  75.058 -15.239  -3.203
  100    HG1  THR  13           HG1      THR  13  74.313 -14.381  -0.667
  101   1HG2  THR  13          HG21      THR  13  77.173 -14.274  -1.567
  102   2HG2  THR  13          HG23      THR  13  76.075 -15.179  -0.524
  103   3HG2  THR  13          HG22      THR  13  76.777 -15.950  -1.946
  104    H    GLU  14           HN       GLU  14  75.280 -14.234  -5.239
  105    HA   GLU  14           HA       GLU  14  73.800 -12.204  -6.624
  106   1HB   GLU  14           HB2      GLU  14  73.592 -13.963  -8.325
  107   2HB   GLU  14           HB1      GLU  14  75.211 -14.002  -7.625
  108   1HG   GLU  14           HG2      GLU  14  74.651 -15.873  -6.226
  109   2HG   GLU  14           HG1      GLU  14  72.938 -15.738  -6.631
  110    H    GLU  15           HN       GLU  15  72.817 -14.837  -4.532
  111    HA   GLU  15           HA       GLU  15  70.026 -14.859  -5.408
  112   1HB   GLU  15           HB2      GLU  15  69.803 -16.498  -3.658
  113   2HB   GLU  15           HB1      GLU  15  71.387 -16.759  -4.390
  114   1HG   GLU  15           HG2      GLU  15  72.331 -15.232  -2.579
  115   2HG   GLU  15           HG1      GLU  15  70.760 -15.353  -1.786
  116    H    GLN  16           HN       GLN  16  71.918 -13.280  -2.873
  117    HA   GLN  16           HA       GLN  16  69.560 -12.262  -1.457
  118   1HB   GLN  16           HB2      GLN  16  72.544 -12.098  -1.288
  119   2HB   GLN  16           HB1      GLN  16  71.602 -10.864  -0.450
  120   1HG   GLN  16           HG2      GLN  16  70.236 -12.839   0.512
  121   2HG   GLN  16           HG1      GLN  16  71.581 -13.848  -0.020
  122   1HE2  GLN  16          HE22      GLN  16  72.153 -12.549   3.512
  123   2HE2  GLN  16          HE21      GLN  16  70.817 -13.312   2.792
  124    H    LYS  17           HN       LYS  17  71.948 -11.009  -3.775
  125    HA   LYS  17           HA       LYS  17  71.038  -8.262  -3.676
  126   1HB   LYS  17           HB2      LYS  17  72.642  -9.951  -5.611
  127   2HB   LYS  17           HB1      LYS  17  72.363  -8.229  -5.873
  128   1HG   LYS  17           HG2      LYS  17  73.175  -8.389  -3.206
  129   2HG   LYS  17           HG1      LYS  17  74.219  -9.536  -4.047
  130   1HD   LYS  17           HD2      LYS  17  73.743  -6.702  -5.006
  131   2HD   LYS  17           HD1      LYS  17  75.107  -7.169  -3.987
  132   1HE   LYS  17           HE2      LYS  17  76.104  -8.450  -5.677
  133   2HE   LYS  17           HE1      LYS  17  74.571  -8.674  -6.543
  134   1HZ   LYS  17           HZ1      LYS  17  75.783  -6.004  -6.131
  135   2HZ   LYS  17           HZ3      LYS  17  76.138  -6.950  -7.493
  136   3HZ   LYS  17           HZ2      LYS  17  74.543  -6.437  -7.209
  137    H    ASN  18           HN       ASN  18  70.444 -10.953  -5.967
  138    HA   ASN  18           HA       ASN  18  68.666  -9.492  -7.684
  139   1HB   ASN  18           HB2      ASN  18  69.662 -11.453  -8.528
  140   2HB   ASN  18           HB1      ASN  18  69.283 -12.378  -7.076
  141   1HD2  ASN  18          HD22      ASN  18  66.447 -13.689  -8.679
  142   2HD2  ASN  18          HD21      ASN  18  67.840 -13.977  -7.755
  143    H    GLU  19           HN       GLU  19  68.235 -11.001  -4.573
  144    HA   GLU  19           HA       GLU  19  65.384 -11.447  -4.706
  145   1HB   GLU  19           HB2      GLU  19  67.477 -11.998  -2.997
  146   2HB   GLU  19           HB1      GLU  19  66.583 -10.772  -2.099
  147   1HG   GLU  19           HG2      GLU  19  64.566 -12.389  -3.069
  148   2HG   GLU  19           HG1      GLU  19  65.845 -13.548  -2.706
  149    H    PHE  20           HN       PHE  20  67.398  -8.711  -3.634
  150    HA   PHE  20           HA       PHE  20  65.096  -7.116  -2.779
  151   1HB   PHE  20           HB2      PHE  20  68.057  -6.944  -2.905
  152   2HB   PHE  20           HB1      PHE  20  67.203  -5.402  -2.973
  153    HD1  PHE  20           HD1      PHE  20  64.852  -5.825  -1.321
  154    HD2  PHE  20           HD2      PHE  20  68.878  -7.195  -0.721
  155    HE1  PHE  20           HE1      PHE  20  64.449  -5.935   1.124
  156    HE2  PHE  20           HE2      PHE  20  68.477  -7.305   1.723
  157    HZ   PHE  20           HZ       PHE  20  66.263  -6.675   2.646
  158    H    LYS  21           HN       LYS  21  67.173  -7.336  -5.648
  159    HA   LYS  21           HA       LYS  21  66.517  -4.982  -7.016
  160   1HB   LYS  21           HB2      LYS  21  68.121  -6.770  -7.701
  161   2HB   LYS  21           HB1      LYS  21  66.751  -7.795  -8.133
  162   1HG   LYS  21           HG2      LYS  21  65.986  -5.949  -9.689
  163   2HG   LYS  21           HG1      LYS  21  67.528  -5.150  -9.383
  164   1HD   LYS  21           HD2      LYS  21  68.593  -6.511 -10.826
  165   2HD   LYS  21           HD1      LYS  21  67.946  -7.943 -10.025
  166   1HE   LYS  21           HE2      LYS  21  66.023  -7.996 -11.397
  167   2HE   LYS  21           HE1      LYS  21  66.222  -6.302 -11.888
  168   1HZ   LYS  21           HZ3      LYS  21  68.298  -6.894 -12.974
  169   2HZ   LYS  21           HZ2      LYS  21  68.102  -8.519 -12.518
  170   3HZ   LYS  21           HZ1      LYS  21  67.020  -7.805 -13.616
  171    H    ALA  22           HN       ALA  22  64.719  -8.084  -7.093
  172    HA   ALA  22           HA       ALA  22  62.623  -7.352  -8.819
  173   1HB   ALA  22           HB3      ALA  22  62.666  -9.087  -6.329
  174   2HB   ALA  22           HB2      ALA  22  61.368  -9.108  -7.523
  175   3HB   ALA  22           HB1      ALA  22  62.996  -9.610  -7.981
  176    H    ALA  23           HN       ALA  23  62.233  -7.439  -5.258
  177    HA   ALA  23           HA       ALA  23  59.890  -5.889  -5.108
  178   1HB   ALA  23           HB1      ALA  23  62.250  -6.051  -3.202
  179   2HB   ALA  23           HB3      ALA  23  60.624  -5.526  -2.763
  180   3HB   ALA  23           HB2      ALA  23  60.907  -7.191  -3.273
  181    H    PHE  24           HN       PHE  24  63.204  -4.872  -5.626
  182    HA   PHE  24           HA       PHE  24  62.813  -2.074  -4.945
  183   1HB   PHE  24           HB2      PHE  24  64.990  -3.178  -4.888
  184   2HB   PHE  24           HB1      PHE  24  64.860  -3.586  -6.599
  185    HD1  PHE  24           HD1      PHE  24  64.756  -0.621  -4.310
  186    HD2  PHE  24           HD2      PHE  24  65.776  -2.149  -8.189
  187    HE1  PHE  24           HE1      PHE  24  65.747   1.572  -4.910
  188    HE2  PHE  24           HE2      PHE  24  66.768   0.044  -8.794
  189    HZ   PHE  24           HZ       PHE  24  66.754   1.905  -7.153
  190    H    ASP  25           HN       ASP  25  63.273  -3.730  -8.098
  191    HA   ASP  25           HA       ASP  25  62.636  -1.496  -9.743
  192   1HB   ASP  25           HB2      ASP  25  63.666  -3.856 -10.208
  193   2HB   ASP  25           HB1      ASP  25  61.990  -4.355 -10.439
  194    H    ILE  26           HN       ILE  26  60.597  -3.612  -7.880
  195    HA   ILE  26           HA       ILE  26  58.149  -3.140  -9.395
  196    HB   ILE  26           HB       ILE  26  58.877  -4.300  -6.704
  197   1HG1  ILE  26          HG12      ILE  26  57.915  -5.414  -9.354
  198   2HG1  ILE  26          HG11      ILE  26  59.484  -5.678  -8.591
  199   1HG2  ILE  26          HG22      ILE  26  56.152  -3.935  -7.975
  200   2HG2  ILE  26          HG21      ILE  26  56.467  -5.112  -6.700
  201   3HG2  ILE  26          HG23      ILE  26  56.675  -3.390  -6.382
  202   1HD1  ILE  26          HD11      ILE  26  56.856  -6.506  -7.345
  203   2HD1  ILE  26          HD13      ILE  26  57.865  -7.588  -8.305
  204   3HD1  ILE  26          HD12      ILE  26  58.476  -6.923  -6.790
  205    H    PHE  27           HN       PHE  27  59.945  -0.990  -7.707
  206    HA   PHE  27           HA       PHE  27  57.530   0.577  -6.914
  207   1HB   PHE  27           HB2      PHE  27  59.852  -0.348  -5.255
  208   2HB   PHE  27           HB1      PHE  27  59.107   1.204  -4.876
  209    HD1  PHE  27           HD1      PHE  27  58.359  -2.415  -5.392
  210    HD2  PHE  27           HD2      PHE  27  57.039   1.317  -3.725
  211    HE1  PHE  27           HE1      PHE  27  56.502  -3.587  -4.241
  212    HE2  PHE  27           HE2      PHE  27  55.181   0.145  -2.573
  213    HZ   PHE  27           HZ       PHE  27  54.913  -2.307  -2.831
  214    H    VAL  28           HN       VAL  28  59.540   0.709  -9.165
  215    HA   VAL  28           HA       VAL  28  60.845   3.333  -8.543
  216    HB   VAL  28           HB       VAL  28  61.308   1.245 -10.698
  217   1HG1  VAL  28          HG11      VAL  28  62.409   3.984 -10.219
  218   2HG1  VAL  28          HG13      VAL  28  63.518   2.738 -10.791
  219   3HG1  VAL  28          HG12      VAL  28  62.092   3.153 -11.743
  220   1HG2  VAL  28          HG22      VAL  28  61.961   0.914  -8.153
  221   2HG2  VAL  28          HG21      VAL  28  63.105   0.482  -9.424
  222   3HG2  VAL  28          HG23      VAL  28  63.277   2.013  -8.567
  223    H    LEU  29           HN       LEU  29  57.951   2.817  -9.332
  224    HA   LEU  29           HA       LEU  29  57.232   3.369 -11.938
  225   1HB   LEU  29           HB2      LEU  29  55.394   4.773 -10.827
  226   2HB   LEU  29           HB1      LEU  29  55.589   3.131 -10.212
  227    HG   LEU  29           HG       LEU  29  57.313   5.088  -8.863
  228   1HD1  LEU  29          HD12      LEU  29  55.289   6.485  -9.337
  229   2HD1  LEU  29          HD11      LEU  29  54.308   5.283  -8.500
  230   3HD1  LEU  29          HD13      LEU  29  55.536   6.191  -7.617
  231   1HD2  LEU  29          HD21      LEU  29  56.127   2.580  -8.389
  232   2HD2  LEU  29          HD23      LEU  29  57.117   3.509  -7.263
  233   3HD2  LEU  29          HD22      LEU  29  55.361   3.679  -7.242
  234    H    GLY  30           HN       GLY  30  58.610   4.684 -13.167
  235   1HA   GLY  30           HA2      GLY  30  59.075   6.837 -14.092
  236   2HA   GLY  30           HA1      GLY  30  58.456   7.577 -12.613
  237    H    ALA  31           HN       ALA  31  60.001   8.478 -11.344
  238    HA   ALA  31           HA       ALA  31  62.111   8.893 -10.374
  239   1HB   ALA  31           HB1      ALA  31  61.536   6.132 -10.344
  240   2HB   ALA  31           HB3      ALA  31  63.218   6.256 -10.858
  241   3HB   ALA  31           HB2      ALA  31  62.708   6.977  -9.332
  242    H    GLU  32           HN       GLU  32  64.344   9.251 -10.991
  243    HA   GLU  32           HA       GLU  32  64.923  10.086 -13.548
  244   1HB   GLU  32           HB2      GLU  32  66.669   8.737 -11.472
  245   2HB   GLU  32           HB1      GLU  32  67.327   9.547 -12.893
  246   1HG   GLU  32           HG2      GLU  32  67.320  11.390 -11.555
  247   2HG   GLU  32           HG1      GLU  32  65.605  11.452 -11.964
  248    H    ASP  33           HN       ASP  33  65.167   6.741 -12.348
  249    HA   ASP  33           HA       ASP  33  64.793   5.613 -14.978
  250   1HB   ASP  33           HB2      ASP  33  67.300   6.657 -14.561
  251   2HB   ASP  33           HB1      ASP  33  67.534   4.973 -14.088
  252    H    GLY  34           HN       GLY  34  66.985   4.584 -12.346
  253   1HA   GLY  34           HA2      GLY  34  65.067   2.357 -11.779
  254   2HA   GLY  34           HA1      GLY  34  66.813   2.106 -11.811
  255    H    CYS  35           HN       CYS  35  64.861   4.721 -10.360
  256    HA   CYS  35           HA       CYS  35  66.060   3.986  -7.708
  257   1HB   CYS  35           HB2      CYS  35  66.029   6.499  -7.334
  258   2HB   CYS  35           HB1      CYS  35  67.146   5.956  -8.586
  259    HG   CYS  35           HG       CYS  35  65.856   7.798  -9.781
  260    H    ILE  36           HN       ILE  36  64.639   4.141  -5.929
  261    HA   ILE  36           HA       ILE  36  61.752   4.429  -6.628
  262    HB   ILE  36           HB       ILE  36  61.422   3.133  -4.589
  263   1HG1  ILE  36          HG12      ILE  36  64.419   3.364  -4.180
  264   2HG1  ILE  36          HG11      ILE  36  63.227   4.320  -3.299
  265   1HG2  ILE  36          HG21      ILE  36  63.318   2.294  -6.683
  266   2HG2  ILE  36          HG23      ILE  36  63.426   1.349  -5.197
  267   3HG2  ILE  36          HG22      ILE  36  61.891   1.465  -6.060
  268   1HD1  ILE  36          HD12      ILE  36  62.159   1.968  -2.780
  269   2HD1  ILE  36          HD11      ILE  36  63.779   1.374  -3.145
  270   3HD1  ILE  36          HD13      ILE  36  63.539   2.532  -1.838
  271    H    SER  37           HN       SER  37  60.419   5.414  -4.738
  272    HA   SER  37           HA       SER  37  61.580   8.049  -4.085
  273   1HB   SER  37           HB2      SER  37  58.946   6.739  -4.295
  274   2HB   SER  37           HB1      SER  37  59.058   7.918  -2.990
  275    HG   SER  37           HG       SER  37  58.861   9.357  -4.498
  276    H    THR  38           HN       THR  38  62.388   8.558  -2.077
  277    HA   THR  38           HA       THR  38  62.970   6.688  -0.064
  278    HB   THR  38           HB       THR  38  63.067   8.846   1.362
  279    HG1  THR  38           HG1      THR  38  62.002  10.431   0.527
  280   1HG2  THR  38          HG22      THR  38  64.773   7.781  -0.478
  281   2HG2  THR  38          HG21      THR  38  64.551   9.404  -1.132
  282   3HG2  THR  38          HG23      THR  38  65.151   9.189   0.513
  283    H    LYS  39           HN       LYS  39  60.008   8.519  -0.618
  284    HA   LYS  39           HA       LYS  39  58.806   8.004   1.969
  285   1HB   LYS  39           HB2      LYS  39  58.317   9.760   0.088
  286   2HB   LYS  39           HB1      LYS  39  57.312   8.485  -0.603
  287   1HG   LYS  39           HG2      LYS  39  55.675   9.130   0.804
  288   2HG   LYS  39           HG1      LYS  39  56.666   8.517   2.128
  289   1HD   LYS  39           HD2      LYS  39  57.158  11.268   1.010
  290   2HD   LYS  39           HD1      LYS  39  55.892  11.005   2.210
  291   1HE   LYS  39           HE2      LYS  39  58.691   9.966   2.677
  292   2HE   LYS  39           HE1      LYS  39  58.247  11.631   3.102
  293   1HZ   LYS  39           HZ1      LYS  39  56.246   9.735   3.874
  294   2HZ   LYS  39           HZ3      LYS  39  57.738   9.407   4.612
  295   3HZ   LYS  39           HZ2      LYS  39  57.013  10.932   4.803
  296    H    GLU  40           HN       GLU  40  59.061   6.204  -1.027
  297    HA   GLU  40           HA       GLU  40  56.963   4.275  -0.195
  298   1HB   GLU  40           HB2      GLU  40  58.713   4.666  -2.638
  299   2HB   GLU  40           HB1      GLU  40  57.605   3.302  -2.468
  300   1HG   GLU  40           HG2      GLU  40  55.872   5.225  -1.870
  301   2HG   GLU  40           HG1      GLU  40  56.993   6.213  -2.810
  302    H    LEU  41           HN       LEU  41  60.475   4.534  -0.506
  303    HA   LEU  41           HA       LEU  41  61.363   1.906  -0.404
  304   1HB   LEU  41           HB2      LEU  41  62.901   3.735  -0.445
  305   2HB   LEU  41           HB1      LEU  41  62.242   4.416   1.043
  306    HG   LEU  41           HG       LEU  41  63.360   1.640   1.120
  307   1HD1  LEU  41          HD13      LEU  41  64.968   4.205   1.005
  308   2HD1  LEU  41          HD12      LEU  41  65.601   2.703   1.681
  309   3HD1  LEU  41          HD11      LEU  41  65.141   2.780  -0.020
  310   1HD2  LEU  41          HD21      LEU  41  62.587   3.789   2.953
  311   2HD2  LEU  41          HD23      LEU  41  62.780   2.065   3.269
  312   3HD2  LEU  41          HD22      LEU  41  64.183   3.132   3.320
  313    H    GLY  42           HN       GLY  42  59.823   3.758   2.192
  314   1HA   GLY  42           HA2      GLY  42  60.412   2.085   4.391
  315   2HA   GLY  42           HA1      GLY  42  58.935   3.040   4.244
  316    H    LYS  43           HN       LYS  43  57.296   2.029   2.619
  317    HA   LYS  43           HA       LYS  43  56.323  -0.416   3.555
  318   1HB   LYS  43           HB2      LYS  43  55.919   1.410   1.341
  319   2HB   LYS  43           HB1      LYS  43  55.680  -0.255   0.811
  320   1HG   LYS  43           HG2      LYS  43  53.553   0.439   1.612
  321   2HG   LYS  43           HG1      LYS  43  54.229  -0.542   2.913
  322   1HD   LYS  43           HD2      LYS  43  54.353   1.221   4.330
  323   2HD   LYS  43           HD1      LYS  43  54.988   2.290   3.078
  324   1HE   LYS  43           HE2      LYS  43  52.646   2.435   2.125
  325   2HE   LYS  43           HE1      LYS  43  52.080   1.570   3.568
  326   1HZ   LYS  43           HZ2      LYS  43  53.747   4.027   3.645
  327   2HZ   LYS  43           HZ1      LYS  43  52.057   4.024   3.822
  328   3HZ   LYS  43           HZ3      LYS  43  53.030   3.237   4.968
  329    H    VAL  44           HN       VAL  44  58.777   0.173   1.083
  330    HA   VAL  44           HA       VAL  44  58.903  -2.494   0.018
  331    HB   VAL  44           HB       VAL  44  60.683  -0.065   0.143
  332   1HG1  VAL  44          HG13      VAL  44  61.532  -2.812  -0.341
  333   2HG1  VAL  44          HG12      VAL  44  61.821  -1.780  -1.742
  334   3HG1  VAL  44          HG11      VAL  44  62.508  -1.353  -0.175
  335   1HG2  VAL  44          HG23      VAL  44  59.108  -1.549  -1.962
  336   2HG2  VAL  44          HG22      VAL  44  58.949   0.133  -1.459
  337   3HG2  VAL  44          HG21      VAL  44  60.350  -0.377  -2.400
  338    H    MET  45           HN       MET  45  60.811  -0.837   2.558
  339    HA   MET  45           HA       MET  45  62.545  -3.011   3.187
  340   1HB   MET  45           HB2      MET  45  61.429  -0.670   4.751
  341   2HB   MET  45           HB1      MET  45  62.681  -1.732   5.395
  342   1HG   MET  45           HG2      MET  45  63.010  -0.464   2.684
  343   2HG   MET  45           HG1      MET  45  63.415   0.437   4.146
  344   1HE   MET  45           HE3      MET  45  65.312   0.693   4.862
  345   2HE   MET  45           HE2      MET  45  65.471  -0.637   6.008
  346   3HE   MET  45           HE1      MET  45  66.759  -0.327   4.846
  347    H    ARG  46           HN       ARG  46  59.271  -2.218   4.301
  348    HA   ARG  46           HA       ARG  46  59.235  -4.365   6.303
  349   1HB   ARG  46           HB2      ARG  46  56.925  -2.788   5.144
  350   2HB   ARG  46           HB1      ARG  46  57.040  -3.510   6.749
  351   1HG   ARG  46           HG2      ARG  46  59.240  -1.897   6.760
  352   2HG   ARG  46           HG1      ARG  46  58.143  -0.955   5.749
  353   1HD   ARG  46           HD2      ARG  46  56.425  -1.002   7.486
  354   2HD   ARG  46           HD1      ARG  46  57.435  -2.061   8.491
  355    HE   ARG  46           HE       ARG  46  59.094  -0.203   8.605
  356   1HH1  ARG  46          HH11      ARG  46  58.987   1.873   6.994
  357   2HH1  ARG  46          HH12      ARG  46  57.732   2.949   7.509
  358   1HH2  ARG  46          HH21      ARG  46  56.142   0.576   9.476
  359   2HH2  ARG  46          HH22      ARG  46  56.121   2.214   8.915
  360    H    MET  47           HN       MET  47  58.793  -4.171   2.927
  361    HA   MET  47           HA       MET  47  56.760  -6.247   2.648
  362   1HB   MET  47           HB2      MET  47  58.542  -4.569   0.958
  363   2HB   MET  47           HB1      MET  47  58.004  -6.090   0.243
  364   1HG   MET  47           HG2      MET  47  55.670  -5.504   0.655
  365   2HG   MET  47           HG1      MET  47  56.161  -4.026   1.484
  366   1HE   MET  47           HE3      MET  47  55.275  -5.804  -1.602
  367   2HE   MET  47           HE2      MET  47  56.011  -4.959  -2.962
  368   3HE   MET  47           HE1      MET  47  57.012  -5.952  -1.905
  369    H    LEU  48           HN       LEU  48  60.258  -6.156   2.926
  370    HA   LEU  48           HA       LEU  48  60.451  -9.037   2.174
  371   1HB   LEU  48           HB2      LEU  48  62.225  -6.650   2.264
  372   2HB   LEU  48           HB1      LEU  48  62.989  -8.203   2.602
  373    HG   LEU  48           HG       LEU  48  61.454  -8.845   0.438
  374   1HD1  LEU  48          HD12      LEU  48  61.156  -6.151   0.467
  375   2HD1  LEU  48          HD11      LEU  48  62.627  -6.282  -0.498
  376   3HD1  LEU  48          HD13      LEU  48  61.155  -7.103  -1.018
  377   1HD2  LEU  48          HD22      LEU  48  64.224  -8.419   1.060
  378   2HD2  LEU  48          HD21      LEU  48  63.530  -9.493  -0.154
  379   3HD2  LEU  48          HD23      LEU  48  63.918  -7.824  -0.570
  380    H    GLY  49           HN       GLY  49  60.573  -6.876   4.912
  381   1HA   GLY  49           HA2      GLY  49  60.146  -8.464   7.004
  382   2HA   GLY  49           HA1      GLY  49  61.797  -8.961   6.630
  383    H    GLN  50           HN       GLN  50  62.703  -6.335   5.788
  384    HA   GLN  50           HA       GLN  50  63.661  -5.268   8.225
  385   1HB   GLN  50           HB2      GLN  50  63.463  -4.491   5.374
  386   2HB   GLN  50           HB1      GLN  50  63.712  -3.152   6.496
  387   1HG   GLN  50           HG2      GLN  50  65.889  -3.963   5.830
  388   2HG   GLN  50           HG1      GLN  50  65.621  -4.457   7.502
  389   1HE2  GLN  50          HE22      GLN  50  65.256  -7.941   6.670
  390   2HE2  GLN  50          HE21      GLN  50  64.756  -6.765   7.787
  391    H    ASN  51           HN       ASN  51  62.618  -4.107   9.794
  392    HA   ASN  51           HA       ASN  51  60.138  -2.598   9.025
  393   1HB   ASN  51           HB2      ASN  51  60.778  -4.086  11.594
  394   2HB   ASN  51           HB1      ASN  51  59.254  -3.281  11.215
  395   1HD2  ASN  51          HD22      ASN  51  58.543  -5.769   8.564
  396   2HD2  ASN  51          HD21      ASN  51  58.632  -4.077   8.678
  397    HA   PRO  52           HA       PRO  52  63.347   0.062  11.200
  398   1HB   PRO  52           HB2      PRO  52  63.810   1.803   9.142
  399   2HB   PRO  52           HB1      PRO  52  64.741   0.310   9.371
  400   1HG   PRO  52           HG2      PRO  52  62.511   0.879   7.488
  401   2HG   PRO  52           HG1      PRO  52  63.973  -0.090   7.249
  402   1HD   PRO  52           HD2      PRO  52  61.503  -1.154   7.755
  403   2HD   PRO  52           HD1      PRO  52  63.033  -1.963   8.157
  404    H    THR  53           HN       THR  53  63.155   2.783  10.768
  405    HA   THR  53           HA       THR  53  60.213   3.348  10.960
  406    HB   THR  53           HB       THR  53  61.112   3.399  13.170
  407    HG1  THR  53           HG1      THR  53  60.149   5.243  13.339
  408   1HG2  THR  53          HG22      THR  53  63.485   4.555  11.773
  409   2HG2  THR  53          HG21      THR  53  63.205   5.025  13.450
  410   3HG2  THR  53          HG23      THR  53  63.414   3.324  13.034
  411    HA   PRO  54           HA       PRO  54  60.979   6.501   7.997
  412   1HB   PRO  54           HB2      PRO  54  58.980   8.257   8.636
  413   2HB   PRO  54           HB1      PRO  54  58.681   6.708   7.822
  414   1HG   PRO  54           HG2      PRO  54  58.323   7.444  10.681
  415   2HG   PRO  54           HG1      PRO  54  57.334   6.398   9.650
  416   1HD   PRO  54           HD2      PRO  54  59.128   5.467  11.496
  417   2HD   PRO  54           HD1      PRO  54  58.635   4.562  10.047
  418    H    GLU  55           HN       GLU  55  61.230   7.063  11.374
  419    HA   GLU  55           HA       GLU  55  61.965   9.893  11.224
  420   1HB   GLU  55           HB2      GLU  55  60.903   8.647  13.169
  421   2HB   GLU  55           HB1      GLU  55  62.464   7.866  13.422
  422   1HG   GLU  55           HG2      GLU  55  63.120  10.557  13.202
  423   2HG   GLU  55           HG1      GLU  55  61.614  10.575  14.119
  424    H    GLU  56           HN       GLU  56  63.678   6.784  11.383
  425    HA   GLU  56           HA       GLU  56  66.313   8.118  11.498
  426   1HB   GLU  56           HB2      GLU  56  65.119   5.505  11.986
  427   2HB   GLU  56           HB1      GLU  56  66.604   5.367  11.044
  428   1HG   GLU  56           HG2      GLU  56  66.382   6.985  13.596
  429   2HG   GLU  56           HG1      GLU  56  66.965   5.321  13.539
  430    H    LEU  57           HN       LEU  57  64.317   6.318   9.172
  431    HA   LEU  57           HA       LEU  57  66.224   5.935   7.109
  432   1HB   LEU  57           HB2      LEU  57  63.320   5.973   7.497
  433   2HB   LEU  57           HB1      LEU  57  63.790   6.454   5.867
  434    HG   LEU  57           HG       LEU  57  65.169   4.416   5.659
  435   1HD1  LEU  57          HD11      LEU  57  64.327   4.129   8.518
  436   2HD1  LEU  57          HD13      LEU  57  64.548   2.665   7.559
  437   3HD1  LEU  57          HD12      LEU  57  65.888   3.791   7.772
  438   1HD2  LEU  57          HD23      LEU  57  62.565   4.558   5.259
  439   2HD2  LEU  57          HD22      LEU  57  63.377   2.993   5.200
  440   3HD2  LEU  57          HD21      LEU  57  62.492   3.474   6.648
  441    H    GLN  58           HN       GLN  58  64.187   8.759   7.862
  442    HA   GLN  58           HA       GLN  58  64.967  10.288   5.527
  443   1HB   GLN  58           HB2      GLN  58  62.958  10.433   7.242
  444   2HB   GLN  58           HB1      GLN  58  64.059  11.489   8.126
  445   1HG   GLN  58           HG2      GLN  58  63.241  13.126   6.780
  446   2HG   GLN  58           HG1      GLN  58  64.321  12.439   5.565
  447   1HE2  GLN  58          HE22      GLN  58  61.362  10.368   4.396
  448   2HE2  GLN  58          HE21      GLN  58  62.798   9.950   5.200
  449    H    GLU  59           HN       GLU  59  66.143  10.090   8.880
  450    HA   GLU  59           HA       GLU  59  67.890  12.309   8.919
  451   1HB   GLU  59           HB2      GLU  59  67.198  10.191  10.544
  452   2HB   GLU  59           HB1      GLU  59  68.889   9.843  10.183
  453   1HG   GLU  59           HG2      GLU  59  68.996  12.532  10.674
  454   2HG   GLU  59           HG1      GLU  59  67.720  12.032  11.783
  455    H    MET  60           HN       MET  60  68.245   9.174   7.356
  456    HA   MET  60           HA       MET  60  71.108   9.582   6.779
  457   1HB   MET  60           HB2      MET  60  69.004   7.495   6.416
  458   2HB   MET  60           HB1      MET  60  70.384   7.446   5.318
  459   1HG   MET  60           HG2      MET  60  71.678   6.562   6.930
  460   2HG   MET  60           HG1      MET  60  71.326   7.925   7.993
  461   1HE   MET  60           HE2      MET  60  69.072   5.350   6.264
  462   2HE   MET  60           HE1      MET  60  70.357   4.310   6.872
  463   3HE   MET  60           HE3      MET  60  68.716   4.167   7.519
  464    H    ILE  61           HN       ILE  61  68.290   8.927   4.662
  465    HA   ILE  61           HA       ILE  61  69.287   9.630   2.195
  466    HB   ILE  61           HB       ILE  61  66.623  10.238   3.504
  467   1HG1  ILE  61          HG12      ILE  61  67.055   8.176   1.385
  468   2HG1  ILE  61          HG11      ILE  61  67.700   7.839   2.992
  469   1HG2  ILE  61          HG22      ILE  61  67.199  11.664   1.432
  470   2HG2  ILE  61          HG21      ILE  61  67.121  10.153   0.527
  471   3HG2  ILE  61          HG23      ILE  61  65.697  10.744   1.382
  472   1HD1  ILE  61          HD12      ILE  61  64.937   8.911   2.920
  473   2HD1  ILE  61          HD11      ILE  61  65.143   7.284   2.272
  474   3HD1  ILE  61          HD13      ILE  61  65.626   7.640   3.931
  475    H    ASP  62           HN       ASP  62  68.035  11.929   4.634
  476    HA   ASP  62           HA       ASP  62  68.130  14.354   3.327
  477   1HB   ASP  62           HB2      ASP  62  67.521  14.220   5.631
  478   2HB   ASP  62           HB1      ASP  62  69.076  13.511   6.074
  479    H    GLU  63           HN       GLU  63  70.964  12.665   4.715
  480    HA   GLU  63           HA       GLU  63  72.727  14.517   3.145
  481   1HB   GLU  63           HB2      GLU  63  74.419  13.704   4.903
  482   2HB   GLU  63           HB1      GLU  63  73.109  14.725   5.497
  483   1HG   GLU  63           HG2      GLU  63  71.937  12.889   6.417
  484   2HG   GLU  63           HG1      GLU  63  72.859  11.718   5.473
  485    H    VAL  64           HN       VAL  64  71.560  11.334   3.311
  486    HA   VAL  64           HA       VAL  64  73.994  10.046   2.245
  487    HB   VAL  64           HB       VAL  64  71.186   9.210   2.984
  488   1HG1  VAL  64          HG13      VAL  64  73.077   7.889   1.167
  489   2HG1  VAL  64          HG12      VAL  64  72.579   6.869   2.517
  490   3HG1  VAL  64          HG11      VAL  64  71.365   7.561   1.440
  491   1HG2  VAL  64          HG22      VAL  64  73.268   9.593   4.586
  492   2HG2  VAL  64          HG21      VAL  64  72.189   8.219   4.831
  493   3HG2  VAL  64          HG23      VAL  64  73.730   7.994   4.002
  494    H    ASP  65           HN       ASP  65  70.769  11.030   1.097
  495    HA   ASP  65           HA       ASP  65  71.461  10.128  -1.658
  496   1HB   ASP  65           HB2      ASP  65  69.310   9.472  -0.654
  497   2HB   ASP  65           HB1      ASP  65  68.910  11.167  -0.380
  498    H    GLU  66           HN       GLU  66  72.867  12.436  -0.616
  499    HA   GLU  66           HA       GLU  66  71.574  14.866  -1.606
  500   1HB   GLU  66           HB2      GLU  66  73.261  14.590   0.299
  501   2HB   GLU  66           HB1      GLU  66  74.490  14.385  -0.949
  502   1HG   GLU  66           HG2      GLU  66  73.374  16.616  -1.898
  503   2HG   GLU  66           HG1      GLU  66  72.936  16.825  -0.202
  504    H    ASP  67           HN       ASP  67  71.544  13.055  -3.720
  505    HA   ASP  67           HA       ASP  67  73.259  14.444  -5.688
  506   1HB   ASP  67           HB2      ASP  67  74.125  12.117  -4.431
  507   2HB   ASP  67           HB1      ASP  67  73.457  11.534  -5.955
  508    H    GLY  68           HN       GLY  68  70.303  13.758  -4.995
  509   1HA   GLY  68           HA2      GLY  68  69.519  13.240  -7.790
  510   2HA   GLY  68           HA1      GLY  68  68.962  12.056  -6.607
  511    H    SER  69           HN       SER  69  67.121  12.526  -5.471
  512    HA   SER  69           HA       SER  69  66.277  15.215  -4.811
  513   1HB   SER  69           HB2      SER  69  65.759  14.212  -7.447
  514   2HB   SER  69           HB1      SER  69  64.222  14.352  -6.597
  515    HG   SER  69           HG       SER  69  65.045  16.509  -5.971
  516    H    GLY  70           HN       GLY  70  66.464  13.008  -3.187
  517   1HA   GLY  70           HA2      GLY  70  65.121  12.040  -1.493
  518   2HA   GLY  70           HA1      GLY  70  63.691  12.662  -2.319
  519    H    THR  71           HN       THR  71  66.101  10.778  -4.024
  520    HA   THR  71           HA       THR  71  64.252   8.419  -3.997
  521    HB   THR  71           HB       THR  71  64.632   8.275  -6.449
  522    HG1  THR  71           HG1      THR  71  65.724  10.843  -6.403
  523   1HG2  THR  71          HG22      THR  71  63.044  10.121  -5.069
  524   2HG2  THR  71          HG21      THR  71  63.784  11.053  -6.371
  525   3HG2  THR  71          HG23      THR  71  62.843   9.609  -6.744
  526    H    VAL  72           HN       VAL  72  65.340   6.484  -3.752
  527    HA   VAL  72           HA       VAL  72  68.331   6.588  -3.762
  528    HB   VAL  72           HB       VAL  72  67.909   4.393  -2.417
  529   1HG1  VAL  72          HG13      VAL  72  67.778   7.213  -1.689
  530   2HG1  VAL  72          HG12      VAL  72  66.950   6.182  -0.523
  531   3HG1  VAL  72          HG11      VAL  72  68.647   5.889  -0.909
  532   1HG2  VAL  72          HG21      VAL  72  65.353   4.689  -3.193
  533   2HG2  VAL  72          HG23      VAL  72  65.786   3.926  -1.663
  534   3HG2  VAL  72          HG22      VAL  72  65.289   5.617  -1.695
  535    H    ASP  73           HN       ASP  73  69.493   4.825  -4.703
  536    HA   ASP  73           HA       ASP  73  67.961   3.322  -6.797
  537   1HB   ASP  73           HB2      ASP  73  69.843   5.102  -7.268
  538   2HB   ASP  73           HB1      ASP  73  70.936   3.805  -6.784
  539    H    PHE  74           HN       PHE  74  69.851   1.365  -7.362
  540    HA   PHE  74           HA       PHE  74  69.503  -0.480  -5.171
  541   1HB   PHE  74           HB2      PHE  74  69.785  -0.843  -7.732
  542   2HB   PHE  74           HB1      PHE  74  71.517  -0.734  -7.409
  543    HD1  PHE  74           HD1      PHE  74  68.443  -2.686  -6.818
  544    HD2  PHE  74           HD2      PHE  74  72.675  -2.444  -6.121
  545    HE1  PHE  74           HE1      PHE  74  68.453  -5.046  -6.052
  546    HE2  PHE  74           HE2      PHE  74  72.684  -4.803  -5.355
  547    HZ   PHE  74           HZ       PHE  74  70.573  -6.103  -5.321
  548    H    ASP  75           HN       ASP  75  71.848   1.952  -5.811
  549    HA   ASP  75           HA       ASP  75  73.993   0.674  -4.237
  550   1HB   ASP  75           HB2      ASP  75  74.507   2.056  -6.191
  551   2HB   ASP  75           HB1      ASP  75  73.626   3.416  -5.491
  552    H    GLU  76           HN       GLU  76  71.776   3.462  -3.917
  553    HA   GLU  76           HA       GLU  76  72.675   4.199  -1.267
  554   1HB   GLU  76           HB2      GLU  76  70.115   4.724  -2.815
  555   2HB   GLU  76           HB1      GLU  76  70.606   5.593  -1.361
  556   1HG   GLU  76           HG2      GLU  76  72.840   5.970  -2.740
  557   2HG   GLU  76           HG1      GLU  76  71.770   5.703  -4.118
  558    H    PHE  77           HN       PHE  77  69.699   2.541  -2.413
  559    HA   PHE  77           HA       PHE  77  68.453   1.964  -0.001
  560   1HB   PHE  77           HB2      PHE  77  67.821   1.385  -2.413
  561   2HB   PHE  77           HB1      PHE  77  68.842  -0.043  -2.236
  562    HD1  PHE  77           HD1      PHE  77  66.615   1.629   0.259
  563    HD2  PHE  77           HD2      PHE  77  67.358  -1.869  -2.120
  564    HE1  PHE  77           HE1      PHE  77  64.768   0.448   1.419
  565    HE2  PHE  77           HE2      PHE  77  65.511  -3.050  -0.960
  566    HZ   PHE  77           HZ       PHE  77  64.216  -1.891   0.808
  567    H    LEU  78           HN       LEU  78  70.769  -0.282  -1.581
  568    HA   LEU  78           HA       LEU  78  71.069  -2.186   0.411
  569   1HB   LEU  78           HB2      LEU  78  72.784  -0.957  -1.686
  570   2HB   LEU  78           HB1      LEU  78  73.615  -1.943  -0.483
  571    HG   LEU  78           HG       LEU  78  72.889  -3.287  -2.443
  572   1HD1  LEU  78          HD11      LEU  78  72.932  -4.117   0.020
  573   2HD1  LEU  78          HD13      LEU  78  71.174  -4.064  -0.089
  574   3HD1  LEU  78          HD12      LEU  78  72.093  -5.106  -1.174
  575   1HD2  LEU  78          HD22      LEU  78  70.818  -1.825  -2.811
  576   2HD2  LEU  78          HD21      LEU  78  70.575  -3.564  -2.976
  577   3HD2  LEU  78          HD23      LEU  78  70.065  -2.738  -1.503
  578    H    VAL  79           HN       VAL  79  72.958   0.855   0.181
  579    HA   VAL  79           HA       VAL  79  74.529   0.592   2.495
  580    HB   VAL  79           HB       VAL  79  73.191   3.004   1.231
  581   1HG1  VAL  79          HG12      VAL  79  75.510   2.850   3.181
  582   2HG1  VAL  79          HG11      VAL  79  74.987   4.309   2.341
  583   3HG1  VAL  79          HG13      VAL  79  73.920   3.537   3.515
  584   1HG2  VAL  79          HG21      VAL  79  74.768   1.523  -0.136
  585   2HG2  VAL  79          HG23      VAL  79  75.216   3.224  -0.025
  586   3HG2  VAL  79          HG22      VAL  79  76.044   2.028   0.971
  587    H    MET  80           HN       MET  80  71.313   2.167   2.257
  588    HA   MET  80           HA       MET  80  71.003   2.727   5.032
  589   1HB   MET  80           HB2      MET  80  69.255   2.388   2.624
  590   2HB   MET  80           HB1      MET  80  68.478   2.495   4.204
  591   1HG   MET  80           HG2      MET  80  69.990   4.573   4.570
  592   2HG   MET  80           HG1      MET  80  70.210   4.538   2.820
  593   1HE   MET  80           HE3      MET  80  68.597   4.913   1.113
  594   2HE   MET  80           HE2      MET  80  67.324   6.107   1.348
  595   3HE   MET  80           HE1      MET  80  68.982   6.499   1.794
  596    H    MET  81           HN       MET  81  70.623  -0.245   3.222
  597    HA   MET  81           HA       MET  81  69.014  -1.612   5.244
  598   1HB   MET  81           HB2      MET  81  69.936  -1.974   2.561
  599   2HB   MET  81           HB1      MET  81  70.418  -3.390   3.495
  600   1HG   MET  81           HG2      MET  81  68.303  -4.150   3.449
  601   2HG   MET  81           HG1      MET  81  67.758  -2.686   4.269
  602   1HE   MET  81           HE2      MET  81  68.356  -4.715   1.492
  603   2HE   MET  81           HE1      MET  81  67.064  -4.310   0.365
  604   3HE   MET  81           HE3      MET  81  68.685  -3.635   0.140
  605    H    VAL  82           HN       VAL  82  72.448  -1.726   4.233
  606    HA   VAL  82           HA       VAL  82  73.282  -3.707   6.124
  607    HB   VAL  82           HB       VAL  82  75.531  -2.792   5.569
  608   1HG1  VAL  82          HG12      VAL  82  73.541  -3.043   3.297
  609   2HG1  VAL  82          HG11      VAL  82  75.289  -3.009   3.064
  610   3HG1  VAL  82          HG13      VAL  82  74.546  -4.321   3.980
  611   1HG2  VAL  82          HG22      VAL  82  74.346  -0.377   5.473
  612   2HG2  VAL  82          HG21      VAL  82  75.842  -0.723   4.603
  613   3HG2  VAL  82          HG23      VAL  82  74.297  -0.774   3.755
  614    H    ARG  83           HN       ARG  83  72.622  -0.290   6.459
  615    HA   ARG  83           HA       ARG  83  74.035  -0.132   9.065
  616   1HB   ARG  83           HB2      ARG  83  74.124   1.667   7.322
  617   2HB   ARG  83           HB1      ARG  83  72.388   1.904   7.530
  618   1HG   ARG  83           HG2      ARG  83  72.915   3.371   9.165
  619   2HG   ARG  83           HG1      ARG  83  73.377   1.968  10.131
  620   1HD   ARG  83           HD2      ARG  83  75.674   2.180   9.545
  621   2HD   ARG  83           HD1      ARG  83  75.308   3.280   8.200
  622    HE   ARG  83           HE       ARG  83  74.325   4.309  10.731
  623   1HH1  ARG  83          HH11      ARG  83  77.283   3.639   9.132
  624   2HH1  ARG  83          HH12      ARG  83  78.025   5.142   9.570
  625   1HH2  ARG  83          HH21      ARG  83  75.188   6.392  11.125
  626   2HH2  ARG  83          HH22      ARG  83  76.838   6.700  10.698
  627    H    CYS  84           HN       CYS  84  70.750  -0.180   7.734
  628    HA   CYS  84           HA       CYS  84  69.440   0.393  10.274
  629   1HB   CYS  84           HB2      CYS  84  68.683  -0.494   7.505
  630   2HB   CYS  84           HB1      CYS  84  67.483  -0.586   8.794
  631    HG   CYS  84           HG       CYS  84  67.210   1.804   7.932
  632    H    MET  85           HN       MET  85  70.522  -2.501   8.590
  633    HA   MET  85           HA       MET  85  69.000  -4.542   9.721
  634   1HB   MET  85           HB2      MET  85  71.739  -4.146   8.704
  635   2HB   MET  85           HB1      MET  85  71.569  -5.531   9.785
  636   1HG   MET  85           HG2      MET  85  69.440  -6.052   8.343
  637   2HG   MET  85           HG1      MET  85  70.220  -5.014   7.150
  638   1HE   MET  85           HE2      MET  85  70.270  -6.376   5.550
  639   2HE   MET  85           HE1      MET  85  72.006  -6.443   5.258
  640   3HE   MET  85           HE3      MET  85  71.062  -7.936   5.343
  641    H    LYS  86           HN       LYS  86  71.692  -2.759  11.230
  642    HA   LYS  86           HA       LYS  86  72.054  -4.263  13.579
  643   1HB   LYS  86           HB2      LYS  86  72.199  -1.335  12.873
  644   2HB   LYS  86           HB1      LYS  86  72.577  -1.880  14.507
  645   1HG   LYS  86           HG2      LYS  86  73.976  -3.672  12.933
  646   2HG   LYS  86           HG1      LYS  86  74.142  -2.159  12.041
  647   1HD   LYS  86           HD2      LYS  86  75.234  -1.082  13.802
  648   2HD   LYS  86           HD1      LYS  86  74.567  -2.177  15.014
  649   1HE   LYS  86           HE2      LYS  86  76.399  -3.277  12.893
  650   2HE   LYS  86           HE1      LYS  86  77.083  -2.459  14.313
  651   1HZ   LYS  86           HZ1      LYS  86  75.257  -3.914  15.510
  652   2HZ   LYS  86           HZ3      LYS  86  75.509  -4.922  14.169
  653   3HZ   LYS  86           HZ2      LYS  86  76.809  -4.527  15.189
  654    H    ASP  87           HN       ASP  87  70.596  -4.819  15.142
  655    HA   ASP  87           HA       ASP  87  67.913  -3.955  15.300
  656   1HB   ASP  87           HB2      ASP  87  69.912  -5.249  17.123
  657   2HB   ASP  87           HB1      ASP  87  68.353  -4.768  17.794
  658    H    ASP  88           HN       ASP  88  70.362  -3.123  17.777
  659    HA   ASP  88           HA       ASP  88  70.666  -1.127  19.008
  660   1HB   ASP  88           HB2      ASP  88  70.455  -0.497  16.358
  661   2HB   ASP  88           HB1      ASP  88  69.131   0.457  17.029
  662    H    SER  89           HN       SER  89  69.349   0.610  20.150
  663    HA   SER  89           HA       SER  89  66.704  -0.491  20.885
  664   1HB   SER  89           HB2      SER  89  68.703   0.474  22.346
  665   2HB   SER  89           HB1      SER  89  67.912   2.013  22.014
  666    HG   SER  89           HG       SER  89  67.210   0.778  23.941
   
  No H/Q in entry =         666
  Start of MODEL   24
    1   1H    MET   1           HT2      MET   1  87.807   7.042   0.549
    2   2H    MET   1           HT1      MET   1  89.331   7.607   1.043
    3   3H    MET   1           HT3      MET   1  88.231   8.670   0.311
    4    HA   MET   1           HA       MET   1  88.702   7.969  -1.780
    5   1HB   MET   1           HB2      MET   1  90.810   8.362  -0.114
    6   2HB   MET   1           HB1      MET   1  91.175   6.734  -0.687
    7   1HG   MET   1           HG2      MET   1  92.018   7.672  -2.554
    8   2HG   MET   1           HG1      MET   1  90.372   8.143  -2.978
    9   1HE   MET   1           HE1      MET   1  93.316   8.819  -0.799
   10   2HE   MET   1           HE3      MET   1  93.423  10.571  -0.583
   11   3HE   MET   1           HE2      MET   1  92.207   9.645   0.293
   12    H    ASP   2           HN       ASP   2  88.921   5.390   0.604
   13    HA   ASP   2           HA       ASP   2  88.880   3.327  -1.553
   14   1HB   ASP   2           HB2      ASP   2  89.560   1.831   0.214
   15   2HB   ASP   2           HB1      ASP   2  90.508   3.307   0.398
   16    H    ASP   3           HN       ASP   3  86.746   5.051   0.430
   17    HA   ASP   3           HA       ASP   3  84.446   4.757   0.896
   18   1HB   ASP   3           HB2      ASP   3  85.129   3.148  -1.495
   19   2HB   ASP   3           HB1      ASP   3  83.621   2.697  -0.699
   20    H    ILE   4           HN       ILE   4  83.164   3.473   2.302
   21    HA   ILE   4           HA       ILE   4  84.446   0.926   3.244
   22    HB   ILE   4           HB       ILE   4  83.738   1.573   5.465
   23   1HG1  ILE   4          HG12      ILE   4  82.333   3.886   4.086
   24   2HG1  ILE   4          HG11      ILE   4  81.542   2.505   4.848
   25   1HG2  ILE   4          HG21      ILE   4  85.761   2.721   4.366
   26   2HG2  ILE   4          HG23      ILE   4  84.717   4.131   4.189
   27   3HG2  ILE   4          HG22      ILE   4  85.086   3.503   5.795
   28   1HD1  ILE   4          HD13      ILE   4  83.022   3.267   6.930
   29   2HD1  ILE   4          HD12      ILE   4  82.937   4.827   6.112
   30   3HD1  ILE   4          HD11      ILE   4  81.454   4.007   6.603
   31    H    TYR   5           HN       TYR   5  81.442   2.603   2.443
   32    HA   TYR   5           HA       TYR   5  79.618   0.555   3.315
   33   1HB   TYR   5           HB2      TYR   5  79.381   2.612   1.094
   34   2HB   TYR   5           HB1      TYR   5  78.040   1.816   1.919
   35    HD1  TYR   5           HD2      TYR   5  77.581   2.280   4.317
   36    HD2  TYR   5           HD1      TYR   5  80.597   4.417   2.130
   37    HE1  TYR   5           HE2      TYR   5  77.641   4.012   6.092
   38    HE2  TYR   5           HE1      TYR   5  80.658   6.148   3.905
   39    HH   TYR   5           HH       TYR   5  79.791   5.856   6.785
   40    H    LYS   6           HN       LYS   6  81.693   0.863   0.531
   41    HA   LYS   6           HA       LYS   6  80.401  -0.680  -1.429
   42   1HB   LYS   6           HB2      LYS   6  83.309  -0.544  -0.568
   43   2HB   LYS   6           HB1      LYS   6  82.768  -1.247  -2.092
   44   1HG   LYS   6           HG2      LYS   6  81.988   1.558  -1.302
   45   2HG   LYS   6           HG1      LYS   6  83.514   1.229  -2.123
   46   1HD   LYS   6           HD2      LYS   6  82.299   0.142  -3.969
   47   2HD   LYS   6           HD1      LYS   6  80.769   0.448  -3.149
   48   1HE   LYS   6           HE2      LYS   6  80.821   2.319  -4.520
   49   2HE   LYS   6           HE1      LYS   6  81.756   2.965  -3.156
   50   1HZ   LYS   6           HZ1      LYS   6  83.715   1.787  -4.331
   51   2HZ   LYS   6           HZ3      LYS   6  82.731   1.866  -5.710
   52   3HZ   LYS   6           HZ2      LYS   6  83.192   3.294  -4.915
   53    H    ALA   7           HN       ALA   7  82.064  -1.742   1.512
   54    HA   ALA   7           HA       ALA   7  82.146  -4.553   0.886
   55   1HB   ALA   7           HB2      ALA   7  83.103  -2.858   2.825
   56   2HB   ALA   7           HB1      ALA   7  81.848  -3.730   3.706
   57   3HB   ALA   7           HB3      ALA   7  83.159  -4.618   2.929
   58    H    ALA   8           HN       ALA   8  79.651  -2.432   2.172
   59    HA   ALA   8           HA       ALA   8  77.915  -4.222   3.455
   60   1HB   ALA   8           HB2      ALA   8  77.400  -1.871   1.609
   61   2HB   ALA   8           HB1      ALA   8  76.152  -2.610   2.611
   62   3HB   ALA   8           HB3      ALA   8  77.542  -1.831   3.366
   63    H    VAL   9           HN       VAL   9  78.097  -3.492  -0.047
   64    HA   VAL   9           HA       VAL   9  76.054  -5.439  -0.758
   65    HB   VAL   9           HB       VAL   9  78.209  -4.094  -2.422
   66   1HG1  VAL   9          HG12      VAL   9  75.706  -5.630  -3.020
   67   2HG1  VAL   9          HG11      VAL   9  76.157  -4.301  -4.089
   68   3HG1  VAL   9          HG13      VAL   9  77.260  -5.657  -3.853
   69   1HG2  VAL   9          HG23      VAL   9  75.420  -3.179  -1.648
   70   2HG2  VAL   9          HG22      VAL   9  76.940  -2.420  -1.175
   71   3HG2  VAL   9          HG21      VAL   9  76.428  -2.393  -2.862
   72    H    GLU  10           HN       GLU  10  79.590  -5.445  -0.554
   73    HA   GLU  10           HA       GLU  10  80.172  -7.812  -1.998
   74   1HB   GLU  10           HB2      GLU  10  81.817  -6.191  -1.128
   75   2HB   GLU  10           HB1      GLU  10  81.419  -6.668   0.523
   76   1HG   GLU  10           HG2      GLU  10  82.979  -8.281   0.374
   77   2HG   GLU  10           HG1      GLU  10  81.981  -9.066  -0.849
   78    H    GLN  11           HN       GLN  11  78.578  -7.385   1.062
   79    HA   GLN  11           HA       GLN  11  79.068 -10.118   2.018
   80   1HB   GLN  11           HB2      GLN  11  78.064  -7.594   2.971
   81   2HB   GLN  11           HB1      GLN  11  76.889  -8.857   3.338
   82   1HG   GLN  11           HG2      GLN  11  78.210  -9.262   5.143
   83   2HG   GLN  11           HG1      GLN  11  79.241 -10.103   3.986
   84   1HE2  GLN  11          HE22      GLN  11  81.445  -7.668   5.694
   85   2HE2  GLN  11          HE21      GLN  11  80.608  -9.084   6.113
   86    H    LEU  12           HN       LEU  12  76.353  -8.307   0.572
   87    HA   LEU  12           HA       LEU  12  74.365 -10.329   0.724
   88   1HB   LEU  12           HB2      LEU  12  74.882  -8.206  -1.384
   89   2HB   LEU  12           HB1      LEU  12  73.341  -9.021  -1.117
   90    HG   LEU  12           HG       LEU  12  74.808  -7.259   0.868
   91   1HD1  LEU  12          HD11      LEU  12  72.521  -6.897  -1.012
   92   2HD1  LEU  12          HD13      LEU  12  72.379  -6.152   0.580
   93   3HD1  LEU  12          HD12      LEU  12  73.728  -5.730  -0.474
   94   1HD2  LEU  12          HD23      LEU  12  72.758  -9.322   1.188
   95   2HD2  LEU  12          HD22      LEU  12  73.704  -8.486   2.419
   96   3HD2  LEU  12          HD21      LEU  12  72.228  -7.751   1.791
   97    H    THR  13           HN       THR  13  74.221 -12.280  -0.316
   98    HA   THR  13           HA       THR  13  76.242 -13.044  -2.303
   99    HB   THR  13           HB       THR  13  75.320 -15.232  -1.966
  100    HG1  THR  13           HG1      THR  13  73.050 -13.745  -1.344
  101   1HG2  THR  13          HG22      THR  13  76.461 -14.141   0.011
  102   2HG2  THR  13          HG21      THR  13  74.858 -13.769   0.642
  103   3HG2  THR  13          HG23      THR  13  75.354 -15.447   0.429
  104    H    GLU  14           HN       GLU  14  75.095 -14.515  -4.180
  105    HA   GLU  14           HA       GLU  14  73.799 -12.640  -5.950
  106   1HB   GLU  14           HB2      GLU  14  74.793 -15.409  -5.918
  107   2HB   GLU  14           HB1      GLU  14  73.409 -15.175  -6.986
  108   1HG   GLU  14           HG2      GLU  14  75.025 -12.938  -7.443
  109   2HG   GLU  14           HG1      GLU  14  76.158 -14.286  -7.323
  110    H    GLU  15           HN       GLU  15  72.594 -15.589  -4.301
  111    HA   GLU  15           HA       GLU  15  69.919 -15.520  -5.179
  112   1HB   GLU  15           HB2      GLU  15  71.076 -16.284  -2.477
  113   2HB   GLU  15           HB1      GLU  15  69.510 -16.809  -3.096
  114   1HG   GLU  15           HG2      GLU  15  70.471 -18.457  -4.292
  115   2HG   GLU  15           HG1      GLU  15  71.580 -17.316  -5.054
  116    H    GLN  16           HN       GLN  16  71.537 -13.541  -2.755
  117    HA   GLN  16           HA       GLN  16  69.058 -12.461  -1.632
  118   1HB   GLN  16           HB2      GLN  16  72.014 -11.851  -1.426
  119   2HB   GLN  16           HB1      GLN  16  70.804 -10.889  -0.577
  120   1HG   GLN  16           HG2      GLN  16  69.936 -12.992   0.468
  121   2HG   GLN  16           HG1      GLN  16  71.267 -13.870  -0.287
  122   1HE2  GLN  16          HE22      GLN  16  72.275 -11.104   2.598
  123   2HE2  GLN  16          HE21      GLN  16  70.966 -10.776   1.568
  124    H    LYS  17           HN       LYS  17  71.756 -10.932  -3.447
  125    HA   LYS  17           HA       LYS  17  70.674  -8.448  -4.003
  126   1HB   LYS  17           HB2      LYS  17  72.578 -10.314  -5.200
  127   2HB   LYS  17           HB1      LYS  17  71.836  -9.263  -6.408
  128   1HG   LYS  17           HG2      LYS  17  72.331  -7.409  -4.548
  129   2HG   LYS  17           HG1      LYS  17  73.596  -8.554  -4.103
  130   1HD   LYS  17           HD2      LYS  17  73.492  -8.238  -6.979
  131   2HD   LYS  17           HD1      LYS  17  73.684  -6.670  -6.193
  132   1HE   LYS  17           HE2      LYS  17  75.422  -8.263  -4.747
  133   2HE   LYS  17           HE1      LYS  17  75.603  -8.887  -6.399
  134   1HZ   LYS  17           HZ3      LYS  17  75.666  -6.014  -5.635
  135   2HZ   LYS  17           HZ2      LYS  17  77.031  -6.954  -6.008
  136   3HZ   LYS  17           HZ1      LYS  17  75.866  -6.633  -7.201
  137    H    ASN  18           HN       ASN  18  70.023 -11.460  -5.818
  138    HA   ASN  18           HA       ASN  18  68.367 -10.462  -7.855
  139   1HB   ASN  18           HB2      ASN  18  68.422 -13.011  -6.234
  140   2HB   ASN  18           HB1      ASN  18  67.284 -12.801  -7.566
  141   1HD2  ASN  18          HD22      ASN  18  70.648 -14.238  -8.720
  142   2HD2  ASN  18          HD21      ASN  18  69.684 -14.638  -7.381
  143    H    GLU  19           HN       GLU  19  67.300 -11.677  -4.648
  144    HA   GLU  19           HA       GLU  19  64.555 -11.062  -4.872
  145   1HB   GLU  19           HB2      GLU  19  66.325 -12.047  -2.982
  146   2HB   GLU  19           HB1      GLU  19  65.763 -10.549  -2.242
  147   1HG   GLU  19           HG2      GLU  19  63.433 -11.236  -2.542
  148   2HG   GLU  19           HG1      GLU  19  63.954 -12.709  -3.361
  149    H    PHE  20           HN       PHE  20  67.280  -8.977  -3.935
  150    HA   PHE  20           HA       PHE  20  65.598  -6.694  -3.255
  151   1HB   PHE  20           HB2      PHE  20  68.494  -7.371  -3.540
  152   2HB   PHE  20           HB1      PHE  20  68.054  -5.664  -3.582
  153    HD1  PHE  20           HD1      PHE  20  65.784  -7.784  -1.736
  154    HD2  PHE  20           HD2      PHE  20  69.412  -5.503  -1.423
  155    HE1  PHE  20           HE1      PHE  20  65.567  -7.777   0.731
  156    HE2  PHE  20           HE2      PHE  20  69.194  -5.498   1.047
  157    HZ   PHE  20           HZ       PHE  20  67.271  -6.634   2.125
  158    H    LYS  21           HN       LYS  21  67.493  -7.710  -6.092
  159    HA   LYS  21           HA       LYS  21  67.370  -5.386  -7.667
  160   1HB   LYS  21           HB2      LYS  21  68.624  -7.341  -8.318
  161   2HB   LYS  21           HB1      LYS  21  67.165  -8.333  -8.344
  162   1HG   LYS  21           HG2      LYS  21  66.602  -6.177 -10.051
  163   2HG   LYS  21           HG1      LYS  21  68.260  -6.641 -10.433
  164   1HD   LYS  21           HD2      LYS  21  67.164  -8.151 -11.782
  165   2HD   LYS  21           HD1      LYS  21  67.189  -9.094 -10.291
  166   1HE   LYS  21           HE2      LYS  21  64.925  -9.195 -10.490
  167   2HE   LYS  21           HE1      LYS  21  64.916  -7.480 -10.030
  168   1HZ   LYS  21           HZ3      LYS  21  65.409  -8.404 -12.805
  169   2HZ   LYS  21           HZ2      LYS  21  63.860  -7.996 -12.237
  170   3HZ   LYS  21           HZ1      LYS  21  65.088  -6.823 -12.279
  171    H    ALA  22           HN       ALA  22  64.904  -7.927  -7.251
  172    HA   ALA  22           HA       ALA  22  63.032  -6.715  -9.126
  173   1HB   ALA  22           HB3      ALA  22  63.339  -9.170  -8.270
  174   2HB   ALA  22           HB2      ALA  22  62.338  -8.641  -6.918
  175   3HB   ALA  22           HB1      ALA  22  61.706  -8.574  -8.563
  176    H    ALA  23           HN       ALA  23  62.885  -7.158  -5.561
  177    HA   ALA  23           HA       ALA  23  60.660  -5.658  -4.917
  178   1HB   ALA  23           HB1      ALA  23  63.383  -5.642  -3.572
  179   2HB   ALA  23           HB3      ALA  23  61.871  -5.171  -2.796
  180   3HB   ALA  23           HB2      ALA  23  62.112  -6.839  -3.319
  181    H    PHE  24           HN       PHE  24  63.735  -4.446  -6.106
  182    HA   PHE  24           HA       PHE  24  63.166  -1.645  -5.460
  183   1HB   PHE  24           HB2      PHE  24  65.435  -2.602  -5.529
  184   2HB   PHE  24           HB1      PHE  24  65.215  -3.022  -7.227
  185    HD1  PHE  24           HD2      PHE  24  65.136  -1.289  -8.960
  186    HD2  PHE  24           HD1      PHE  24  65.777  -0.298  -4.832
  187    HE1  PHE  24           HE2      PHE  24  65.891   0.979  -9.623
  188    HE2  PHE  24           HE1      PHE  24  66.534   1.970  -5.493
  189    HZ   PHE  24           HZ       PHE  24  66.591   2.609  -7.889
  190    H    ASP  25           HN       ASP  25  63.499  -3.485  -8.524
  191    HA   ASP  25           HA       ASP  25  62.521  -1.396 -10.223
  192   1HB   ASP  25           HB2      ASP  25  63.555  -4.012 -10.393
  193   2HB   ASP  25           HB1      ASP  25  61.978  -4.080 -11.179
  194    H    ILE  26           HN       ILE  26  60.881  -3.465  -8.024
  195    HA   ILE  26           HA       ILE  26  58.325  -3.567  -9.431
  196    HB   ILE  26           HB       ILE  26  59.348  -4.208  -6.668
  197   1HG1  ILE  26          HG12      ILE  26  58.377  -5.818  -9.045
  198   2HG1  ILE  26          HG11      ILE  26  60.017  -5.761  -8.396
  199   1HG2  ILE  26          HG23      ILE  26  56.528  -4.476  -7.755
  200   2HG2  ILE  26          HG22      ILE  26  57.104  -5.255  -6.281
  201   3HG2  ILE  26          HG21      ILE  26  57.037  -3.495  -6.379
  202   1HD1  ILE  26          HD11      ILE  26  58.616  -6.465  -6.173
  203   2HD1  ILE  26          HD13      ILE  26  57.658  -7.250  -7.428
  204   3HD1  ILE  26          HD12      ILE  26  59.374  -7.625  -7.264
  205    H    PHE  27           HN       PHE  27  59.908  -1.017  -7.980
  206    HA   PHE  27           HA       PHE  27  57.328   0.398  -7.517
  207   1HB   PHE  27           HB2      PHE  27  59.613   0.141  -5.535
  208   2HB   PHE  27           HB1      PHE  27  58.209   1.186  -5.318
  209    HD1  PHE  27           HD2      PHE  27  55.871  -0.103  -5.814
  210    HD2  PHE  27           HD1      PHE  27  59.523  -1.935  -4.491
  211    HE1  PHE  27           HE2      PHE  27  54.581  -2.018  -4.905
  212    HE2  PHE  27           HE1      PHE  27  58.235  -3.850  -3.583
  213    HZ   PHE  27           HZ       PHE  27  55.764  -3.890  -3.790
  214    H    VAL  28           HN       VAL  28  59.214   0.706  -9.667
  215    HA   VAL  28           HA       VAL  28  60.757   3.163  -9.013
  216    HB   VAL  28           HB       VAL  28  60.517   1.632 -11.612
  217   1HG1  VAL  28          HG12      VAL  28  61.941   3.973 -10.772
  218   2HG1  VAL  28          HG11      VAL  28  63.111   2.693 -11.093
  219   3HG1  VAL  28          HG13      VAL  28  61.973   3.180 -12.348
  220   1HG2  VAL  28          HG21      VAL  28  62.129   1.095  -9.126
  221   2HG2  VAL  28          HG23      VAL  28  61.229  -0.043 -10.127
  222   3HG2  VAL  28          HG22      VAL  28  62.754   0.625 -10.707
  223    H    LEU  29           HN       LEU  29  57.750   3.113  -9.157
  224    HA   LEU  29           HA       LEU  29  56.932   4.365 -11.628
  225   1HB   LEU  29           HB2      LEU  29  54.821   4.500 -10.568
  226   2HB   LEU  29           HB1      LEU  29  55.573   3.080  -9.856
  227    HG   LEU  29           HG       LEU  29  54.630   4.266  -8.032
  228   1HD1  LEU  29          HD12      LEU  29  57.566   4.959  -8.241
  229   2HD1  LEU  29          HD11      LEU  29  56.619   5.120  -6.766
  230   3HD1  LEU  29          HD13      LEU  29  56.862   3.531  -7.492
  231   1HD2  LEU  29          HD21      LEU  29  54.803   6.480  -9.655
  232   2HD2  LEU  29          HD23      LEU  29  54.329   6.510  -7.957
  233   3HD2  LEU  29          HD22      LEU  29  56.001   6.840  -8.413
  234    H    GLY  30           HN       GLY  30  58.990   5.583  -9.357
  235   1HA   GLY  30           HA2      GLY  30  58.119   8.377  -9.949
  236   2HA   GLY  30           HA1      GLY  30  58.708   7.926  -8.347
  237    H    ALA  31           HN       ALA  31  60.509   9.388  -8.526
  238    HA   ALA  31           HA       ALA  31  62.750   9.919  -9.049
  239   1HB   ALA  31           HB2      ALA  31  62.357   7.052  -9.149
  240   2HB   ALA  31           HB1      ALA  31  63.596   7.535 -10.308
  241   3HB   ALA  31           HB3      ALA  31  63.771   7.954  -8.603
  242    H    GLU  32           HN       GLU  32  64.023  10.605 -10.866
  243    HA   GLU  32           HA       GLU  32  62.516  11.020 -13.323
  244   1HB   GLU  32           HB2      GLU  32  64.612  12.212 -11.937
  245   2HB   GLU  32           HB1      GLU  32  65.395  11.555 -13.374
  246   1HG   GLU  32           HG2      GLU  32  63.554  12.630 -14.746
  247   2HG   GLU  32           HG1      GLU  32  63.041  13.456 -13.274
  248    H    ASP  33           HN       ASP  33  64.315   8.403 -12.187
  249    HA   ASP  33           HA       ASP  33  64.618   7.363 -14.962
  250   1HB   ASP  33           HB2      ASP  33  66.917   6.736 -14.504
  251   2HB   ASP  33           HB1      ASP  33  66.735   8.447 -14.118
  252    H    GLY  34           HN       GLY  34  66.264   5.173 -13.468
  253   1HA   GLY  34           HA2      GLY  34  63.889   3.554 -12.762
  254   2HA   GLY  34           HA1      GLY  34  65.516   2.929 -13.043
  255    H    CYS  35           HN       CYS  35  63.913   5.210 -10.794
  256    HA   CYS  35           HA       CYS  35  65.300   3.794  -8.548
  257   1HB   CYS  35           HB2      CYS  35  65.130   6.775  -9.093
  258   2HB   CYS  35           HB1      CYS  35  65.787   6.068  -7.617
  259    HG   CYS  35           HG       CYS  35  67.428   6.498  -9.982
  260    H    ILE  36           HN       ILE  36  64.309   4.823  -6.380
  261    HA   ILE  36           HA       ILE  36  61.339   5.035  -6.776
  262    HB   ILE  36           HB       ILE  36  61.118   3.665  -4.790
  263   1HG1  ILE  36          HG12      ILE  36  64.145   3.815  -4.614
  264   2HG1  ILE  36          HG11      ILE  36  63.019   4.648  -3.540
  265   1HG2  ILE  36          HG21      ILE  36  61.648   2.540  -6.974
  266   2HG2  ILE  36          HG23      ILE  36  63.343   2.500  -6.486
  267   3HG2  ILE  36          HG22      ILE  36  62.137   1.606  -5.561
  268   1HD1  ILE  36          HD13      ILE  36  62.145   1.998  -3.514
  269   2HD1  ILE  36          HD12      ILE  36  63.904   1.870  -3.488
  270   3HD1  ILE  36          HD11      ILE  36  63.069   2.801  -2.243
  271    H    SER  37           HN       SER  37  60.265   6.109  -4.829
  272    HA   SER  37           HA       SER  37  61.801   8.540  -4.109
  273   1HB   SER  37           HB2      SER  37  59.121   7.842  -4.718
  274   2HB   SER  37           HB1      SER  37  59.125   8.374  -3.039
  275    HG   SER  37           HG       SER  37  59.798  10.325  -3.645
  276    H    THR  38           HN       THR  38  62.338   9.069  -1.969
  277    HA   THR  38           HA       THR  38  62.817   7.001  -0.080
  278    HB   THR  38           HB       THR  38  63.201   8.952   1.446
  279    HG1  THR  38           HG1      THR  38  61.762  10.449   0.967
  280   1HG2  THR  38          HG23      THR  38  64.240   8.928  -1.373
  281   2HG2  THR  38          HG22      THR  38  64.755  10.191  -0.255
  282   3HG2  THR  38          HG21      THR  38  65.073   8.497   0.120
  283    H    LYS  39           HN       LYS  39  59.888   8.605  -0.887
  284    HA   LYS  39           HA       LYS  39  58.596   8.289   1.728
  285   1HB   LYS  39           HB2      LYS  39  58.219   9.974  -0.275
  286   2HB   LYS  39           HB1      LYS  39  57.169   8.695  -0.884
  287   1HG   LYS  39           HG2      LYS  39  56.561   8.953   1.861
  288   2HG   LYS  39           HG1      LYS  39  56.661  10.597   1.230
  289   1HD   LYS  39           HD2      LYS  39  55.261   8.789  -0.592
  290   2HD   LYS  39           HD1      LYS  39  54.475   8.900   0.983
  291   1HE   LYS  39           HE2      LYS  39  54.163  11.242   0.798
  292   2HE   LYS  39           HE1      LYS  39  55.361  11.381  -0.505
  293   1HZ   LYS  39           HZ3      LYS  39  53.743   9.587  -1.568
  294   2HZ   LYS  39           HZ2      LYS  39  52.609  10.417  -0.613
  295   3HZ   LYS  39           HZ1      LYS  39  53.512  11.252  -1.786
  296    H    GLU  40           HN       GLU  40  59.131   6.316  -1.077
  297    HA   GLU  40           HA       GLU  40  56.979   4.420  -0.213
  298   1HB   GLU  40           HB2      GLU  40  57.152   3.583  -2.512
  299   2HB   GLU  40           HB1      GLU  40  56.953   5.335  -2.535
  300   1HG   GLU  40           HG2      GLU  40  59.103   5.712  -3.258
  301   2HG   GLU  40           HG1      GLU  40  59.739   4.282  -2.445
  302    H    LEU  41           HN       LEU  41  60.433   4.821  -0.556
  303    HA   LEU  41           HA       LEU  41  61.372   2.177  -0.735
  304   1HB   LEU  41           HB2      LEU  41  62.857   4.064  -0.789
  305   2HB   LEU  41           HB1      LEU  41  62.315   4.615   0.797
  306    HG   LEU  41           HG       LEU  41  63.278   1.879   0.923
  307   1HD1  LEU  41          HD13      LEU  41  64.660   2.754  -1.010
  308   2HD1  LEU  41          HD12      LEU  41  65.311   3.967   0.092
  309   3HD1  LEU  41          HD11      LEU  41  65.601   2.253   0.395
  310   1HD2  LEU  41          HD22      LEU  41  63.034   4.026   2.594
  311   2HD2  LEU  41          HD21      LEU  41  64.052   2.628   2.937
  312   3HD2  LEU  41          HD23      LEU  41  64.759   4.082   2.234
  313    H    GLY  42           HN       GLY  42  59.849   3.825   1.972
  314   1HA   GLY  42           HA2      GLY  42  60.650   2.126   4.096
  315   2HA   GLY  42           HA1      GLY  42  59.124   3.010   4.050
  316    H    LYS  43           HN       LYS  43  57.517   1.955   2.354
  317    HA   LYS  43           HA       LYS  43  56.698  -0.563   3.310
  318   1HB   LYS  43           HB2      LYS  43  55.194  -0.510   1.419
  319   2HB   LYS  43           HB1      LYS  43  55.444   1.161   1.926
  320   1HG   LYS  43           HG2      LYS  43  57.521   0.576   0.098
  321   2HG   LYS  43           HG1      LYS  43  56.038  -0.056  -0.619
  322   1HD   LYS  43           HD2      LYS  43  56.025   2.681   0.615
  323   2HD   LYS  43           HD1      LYS  43  56.695   2.463  -1.002
  324   1HE   LYS  43           HE2      LYS  43  54.544   1.317  -1.665
  325   2HE   LYS  43           HE1      LYS  43  53.879   1.786  -0.087
  326   1HZ   LYS  43           HZ1      LYS  43  55.272   3.859  -1.584
  327   2HZ   LYS  43           HZ3      LYS  43  53.771   3.376  -2.207
  328   3HZ   LYS  43           HZ2      LYS  43  53.879   3.969  -0.619
  329    H    VAL  44           HN       VAL  44  59.212   0.214   1.039
  330    HA   VAL  44           HA       VAL  44  59.308  -2.439  -0.206
  331    HB   VAL  44           HB       VAL  44  60.845   0.142  -0.263
  332   1HG1  VAL  44          HG13      VAL  44  61.973  -2.524  -0.755
  333   2HG1  VAL  44          HG12      VAL  44  62.127  -1.439  -2.136
  334   3HG1  VAL  44          HG11      VAL  44  62.793  -0.974  -0.571
  335   1HG2  VAL  44          HG22      VAL  44  58.864  -1.176  -1.828
  336   2HG2  VAL  44          HG21      VAL  44  59.626   0.385  -2.139
  337   3HG2  VAL  44          HG23      VAL  44  60.331  -1.090  -2.803
  338    H    MET  45           HN       MET  45  60.774  -0.822   2.546
  339    HA   MET  45           HA       MET  45  62.898  -2.814   2.893
  340   1HB   MET  45           HB2      MET  45  61.793  -0.490   4.485
  341   2HB   MET  45           HB1      MET  45  63.122  -1.486   5.076
  342   1HG   MET  45           HG2      MET  45  63.573  -0.698   2.322
  343   2HG   MET  45           HG1      MET  45  63.322   0.715   3.347
  344   1HE   MET  45           HE2      MET  45  64.390   1.050   5.590
  345   2HE   MET  45           HE1      MET  45  66.149   0.985   5.652
  346   3HE   MET  45           HE3      MET  45  65.339   1.856   4.343
  347    H    ARG  46           HN       ARG  46  59.780  -2.048   4.463
  348    HA   ARG  46           HA       ARG  46  59.871  -3.959   6.557
  349   1HB   ARG  46           HB2      ARG  46  57.466  -3.104   4.917
  350   2HB   ARG  46           HB1      ARG  46  57.474  -3.612   6.607
  351   1HG   ARG  46           HG2      ARG  46  59.319  -1.573   6.617
  352   2HG   ARG  46           HG1      ARG  46  58.142  -0.997   5.436
  353   1HD   ARG  46           HD2      ARG  46  57.023  -2.173   7.936
  354   2HD   ARG  46           HD1      ARG  46  57.813  -0.590   8.082
  355    HE   ARG  46           HE       ARG  46  55.950  -0.882   5.812
  356   1HH1  ARG  46          HH21      ARG  46  57.077   1.149   8.189
  357   2HH1  ARG  46          HH22      ARG  46  55.543   1.845   8.590
  358   1HH2  ARG  46          HH11      ARG  46  53.723  -0.412   6.687
  359   2HH2  ARG  46          HH12      ARG  46  53.644   0.962   7.740
  360    H    MET  47           HN       MET  47  59.033  -4.333   3.133
  361    HA   MET  47           HA       MET  47  57.943  -6.999   3.347
  362   1HB   MET  47           HB2      MET  47  58.927  -5.126   1.237
  363   2HB   MET  47           HB1      MET  47  58.758  -6.826   0.796
  364   1HG   MET  47           HG2      MET  47  56.460  -6.820   1.089
  365   2HG   MET  47           HG1      MET  47  56.510  -5.519   2.279
  366   1HE   MET  47           HE2      MET  47  58.065  -6.299  -0.871
  367   2HE   MET  47           HE1      MET  47  56.794  -5.878  -2.016
  368   3HE   MET  47           HE3      MET  47  58.151  -4.775  -1.752
  369    H    LEU  48           HN       LEU  48  61.181  -5.727   3.299
  370    HA   LEU  48           HA       LEU  48  62.430  -8.264   2.480
  371   1HB   LEU  48           HB2      LEU  48  63.513  -5.644   3.571
  372   2HB   LEU  48           HB1      LEU  48  64.500  -6.940   2.892
  373    HG   LEU  48           HG       LEU  48  62.314  -5.446   1.412
  374   1HD1  LEU  48          HD13      LEU  48  65.340  -5.304   1.265
  375   2HD1  LEU  48          HD12      LEU  48  64.257  -4.573   0.080
  376   3HD1  LEU  48          HD11      LEU  48  64.244  -4.010   1.751
  377   1HD2  LEU  48          HD23      LEU  48  63.574  -7.980   0.958
  378   2HD2  LEU  48          HD22      LEU  48  62.401  -7.146  -0.062
  379   3HD2  LEU  48          HD21      LEU  48  64.126  -6.856  -0.284
  380    H    GLY  49           HN       GLY  49  61.557  -6.612   5.444
  381   1HA   GLY  49           HA2      GLY  49  61.397  -8.463   7.302
  382   2HA   GLY  49           HA1      GLY  49  63.139  -8.563   7.045
  383    H    GLN  50           HN       GLN  50  63.988  -6.023   6.857
  384    HA   GLN  50           HA       GLN  50  64.078  -5.041   9.500
  385   1HB   GLN  50           HB2      GLN  50  64.363  -3.563   6.861
  386   2HB   GLN  50           HB1      GLN  50  65.019  -3.030   8.411
  387   1HG   GLN  50           HG2      GLN  50  65.794  -5.490   6.828
  388   2HG   GLN  50           HG1      GLN  50  66.817  -4.118   7.255
  389   1HE2  GLN  50          HE22      GLN  50  66.308  -7.144   9.908
  390   2HE2  GLN  50          HE21      GLN  50  65.566  -7.174   8.381
  391    H    ASN  51           HN       ASN  51  62.938  -3.350  10.564
  392    HA   ASN  51           HA       ASN  51  60.628  -2.098   9.178
  393   1HB   ASN  51           HB2      ASN  51  60.562  -4.284  11.165
  394   2HB   ASN  51           HB1      ASN  51  59.483  -2.937  11.531
  395   1HD2  ASN  51          HD22      ASN  51  58.819  -5.137   8.118
  396   2HD2  ASN  51          HD21      ASN  51  60.363  -5.147   8.825
  397    HA   PRO  52           HA       PRO  52  62.866   0.361  12.512
  398   1HB   PRO  52           HB2      PRO  52  64.018   2.224  10.871
  399   2HB   PRO  52           HB1      PRO  52  64.817   0.703  11.317
  400   1HG   PRO  52           HG2      PRO  52  63.392   1.429   8.809
  401   2HG   PRO  52           HG1      PRO  52  64.854   0.457   9.037
  402   1HD   PRO  52           HD2      PRO  52  62.379  -0.606   8.566
  403   2HD   PRO  52           HD1      PRO  52  63.674  -1.458   9.435
  404    H    THR  53           HN       THR  53  62.306   2.635  13.077
  405    HA   THR  53           HA       THR  53  59.602   3.330  12.438
  406    HB   THR  53           HB       THR  53  60.928   5.613  13.401
  407    HG1  THR  53           HG1      THR  53  61.938   3.484  14.875
  408   1HG2  THR  53          HG22      THR  53  58.982   3.742  14.221
  409   2HG2  THR  53          HG21      THR  53  60.155   3.832  15.534
  410   3HG2  THR  53          HG23      THR  53  59.351   5.297  14.969
  411    HA   PRO  54           HA       PRO  54  59.971   5.813   8.845
  412   1HB   PRO  54           HB2      PRO  54  58.361   7.954   9.404
  413   2HB   PRO  54           HB1      PRO  54  57.726   6.331   9.065
  414   1HG   PRO  54           HG2      PRO  54  58.101   7.709  11.675
  415   2HG   PRO  54           HG1      PRO  54  56.792   6.645  11.138
  416   1HD   PRO  54           HD2      PRO  54  58.823   5.836  12.773
  417   2HD   PRO  54           HD1      PRO  54  57.938   4.744  11.687
  418    H    GLU  55           HN       GLU  55  60.592   7.425  11.922
  419    HA   GLU  55           HA       GLU  55  61.860   9.778  10.759
  420   1HB   GLU  55           HB2      GLU  55  60.784   9.088  13.164
  421   2HB   GLU  55           HB1      GLU  55  62.502   8.907  13.520
  422   1HG   GLU  55           HG2      GLU  55  62.612  11.254  12.229
  423   2HG   GLU  55           HG1      GLU  55  60.958  11.364  12.832
  424    H    GLU  56           HN       GLU  56  62.950   6.615  11.909
  425    HA   GLU  56           HA       GLU  56  65.775   7.236  11.950
  426   1HB   GLU  56           HB2      GLU  56  63.967   5.035  12.427
  427   2HB   GLU  56           HB1      GLU  56  65.337   4.479  11.466
  428   1HG   GLU  56           HG2      GLU  56  65.711   4.355  13.958
  429   2HG   GLU  56           HG1      GLU  56  66.909   5.320  13.095
  430    H    LEU  57           HN       LEU  57  63.517   6.394   9.425
  431    HA   LEU  57           HA       LEU  57  65.559   5.500   7.521
  432   1HB   LEU  57           HB2      LEU  57  62.635   6.278   7.268
  433   2HB   LEU  57           HB1      LEU  57  63.581   5.509   5.992
  434    HG   LEU  57           HG       LEU  57  63.302   4.296   8.747
  435   1HD1  LEU  57          HD12      LEU  57  61.485   4.173   6.360
  436   2HD1  LEU  57          HD11      LEU  57  61.672   2.744   7.375
  437   3HD1  LEU  57          HD13      LEU  57  61.071   4.248   8.072
  438   1HD2  LEU  57          HD21      LEU  57  64.795   3.694   6.370
  439   2HD2  LEU  57          HD23      LEU  57  64.762   2.807   7.894
  440   3HD2  LEU  57          HD22      LEU  57  63.603   2.419   6.622
  441    H    GLN  58           HN       GLN  58  63.484   8.402   7.871
  442    HA   GLN  58           HA       GLN  58  64.703   9.806   5.645
  443   1HB   GLN  58           HB2      GLN  58  62.449  10.295   6.368
  444   2HB   GLN  58           HB1      GLN  58  62.993  10.621   8.013
  445   1HG   GLN  58           HG2      GLN  58  62.553  12.688   6.611
  446   2HG   GLN  58           HG1      GLN  58  64.167  12.602   7.319
  447   1HE2  GLN  58          HE21      GLN  58  62.591  11.325   4.319
  448   2HE2  GLN  58          HE22      GLN  58  63.856  11.793   3.288
  449    H    GLU  59           HN       GLU  59  65.868   9.063   8.721
  450    HA   GLU  59           HA       GLU  59  67.293  11.572   9.239
  451   1HB   GLU  59           HB2      GLU  59  68.029  10.422  11.193
  452   2HB   GLU  59           HB1      GLU  59  66.403   9.805  10.896
  453   1HG   GLU  59           HG2      GLU  59  67.376   7.757  11.024
  454   2HG   GLU  59           HG1      GLU  59  67.935   8.094   9.385
  455    H    MET  60           HN       MET  60  67.856   8.704   7.379
  456    HA   MET  60           HA       MET  60  70.791   9.226   7.257
  457   1HB   MET  60           HB2      MET  60  69.142   6.966   6.084
  458   2HB   MET  60           HB1      MET  60  70.887   6.986   6.343
  459   1HG   MET  60           HG2      MET  60  70.204   7.446   8.851
  460   2HG   MET  60           HG1      MET  60  68.678   6.714   8.354
  461   1HE   MET  60           HE3      MET  60  68.380   4.770   9.359
  462   2HE   MET  60           HE2      MET  60  68.385   4.112   7.725
  463   3HE   MET  60           HE1      MET  60  69.213   3.248   9.017
  464    H    ILE  61           HN       ILE  61  67.923   8.881   5.157
  465    HA   ILE  61           HA       ILE  61  69.011   9.187   2.617
  466    HB   ILE  61           HB       ILE  61  66.541  10.404   3.889
  467   1HG1  ILE  61          HG12      ILE  61  66.727   8.027   2.034
  468   2HG1  ILE  61          HG11      ILE  61  66.942   7.850   3.776
  469   1HG2  ILE  61          HG21      ILE  61  67.325  11.511   1.716
  470   2HG2  ILE  61          HG23      ILE  61  67.012   9.963   0.933
  471   3HG2  ILE  61          HG22      ILE  61  65.693  10.846   1.702
  472   1HD1  ILE  61          HD12      ILE  61  64.593   9.455   2.995
  473   2HD1  ILE  61          HD11      ILE  61  64.516   7.762   2.506
  474   3HD1  ILE  61          HD13      ILE  61  64.733   8.181   4.206
  475    H    ASP  62           HN       ASP  62  68.580  11.685   5.096
  476    HA   ASP  62           HA       ASP  62  68.970  14.040   3.637
  477   1HB   ASP  62           HB2      ASP  62  69.786  13.068   6.370
  478   2HB   ASP  62           HB1      ASP  62  70.213  14.699   5.849
  479    H    GLU  63           HN       GLU  63  71.606  12.190   5.231
  480    HA   GLU  63           HA       GLU  63  73.643  13.603   3.659
  481   1HB   GLU  63           HB2      GLU  63  75.158  12.236   5.024
  482   2HB   GLU  63           HB1      GLU  63  73.890  12.916   6.044
  483   1HG   GLU  63           HG2      GLU  63  72.787  10.528   5.139
  484   2HG   GLU  63           HG1      GLU  63  74.477  10.118   5.438
  485    H    VAL  64           HN       VAL  64  71.776  10.708   3.325
  486    HA   VAL  64           HA       VAL  64  73.711   9.348   1.571
  487    HB   VAL  64           HB       VAL  64  70.906   8.861   2.578
  488   1HG1  VAL  64          HG11      VAL  64  72.312   7.627   0.266
  489   2HG1  VAL  64          HG13      VAL  64  71.511   6.518   1.380
  490   3HG1  VAL  64          HG12      VAL  64  70.584   7.786   0.578
  491   1HG2  VAL  64          HG21      VAL  64  72.960   8.437   4.003
  492   2HG2  VAL  64          HG23      VAL  64  71.945   7.019   3.739
  493   3HG2  VAL  64          HG22      VAL  64  73.440   7.215   2.825
  494    H    ASP  65           HN       ASP  65  70.715  11.228   1.248
  495    HA   ASP  65           HA       ASP  65  70.533  10.775  -1.645
  496   1HB   ASP  65           HB2      ASP  65  68.547  12.086  -1.436
  497   2HB   ASP  65           HB1      ASP  65  68.651  11.157   0.059
  498    H    GLU  66           HN       GLU  66  73.081  11.836  -1.021
  499    HA   GLU  66           HA       GLU  66  73.179  14.718  -1.276
  500   1HB   GLU  66           HB2      GLU  66  74.901  12.562  -0.764
  501   2HB   GLU  66           HB1      GLU  66  75.500  13.263  -2.268
  502   1HG   GLU  66           HG2      GLU  66  74.864  15.453  -0.609
  503   2HG   GLU  66           HG1      GLU  66  75.710  14.299   0.424
  504    H    ASP  67           HN       ASP  67  72.458  12.227  -3.488
  505    HA   ASP  67           HA       ASP  67  72.905  14.101  -5.784
  506   1HB   ASP  67           HB2      ASP  67  73.883  11.364  -5.243
  507   2HB   ASP  67           HB1      ASP  67  73.213  11.597  -6.858
  508    H    GLY  68           HN       GLY  68  71.128  11.285  -4.515
  509   1HA   GLY  68           HA2      GLY  68  69.225  11.048  -6.615
  510   2HA   GLY  68           HA1      GLY  68  68.947  10.537  -4.950
  511    H    SER  69           HN       SER  69  69.442  13.288  -3.920
  512    HA   SER  69           HA       SER  69  68.133  15.183  -3.390
  513   1HB   SER  69           HB2      SER  69  67.512  14.733  -6.323
  514   2HB   SER  69           HB1      SER  69  67.034  16.180  -5.441
  515    HG   SER  69           HG       SER  69  69.690  15.355  -5.241
  516    H    GLY  70           HN       GLY  70  66.975  12.672  -2.680
  517   1HA   GLY  70           HA2      GLY  70  64.777  12.408  -1.645
  518   2HA   GLY  70           HA1      GLY  70  64.088  13.363  -2.958
  519    H    THR  71           HN       THR  71  66.453  10.946  -3.740
  520    HA   THR  71           HA       THR  71  64.404   8.900  -4.361
  521    HB   THR  71           HB       THR  71  65.085   8.959  -6.779
  522    HG1  THR  71           HG1      THR  71  67.042   9.960  -6.667
  523   1HG2  THR  71          HG22      THR  71  63.086  10.206  -5.818
  524   2HG2  THR  71          HG21      THR  71  64.092  11.655  -5.835
  525   3HG2  THR  71          HG23      THR  71  63.707  10.833  -7.347
  526    H    VAL  72           HN       VAL  72  65.331   6.897  -4.122
  527    HA   VAL  72           HA       VAL  72  68.309   6.761  -3.913
  528    HB   VAL  72           HB       VAL  72  67.573   4.452  -2.866
  529   1HG1  VAL  72          HG11      VAL  72  67.294   7.194  -1.651
  530   2HG1  VAL  72          HG13      VAL  72  67.105   5.730  -0.685
  531   3HG1  VAL  72          HG12      VAL  72  68.635   6.055  -1.501
  532   1HG2  VAL  72          HG22      VAL  72  65.123   5.093  -3.665
  533   2HG2  VAL  72          HG21      VAL  72  65.379   4.249  -2.138
  534   3HG2  VAL  72          HG23      VAL  72  65.104   5.991  -2.148
  535    H    ASP  73           HN       ASP  73  69.456   5.152  -5.034
  536    HA   ASP  73           HA       ASP  73  67.988   3.908  -7.329
  537   1HB   ASP  73           HB2      ASP  73  70.958   4.419  -6.964
  538   2HB   ASP  73           HB1      ASP  73  70.122   4.032  -8.468
  539    H    PHE  74           HN       PHE  74  69.564   1.841  -8.008
  540    HA   PHE  74           HA       PHE  74  69.116  -0.127  -5.965
  541   1HB   PHE  74           HB2      PHE  74  69.320  -0.335  -8.529
  542   2HB   PHE  74           HB1      PHE  74  71.065  -0.319  -8.273
  543    HD1  PHE  74           HD1      PHE  74  68.088  -1.938  -6.642
  544    HD2  PHE  74           HD2      PHE  74  72.051  -2.420  -8.226
  545    HE1  PHE  74           HE1      PHE  74  68.028  -4.347  -6.060
  546    HE2  PHE  74           HE2      PHE  74  71.991  -4.829  -7.643
  547    HZ   PHE  74           HZ       PHE  74  69.979  -5.793  -6.560
  548    H    ASP  75           HN       ASP  75  71.680   2.123  -6.485
  549    HA   ASP  75           HA       ASP  75  73.695   0.559  -5.001
  550   1HB   ASP  75           HB2      ASP  75  75.025   2.657  -5.414
  551   2HB   ASP  75           HB1      ASP  75  74.357   1.948  -6.885
  552    H    GLU  76           HN       GLU  76  71.485   3.278  -4.438
  553    HA   GLU  76           HA       GLU  76  72.624   3.901  -1.808
  554   1HB   GLU  76           HB2      GLU  76  70.079   4.742  -3.234
  555   2HB   GLU  76           HB1      GLU  76  70.725   5.503  -1.779
  556   1HG   GLU  76           HG2      GLU  76  72.905   5.482  -3.488
  557   2HG   GLU  76           HG1      GLU  76  71.555   5.826  -4.571
  558    H    PHE  77           HN       PHE  77  69.477   2.578  -2.942
  559    HA   PHE  77           HA       PHE  77  68.263   2.015  -0.500
  560   1HB   PHE  77           HB2      PHE  77  67.269   1.657  -2.719
  561   2HB   PHE  77           HB1      PHE  77  68.385   0.325  -3.019
  562    HD1  PHE  77           HD2      PHE  77  66.963   0.941   0.318
  563    HD2  PHE  77           HD1      PHE  77  66.603  -1.330  -3.310
  564    HE1  PHE  77           HE2      PHE  77  65.408  -0.624   1.452
  565    HE2  PHE  77           HE1      PHE  77  65.048  -2.895  -2.177
  566    HZ   PHE  77           HZ       PHE  77  64.451  -2.542   0.204
  567    H    LEU  78           HN       LEU  78  70.315  -0.321  -2.299
  568    HA   LEU  78           HA       LEU  78  70.472  -2.376  -0.430
  569   1HB   LEU  78           HB2      LEU  78  72.102  -1.260  -2.612
  570   2HB   LEU  78           HB1      LEU  78  73.033  -2.203  -1.449
  571    HG   LEU  78           HG       LEU  78  70.744  -3.730  -1.823
  572   1HD1  LEU  78          HD11      LEU  78  70.484  -2.029  -3.843
  573   2HD1  LEU  78          HD13      LEU  78  71.688  -3.077  -4.591
  574   3HD1  LEU  78          HD12      LEU  78  70.143  -3.746  -4.066
  575   1HD2  LEU  78          HD22      LEU  78  73.580  -3.864  -2.311
  576   2HD2  LEU  78          HD21      LEU  78  72.456  -5.185  -1.990
  577   3HD2  LEU  78          HD23      LEU  78  72.724  -4.639  -3.645
  578    H    VAL  79           HN       VAL  79  72.626   0.487  -0.583
  579    HA   VAL  79           HA       VAL  79  74.189  -0.120   1.720
  580    HB   VAL  79           HB       VAL  79  73.349   2.493   0.425
  581   1HG1  VAL  79          HG12      VAL  79  74.181   2.815   2.747
  582   2HG1  VAL  79          HG11      VAL  79  75.651   1.937   2.323
  583   3HG1  VAL  79          HG13      VAL  79  75.291   3.481   1.549
  584   1HG2  VAL  79          HG21      VAL  79  75.809   0.737   0.136
  585   2HG2  VAL  79          HG23      VAL  79  74.543   0.959  -1.072
  586   3HG2  VAL  79          HG22      VAL  79  75.593   2.307  -0.638
  587    H    MET  80           HN       MET  80  71.321   2.019   1.428
  588    HA   MET  80           HA       MET  80  71.067   2.807   4.111
  589   1HB   MET  80           HB2      MET  80  69.083   2.190   1.914
  590   2HB   MET  80           HB1      MET  80  68.577   2.880   3.456
  591   1HG   MET  80           HG2      MET  80  69.670   4.893   3.073
  592   2HG   MET  80           HG1      MET  80  70.855   4.160   1.990
  593   1HE   MET  80           HE2      MET  80  67.586   5.514   2.727
  594   2HE   MET  80           HE1      MET  80  68.211   6.807   1.708
  595   3HE   MET  80           HE3      MET  80  66.784   5.891   1.206
  596    H    MET  81           HN       MET  81  70.570  -0.340   2.723
  597    HA   MET  81           HA       MET  81  68.827  -1.358   4.837
  598   1HB   MET  81           HB2      MET  81  69.993  -2.182   2.307
  599   2HB   MET  81           HB1      MET  81  70.122  -3.470   3.505
  600   1HG   MET  81           HG2      MET  81  67.577  -1.982   2.792
  601   2HG   MET  81           HG1      MET  81  67.986  -3.618   2.275
  602   1HE   MET  81           HE3      MET  81  66.409  -4.872   2.906
  603   2HE   MET  81           HE2      MET  81  67.451  -5.843   3.944
  604   3HE   MET  81           HE1      MET  81  65.864  -5.341   4.522
  605    H    VAL  82           HN       VAL  82  72.159  -2.306   3.895
  606    HA   VAL  82           HA       VAL  82  72.840  -3.754   6.195
  607    HB   VAL  82           HB       VAL  82  75.157  -3.229   5.518
  608   1HG1  VAL  82          HG12      VAL  82  73.024  -4.032   3.670
  609   2HG1  VAL  82          HG11      VAL  82  74.452  -3.411   2.845
  610   3HG1  VAL  82          HG13      VAL  82  74.599  -4.772   3.956
  611   1HG2  VAL  82          HG22      VAL  82  74.496  -0.742   5.124
  612   2HG2  VAL  82          HG21      VAL  82  75.695  -1.463   4.048
  613   3HG2  VAL  82          HG23      VAL  82  74.025  -1.280   3.512
  614    H    ARG  83           HN       ARG  83  72.409  -0.320   5.853
  615    HA   ARG  83           HA       ARG  83  74.041   0.613   8.015
  616   1HB   ARG  83           HB2      ARG  83  71.609   1.546   6.513
  617   2HB   ARG  83           HB1      ARG  83  72.169   2.464   7.912
  618   1HG   ARG  83           HG2      ARG  83  74.396   1.749   6.197
  619   2HG   ARG  83           HG1      ARG  83  73.165   2.630   5.290
  620   1HD   ARG  83           HD2      ARG  83  74.749   4.220   6.311
  621   2HD   ARG  83           HD1      ARG  83  73.162   4.383   7.088
  622    HE   ARG  83           HE       ARG  83  74.633   2.379   8.481
  623   1HH1  ARG  83          HH11      ARG  83  73.262   4.755   9.744
  624   2HH1  ARG  83          HH12      ARG  83  74.605   5.616  10.419
  625   1HH2  ARG  83          HH21      ARG  83  76.976   3.921   8.539
  626   2HH2  ARG  83          HH22      ARG  83  76.707   5.145   9.736
  627    H    CYS  84           HN       CYS  84  70.550  -0.212   7.927
  628    HA   CYS  84           HA       CYS  84  70.023   0.257  10.691
  629   1HB   CYS  84           HB2      CYS  84  68.500  -0.178   8.612
  630   2HB   CYS  84           HB1      CYS  84  68.688  -1.879   9.037
  631    HG   CYS  84           HG       CYS  84  67.533  -1.428  11.307
  632    H    MET  85           HN       MET  85  71.334  -2.565   8.998
  633    HA   MET  85           HA       MET  85  71.341  -4.121  11.543
  634   1HB   MET  85           HB2      MET  85  71.827  -6.000  10.039
  635   2HB   MET  85           HB1      MET  85  70.449  -5.087   9.422
  636   1HG   MET  85           HG2      MET  85  71.622  -4.266   7.622
  637   2HG   MET  85           HG1      MET  85  73.154  -4.245   8.496
  638   1HE   MET  85           HE1      MET  85  71.075  -5.403   6.110
  639   2HE   MET  85           HE3      MET  85  72.522  -5.899   5.222
  640   3HE   MET  85           HE2      MET  85  71.333  -7.102   5.718
  641    H    LYS  86           HN       LYS  86  73.470  -5.535  11.700
  642    HA   LYS  86           HA       LYS  86  75.823  -5.610  11.951
  643   1HB   LYS  86           HB2      LYS  86  75.230  -4.264   9.506
  644   2HB   LYS  86           HB1      LYS  86  76.552  -3.392  10.282
  645   1HG   LYS  86           HG2      LYS  86  76.523  -6.399   9.918
  646   2HG   LYS  86           HG1      LYS  86  77.293  -5.290   8.785
  647   1HD   LYS  86           HD2      LYS  86  78.798  -4.479  10.496
  648   2HD   LYS  86           HD1      LYS  86  77.946  -5.393  11.742
  649   1HE   LYS  86           HE2      LYS  86  78.874  -7.036   9.465
  650   2HE   LYS  86           HE1      LYS  86  80.172  -6.322  10.444
  651   1HZ   LYS  86           HZ3      LYS  86  77.806  -7.605  11.677
  652   2HZ   LYS  86           HZ2      LYS  86  79.193  -8.500  11.272
  653   3HZ   LYS  86           HZ1      LYS  86  79.296  -7.232  12.398
  654    H    ASP  87           HN       ASP  87  76.928  -4.762  13.677
  655    HA   ASP  87           HA       ASP  87  77.673  -3.195  15.285
  656   1HB   ASP  87           HB2      ASP  87  77.701  -1.991  12.788
  657   2HB   ASP  87           HB1      ASP  87  76.772  -0.852  13.764
  658    H    ASP  88           HN       ASP  88  76.485  -2.884  17.123
  659    HA   ASP  88           HA       ASP  88  74.264  -1.064  17.295
  660   1HB   ASP  88           HB2      ASP  88  73.666  -3.502  16.107
  661   2HB   ASP  88           HB1      ASP  88  73.165  -3.741  17.781
  662    H    SER  89           HN       SER  89  73.124  -1.362  19.504
  663    HA   SER  89           HA       SER  89  75.074  -2.507  21.480
  664   1HB   SER  89           HB2      SER  89  74.675  -0.598  22.814
  665   2HB   SER  89           HB1      SER  89  74.698   0.054  21.178
  666    HG   SER  89           HG       SER  89  72.852   0.831  22.005
   
  No H/Q in entry =         666
  Start of MODEL   25
    1   1H    MET   1           HT2      MET   1  81.062   7.741  -5.458
    2   2H    MET   1           HT1      MET   1  81.045   6.873  -6.918
    3   3H    MET   1           HT3      MET   1  79.942   6.485  -5.690
    4    HA   MET   1           HA       MET   1  81.642   4.829  -5.633
    5   1HB   MET   1           HB2      MET   1  83.119   6.535  -6.930
    6   2HB   MET   1           HB1      MET   1  83.632   7.078  -5.331
    7   1HG   MET   1           HG2      MET   1  84.680   5.062  -4.830
    8   2HG   MET   1           HG1      MET   1  83.677   4.144  -5.954
    9   1HE   MET   1           HE1      MET   1  85.224   2.866  -6.887
   10   2HE   MET   1           HE3      MET   1  86.527   3.290  -8.007
   11   3HE   MET   1           HE2      MET   1  86.786   3.398  -6.266
   12    H    ASP   2           HN       ASP   2  81.549   3.985  -3.590
   13    HA   ASP   2           HA       ASP   2  81.514   5.861  -1.270
   14   1HB   ASP   2           HB2      ASP   2  80.502   3.102  -1.896
   15   2HB   ASP   2           HB1      ASP   2  80.738   3.568  -0.211
   16    H    ASP   3           HN       ASP   3  82.413   4.463   0.792
   17    HA   ASP   3           HA       ASP   3  85.110   3.403   0.010
   18   1HB   ASP   3           HB2      ASP   3  84.228   5.560   1.874
   19   2HB   ASP   3           HB1      ASP   3  85.593   4.569   2.386
   20    H    ILE   4           HN       ILE   4  83.638   3.821   3.209
   21    HA   ILE   4           HA       ILE   4  84.277   1.101   3.991
   22    HB   ILE   4           HB       ILE   4  83.365   1.808   6.093
   23   1HG1  ILE   4          HG12      ILE   4  82.159   4.279   5.714
   24   2HG1  ILE   4          HG11      ILE   4  81.576   3.335   4.343
   25   1HG2  ILE   4          HG21      ILE   4  85.238   3.314   4.710
   26   2HG2  ILE   4          HG23      ILE   4  84.103   4.530   5.298
   27   3HG2  ILE   4          HG22      ILE   4  84.897   3.439   6.436
   28   1HD1  ILE   4          HD11      ILE   4  81.455   2.452   7.242
   29   2HD1  ILE   4          HD13      ILE   4  80.095   3.091   6.319
   30   3HD1  ILE   4          HD12      ILE   4  80.830   1.554   5.858
   31    H    TYR   5           HN       TYR   5  81.494   2.659   2.564
   32    HA   TYR   5           HA       TYR   5  79.523   0.674   3.332
   33   1HB   TYR   5           HB2      TYR   5  79.683   2.705   1.080
   34   2HB   TYR   5           HB1      TYR   5  78.221   1.820   1.522
   35    HD1  TYR   5           HD1      TYR   5  77.333   2.047   3.904
   36    HD2  TYR   5           HD2      TYR   5  80.327   4.653   2.263
   37    HE1  TYR   5           HE1      TYR   5  76.853   3.713   5.677
   38    HE2  TYR   5           HE2      TYR   5  79.848   6.320   4.037
   39    HH   TYR   5           HH       TYR   5  78.799   6.654   6.009
   40    H    LYS   6           HN       LYS   6  81.881   0.953   0.739
   41    HA   LYS   6           HA       LYS   6  80.920  -0.738  -1.249
   42   1HB   LYS   6           HB2      LYS   6  83.263   0.488  -0.650
   43   2HB   LYS   6           HB1      LYS   6  83.714  -1.187  -0.329
   44   1HG   LYS   6           HG2      LYS   6  83.199  -1.865  -2.547
   45   2HG   LYS   6           HG1      LYS   6  82.306  -0.379  -2.877
   46   1HD   LYS   6           HD2      LYS   6  84.469   0.888  -2.565
   47   2HD   LYS   6           HD1      LYS   6  85.297  -0.669  -2.498
   48   1HE   LYS   6           HE2      LYS   6  84.403  -1.231  -4.750
   49   2HE   LYS   6           HE1      LYS   6  83.639   0.369  -4.825
   50   1HZ   LYS   6           HZ2      LYS   6  86.470   0.203  -4.081
   51   2HZ   LYS   6           HZ1      LYS   6  86.065   0.009  -5.720
   52   3HZ   LYS   6           HZ3      LYS   6  85.642   1.435  -4.907
   53    H    ALA   7           HN       ALA   7  82.410  -1.693   1.850
   54    HA   ALA   7           HA       ALA   7  82.444  -4.517   1.392
   55   1HB   ALA   7           HB1      ALA   7  82.628  -2.594   3.639
   56   2HB   ALA   7           HB3      ALA   7  82.134  -4.226   4.091
   57   3HB   ALA   7           HB2      ALA   7  83.664  -3.967   3.251
   58    H    ALA   8           HN       ALA   8  79.835  -2.331   1.978
   59    HA   ALA   8           HA       ALA   8  77.964  -4.000   3.330
   60   1HB   ALA   8           HB2      ALA   8  77.858  -1.519   2.829
   61   2HB   ALA   8           HB1      ALA   8  77.425  -1.938   1.171
   62   3HB   ALA   8           HB3      ALA   8  76.358  -2.387   2.501
   63    H    VAL   9           HN       VAL   9  78.498  -3.517  -0.182
   64    HA   VAL   9           HA       VAL   9  76.519  -5.510  -0.946
   65    HB   VAL   9           HB       VAL   9  78.830  -4.386  -2.553
   66   1HG1  VAL   9          HG11      VAL   9  76.510  -6.026  -3.116
   67   2HG1  VAL   9          HG13      VAL   9  76.431  -4.517  -4.027
   68   3HG1  VAL   9          HG12      VAL   9  77.834  -5.573  -4.190
   69   1HG2  VAL   9          HG23      VAL   9  76.217  -3.139  -1.694
   70   2HG2  VAL   9          HG22      VAL   9  77.837  -2.446  -1.632
   71   3HG2  VAL   9          HG21      VAL   9  77.019  -2.637  -3.183
   72    H    GLU  10           HN       GLU  10  80.004  -5.505  -0.365
   73    HA   GLU  10           HA       GLU  10  80.773  -7.918  -1.602
   74   1HB   GLU  10           HB2      GLU  10  81.600  -6.405   0.870
   75   2HB   GLU  10           HB1      GLU  10  82.402  -7.919   0.448
   76   1HG   GLU  10           HG2      GLU  10  82.489  -6.724  -1.959
   77   2HG   GLU  10           HG1      GLU  10  82.478  -5.284  -0.939
   78    H    GLN  11           HN       GLN  11  79.378  -7.418   1.654
   79    HA   GLN  11           HA       GLN  11  79.425 -10.197   2.416
   80   1HB   GLN  11           HB2      GLN  11  77.618  -7.930   3.318
   81   2HB   GLN  11           HB1      GLN  11  77.990  -9.394   4.229
   82   1HG   GLN  11           HG2      GLN  11  80.501  -8.524   3.739
   83   2HG   GLN  11           HG1      GLN  11  79.655  -6.977   3.771
   84   1HE2  GLN  11          HE22      GLN  11  80.376  -7.354   7.291
   85   2HE2  GLN  11          HE21      GLN  11  81.040  -6.746   5.853
   86    H    LEU  12           HN       LEU  12  77.289  -8.298   0.419
   87    HA   LEU  12           HA       LEU  12  75.054 -10.214   0.594
   88   1HB   LEU  12           HB2      LEU  12  75.611  -7.765  -1.113
   89   2HB   LEU  12           HB1      LEU  12  74.069  -8.620  -1.061
   90    HG   LEU  12           HG       LEU  12  75.434  -7.322   1.316
   91   1HD1  LEU  12          HD11      LEU  12  73.269  -6.460  -0.578
   92   2HD1  LEU  12          HD13      LEU  12  73.189  -5.947   1.107
   93   3HD1  LEU  12          HD12      LEU  12  74.583  -5.512   0.118
   94   1HD2  LEU  12          HD21      LEU  12  72.795  -8.778   0.981
   95   2HD2  LEU  12          HD23      LEU  12  74.140  -9.238   2.024
   96   3HD2  LEU  12          HD22      LEU  12  73.194  -7.796   2.390
   97    H    THR  13           HN       THR  13  74.458 -11.632  -1.107
   98    HA   THR  13           HA       THR  13  76.517 -11.992  -3.264
   99    HB   THR  13           HB       THR  13  75.906 -14.406  -3.079
  100    HG1  THR  13           HG1      THR  13  73.934 -14.514  -2.269
  101   1HG2  THR  13          HG21      THR  13  77.160 -12.776  -1.000
  102   2HG2  THR  13          HG23      THR  13  76.548 -14.310  -0.383
  103   3HG2  THR  13          HG22      THR  13  77.703 -14.294  -1.714
  104    H    GLU  14           HN       GLU  14  75.596 -12.963  -5.288
  105    HA   GLU  14           HA       GLU  14  73.534 -11.564  -6.481
  106   1HB   GLU  14           HB2      GLU  14  75.170 -13.313  -7.410
  107   2HB   GLU  14           HB1      GLU  14  73.985 -14.523  -6.917
  108   1HG   GLU  14           HG2      GLU  14  73.732 -13.798  -9.309
  109   2HG   GLU  14           HG1      GLU  14  72.288 -13.521  -8.334
  110    H    GLU  15           HN       GLU  15  73.094 -14.819  -5.020
  111    HA   GLU  15           HA       GLU  15  70.342 -15.106  -5.232
  112   1HB   GLU  15           HB2      GLU  15  71.757 -16.807  -4.273
  113   2HB   GLU  15           HB1      GLU  15  72.250 -15.736  -2.961
  114   1HG   GLU  15           HG2      GLU  15  70.582 -17.261  -2.091
  115   2HG   GLU  15           HG1      GLU  15  69.849 -15.662  -2.213
  116    H    GLN  16           HN       GLN  16  72.095 -13.254  -2.726
  117    HA   GLN  16           HA       GLN  16  69.651 -12.383  -1.392
  118   1HB   GLN  16           HB2      GLN  16  72.598 -11.989  -1.214
  119   2HB   GLN  16           HB1      GLN  16  71.593 -10.719  -0.511
  120   1HG   GLN  16           HG2      GLN  16  71.270 -12.016   1.297
  121   2HG   GLN  16           HG1      GLN  16  70.447 -13.194   0.273
  122   1HE2  GLN  16          HE22      GLN  16  74.154 -14.011   1.667
  123   2HE2  GLN  16          HE21      GLN  16  73.320 -12.602   2.114
  124    H    LYS  17           HN       LYS  17  71.909 -10.984  -3.759
  125    HA   LYS  17           HA       LYS  17  70.753  -8.340  -3.787
  126   1HB   LYS  17           HB2      LYS  17  72.808  -9.897  -5.101
  127   2HB   LYS  17           HB1      LYS  17  71.910  -8.960  -6.296
  128   1HG   LYS  17           HG2      LYS  17  72.228  -7.135  -4.259
  129   2HG   LYS  17           HG1      LYS  17  73.744  -8.037  -4.190
  130   1HD   LYS  17           HD2      LYS  17  72.888  -7.380  -6.926
  131   2HD   LYS  17           HD1      LYS  17  73.226  -5.963  -5.929
  132   1HE   LYS  17           HE2      LYS  17  75.454  -6.332  -6.092
  133   2HE   LYS  17           HE1      LYS  17  75.256  -7.996  -5.505
  134   1HZ   LYS  17           HZ2      LYS  17  74.313  -8.464  -7.804
  135   2HZ   LYS  17           HZ1      LYS  17  75.008  -6.986  -8.276
  136   3HZ   LYS  17           HZ3      LYS  17  75.994  -8.239  -7.698
  137    H    ASN  18           HN       ASN  18  69.906 -11.374  -5.327
  138    HA   ASN  18           HA       ASN  18  68.285 -10.321  -7.460
  139   1HB   ASN  18           HB2      ASN  18  69.001 -12.551  -7.641
  140   2HB   ASN  18           HB1      ASN  18  68.606 -12.912  -5.962
  141   1HD2  ASN  18          HD22      ASN  18  65.734 -14.498  -7.309
  142   2HD2  ASN  18          HD21      ASN  18  67.249 -14.738  -6.587
  143    H    GLU  19           HN       GLU  19  67.645 -11.132  -4.065
  144    HA   GLU  19           HA       GLU  19  64.778 -10.946  -4.172
  145   1HB   GLU  19           HB2      GLU  19  66.892 -11.363  -2.289
  146   2HB   GLU  19           HB1      GLU  19  65.833 -10.108  -1.644
  147   1HG   GLU  19           HG2      GLU  19  64.085 -12.014  -2.708
  148   2HG   GLU  19           HG1      GLU  19  65.342 -12.963  -1.915
  149    H    PHE  20           HN       PHE  20  67.343  -8.553  -3.574
  150    HA   PHE  20           HA       PHE  20  65.569  -6.368  -2.918
  151   1HB   PHE  20           HB2      PHE  20  68.428  -6.600  -3.898
  152   2HB   PHE  20           HB1      PHE  20  67.698  -5.060  -3.442
  153    HD1  PHE  20           HD1      PHE  20  65.979  -5.865  -1.177
  154    HD2  PHE  20           HD2      PHE  20  69.986  -7.047  -2.172
  155    HE1  PHE  20           HE1      PHE  20  66.423  -6.358   1.209
  156    HE2  PHE  20           HE2      PHE  20  70.433  -7.538   0.217
  157    HZ   PHE  20           HZ       PHE  20  68.651  -7.195   1.908
  158    H    LYS  21           HN       LYS  21  67.063  -7.515  -5.940
  159    HA   LYS  21           HA       LYS  21  66.320  -5.349  -7.631
  160   1HB   LYS  21           HB2      LYS  21  67.861  -7.292  -8.110
  161   2HB   LYS  21           HB1      LYS  21  66.434  -8.311  -8.286
  162   1HG   LYS  21           HG2      LYS  21  66.856  -7.663 -10.498
  163   2HG   LYS  21           HG1      LYS  21  65.648  -6.485  -9.985
  164   1HD   LYS  21           HD2      LYS  21  67.336  -4.819  -9.570
  165   2HD   LYS  21           HD1      LYS  21  68.631  -5.995  -9.796
  166   1HE   LYS  21           HE2      LYS  21  68.426  -5.980 -12.104
  167   2HE   LYS  21           HE1      LYS  21  66.692  -5.608 -12.049
  168   1HZ   LYS  21           HZ2      LYS  21  68.492  -3.644 -10.869
  169   2HZ   LYS  21           HZ1      LYS  21  68.526  -3.764 -12.564
  170   3HZ   LYS  21           HZ3      LYS  21  67.070  -3.409 -11.768
  171    H    ALA  22           HN       ALA  22  64.582  -8.384  -6.871
  172    HA   ALA  22           HA       ALA  22  62.204  -7.594  -8.376
  173   1HB   ALA  22           HB2      ALA  22  63.297  -9.882  -6.927
  174   2HB   ALA  22           HB1      ALA  22  61.576  -9.668  -6.606
  175   3HB   ALA  22           HB3      ALA  22  62.147  -9.857  -8.264
  176    H    ALA  23           HN       ALA  23  63.465  -6.678  -5.382
  177    HA   ALA  23           HA       ALA  23  60.755  -6.174  -4.210
  178   1HB   ALA  23           HB3      ALA  23  62.388  -7.475  -2.878
  179   2HB   ALA  23           HB2      ALA  23  63.543  -6.148  -3.001
  180   3HB   ALA  23           HB1      ALA  23  62.040  -5.928  -2.105
  181    H    PHE  24           HN       PHE  24  63.163  -4.651  -5.982
  182    HA   PHE  24           HA       PHE  24  62.534  -1.969  -4.795
  183   1HB   PHE  24           HB2      PHE  24  64.858  -2.411  -4.609
  184   2HB   PHE  24           HB1      PHE  24  64.924  -3.170  -6.199
  185    HD1  PHE  24           HD2      PHE  24  64.530  -1.723  -8.260
  186    HD2  PHE  24           HD1      PHE  24  65.222  -0.083  -4.351
  187    HE1  PHE  24           HE2      PHE  24  65.114   0.460  -9.281
  188    HE2  PHE  24           HE1      PHE  24  65.806   2.101  -5.372
  189    HZ   PHE  24           HZ       PHE  24  65.752   2.372  -7.837
  190    H    ASP  25           HN       ASP  25  63.194  -3.634  -7.899
  191    HA   ASP  25           HA       ASP  25  62.411  -1.499  -9.622
  192   1HB   ASP  25           HB2      ASP  25  63.337  -4.144  -9.774
  193   2HB   ASP  25           HB1      ASP  25  61.793  -4.158 -10.627
  194    H    ILE  26           HN       ILE  26  60.518  -3.432  -7.532
  195    HA   ILE  26           HA       ILE  26  58.075  -3.641  -9.022
  196    HB   ILE  26           HB       ILE  26  58.740  -3.517  -6.070
  197   1HG1  ILE  26          HG12      ILE  26  58.331  -5.730  -8.093
  198   2HG1  ILE  26          HG11      ILE  26  59.750  -5.425  -7.091
  199   1HG2  ILE  26          HG21      ILE  26  56.166  -4.365  -7.439
  200   2HG2  ILE  26          HG23      ILE  26  56.507  -4.512  -5.714
  201   3HG2  ILE  26          HG22      ILE  26  56.375  -2.917  -6.455
  202   1HD1  ILE  26          HD13      ILE  26  58.419  -5.934  -5.067
  203   2HD1  ILE  26          HD12      ILE  26  57.019  -6.272  -6.084
  204   3HD1  ILE  26          HD11      ILE  26  58.449  -7.300  -6.181
  205    H    PHE  27           HN       PHE  27  59.662  -0.923  -7.662
  206    HA   PHE  27           HA       PHE  27  57.303   0.776  -8.251
  207   1HB   PHE  27           HB2      PHE  27  58.642   0.450  -5.554
  208   2HB   PHE  27           HB1      PHE  27  57.614   1.830  -5.944
  209    HD1  PHE  27           HD2      PHE  27  55.385   0.919  -7.372
  210    HD2  PHE  27           HD1      PHE  27  57.538  -1.164  -4.294
  211    HE1  PHE  27           HE2      PHE  27  53.370  -0.443  -6.884
  212    HE2  PHE  27           HE1      PHE  27  55.524  -2.526  -3.806
  213    HZ   PHE  27           HZ       PHE  27  53.440  -2.165  -5.101
  214    H    VAL  28           HN       VAL  28  59.517   0.813  -9.814
  215    HA   VAL  28           HA       VAL  28  61.565   2.645  -8.861
  216    HB   VAL  28           HB       VAL  28  60.800   1.295 -11.436
  217   1HG1  VAL  28          HG11      VAL  28  62.750   3.574 -11.086
  218   2HG1  VAL  28          HG13      VAL  28  62.949   2.381 -12.368
  219   3HG1  VAL  28          HG12      VAL  28  61.500   3.384 -12.314
  220   1HG2  VAL  28          HG23      VAL  28  62.222   0.351  -9.432
  221   2HG2  VAL  28          HG22      VAL  28  62.751   0.057 -11.090
  222   3HG2  VAL  28          HG21      VAL  28  63.509   1.332 -10.134
  223    H    LEU  29           HN       LEU  29  58.430   3.019 -10.018
  224    HA   LEU  29           HA       LEU  29  57.256   4.857 -11.005
  225   1HB   LEU  29           HB2      LEU  29  58.612   5.393  -8.483
  226   2HB   LEU  29           HB1      LEU  29  58.324   6.880  -9.388
  227    HG   LEU  29           HG       LEU  29  55.940   5.589  -9.736
  228   1HD1  LEU  29          HD11      LEU  29  56.856   3.830  -8.099
  229   2HD1  LEU  29          HD13      LEU  29  56.695   5.069  -6.856
  230   3HD1  LEU  29          HD12      LEU  29  55.270   4.506  -7.727
  231   1HD2  LEU  29          HD22      LEU  29  56.287   7.936  -9.031
  232   2HD2  LEU  29          HD21      LEU  29  55.082   7.142  -8.018
  233   3HD2  LEU  29          HD23      LEU  29  56.721   7.384  -7.413
  234    H    GLY  30           HN       GLY  30  59.867   4.291 -12.342
  235   1HA   GLY  30           HA2      GLY  30  61.117   5.327 -14.047
  236   2HA   GLY  30           HA1      GLY  30  60.083   6.745 -13.859
  237    H    ALA  31           HN       ALA  31  60.677   8.351 -12.311
  238    HA   ALA  31           HA       ALA  31  62.348   9.752 -11.363
  239   1HB   ALA  31           HB2      ALA  31  62.195   7.106 -10.008
  240   2HB   ALA  31           HB1      ALA  31  63.542   8.148  -9.545
  241   3HB   ALA  31           HB3      ALA  31  61.882   8.717  -9.363
  242    H    GLU  32           HN       GLU  32  63.810  10.128 -13.113
  243    HA   GLU  32           HA       GLU  32  65.943  10.096 -14.127
  244   1HB   GLU  32           HB2      GLU  32  66.168   9.055 -11.437
  245   2HB   GLU  32           HB1      GLU  32  67.316   8.233 -12.496
  246   1HG   GLU  32           HG2      GLU  32  67.004  11.243 -12.392
  247   2HG   GLU  32           HG1      GLU  32  68.200  10.356 -11.446
  248    H    ASP  33           HN       ASP  33  65.899   6.804 -12.787
  249    HA   ASP  33           HA       ASP  33  64.950   5.371 -15.031
  250   1HB   ASP  33           HB2      ASP  33  66.638   6.349 -16.382
  251   2HB   ASP  33           HB1      ASP  33  67.853   6.205 -15.113
  252    H    GLY  34           HN       GLY  34  64.425   4.427 -12.761
  253   1HA   GLY  34           HA2      GLY  34  64.734   2.153 -11.873
  254   2HA   GLY  34           HA1      GLY  34  66.466   2.335 -12.151
  255    H    CYS  35           HN       CYS  35  64.216   4.623 -10.616
  256    HA   CYS  35           HA       CYS  35  65.690   4.238  -8.037
  257   1HB   CYS  35           HB2      CYS  35  64.902   6.885  -9.288
  258   2HB   CYS  35           HB1      CYS  35  65.899   6.646  -7.855
  259    HG   CYS  35           HG       CYS  35  67.317   5.201  -9.974
  260    H    ILE  36           HN       ILE  36  64.383   4.611  -6.173
  261    HA   ILE  36           HA       ILE  36  61.448   4.843  -6.741
  262    HB   ILE  36           HB       ILE  36  61.183   3.508  -4.728
  263   1HG1  ILE  36          HG12      ILE  36  64.195   3.590  -4.412
  264   2HG1  ILE  36          HG11      ILE  36  63.115   4.685  -3.548
  265   1HG2  ILE  36          HG21      ILE  36  63.472   2.471  -6.428
  266   2HG2  ILE  36          HG23      ILE  36  62.462   1.486  -5.370
  267   3HG2  ILE  36          HG22      ILE  36  61.754   2.276  -6.779
  268   1HD1  ILE  36          HD12      ILE  36  61.916   2.266  -3.080
  269   2HD1  ILE  36          HD11      ILE  36  63.620   1.812  -3.111
  270   3HD1  ILE  36          HD13      ILE  36  63.056   3.041  -1.979
  271    H    SER  37           HN       SER  37  60.206   5.904  -4.905
  272    HA   SER  37           HA       SER  37  61.475   8.459  -4.202
  273   1HB   SER  37           HB2      SER  37  59.053   7.944  -4.979
  274   2HB   SER  37           HB1      SER  37  58.779   7.419  -3.320
  275    HG   SER  37           HG       SER  37  60.049   9.870  -3.736
  276    H    THR  38           HN       THR  38  62.041   9.097  -2.092
  277    HA   THR  38           HA       THR  38  62.936   7.190  -0.215
  278    HB   THR  38           HB       THR  38  62.704   9.286   1.338
  279    HG1  THR  38           HG1      THR  38  62.077  11.104   0.345
  280   1HG2  THR  38          HG22      THR  38  64.314   9.033  -1.186
  281   2HG2  THR  38          HG21      THR  38  64.477  10.473  -0.180
  282   3HG2  THR  38          HG23      THR  38  64.844   8.883   0.489
  283    H    LYS  39           HN       LYS  39  59.744   8.616  -0.642
  284    HA   LYS  39           HA       LYS  39  58.697   7.748   1.938
  285   1HB   LYS  39           HB2      LYS  39  56.591   8.543   0.977
  286   2HB   LYS  39           HB1      LYS  39  57.879   9.679   0.572
  287   1HG   LYS  39           HG2      LYS  39  58.116   8.659  -1.644
  288   2HG   LYS  39           HG1      LYS  39  56.880   7.466  -1.245
  289   1HD   LYS  39           HD2      LYS  39  55.231   9.286  -0.942
  290   2HD   LYS  39           HD1      LYS  39  56.466  10.468  -1.376
  291   1HE   LYS  39           HE2      LYS  39  56.227   8.288  -3.337
  292   2HE   LYS  39           HE1      LYS  39  54.756   9.268  -3.182
  293   1HZ   LYS  39           HZ3      LYS  39  57.460  10.466  -3.355
  294   2HZ   LYS  39           HZ2      LYS  39  56.510  10.172  -4.732
  295   3HZ   LYS  39           HZ1      LYS  39  55.962  11.243  -3.532
  296    H    GLU  40           HN       GLU  40  59.361   6.168  -1.030
  297    HA   GLU  40           HA       GLU  40  57.253   4.119  -0.718
  298   1HB   GLU  40           HB2      GLU  40  59.481   4.725  -2.665
  299   2HB   GLU  40           HB1      GLU  40  58.578   3.212  -2.757
  300   1HG   GLU  40           HG2      GLU  40  57.041   5.772  -2.552
  301   2HG   GLU  40           HG1      GLU  40  57.771   5.352  -4.102
  302    H    LEU  41           HN       LEU  41  60.780   4.425  -0.356
  303    HA   LEU  41           HA       LEU  41  61.629   1.819   0.011
  304   1HB   LEU  41           HB2      LEU  41  62.583   4.347   0.487
  305   2HB   LEU  41           HB1      LEU  41  62.481   3.702   2.126
  306    HG   LEU  41           HG       LEU  41  63.982   2.518  -0.223
  307   1HD1  LEU  41          HD12      LEU  41  64.674   4.238   1.977
  308   2HD1  LEU  41          HD11      LEU  41  65.510   2.697   2.162
  309   3HD1  LEU  41          HD13      LEU  41  65.710   3.637   0.683
  310   1HD2  LEU  41          HD23      LEU  41  62.985   1.315   2.317
  311   2HD2  LEU  41          HD22      LEU  41  63.282   0.554   0.754
  312   3HD2  LEU  41          HD21      LEU  41  64.632   0.907   1.832
  313    H    GLY  42           HN       GLY  42  59.856   3.813   2.384
  314   1HA   GLY  42           HA2      GLY  42  59.937   2.165   4.629
  315   2HA   GLY  42           HA1      GLY  42  58.517   3.117   4.195
  316    H    LYS  43           HN       LYS  43  57.405   2.008   2.092
  317    HA   LYS  43           HA       LYS  43  56.152  -0.372   2.960
  318   1HB   LYS  43           HB2      LYS  43  56.006   1.444   0.851
  319   2HB   LYS  43           HB1      LYS  43  56.381  -0.085   0.055
  320   1HG   LYS  43           HG2      LYS  43  54.199  -0.617   0.247
  321   2HG   LYS  43           HG1      LYS  43  54.457  -0.738   1.988
  322   1HD   LYS  43           HD2      LYS  43  53.361   1.200   2.395
  323   2HD   LYS  43           HD1      LYS  43  54.163   2.029   1.061
  324   1HE   LYS  43           HE2      LYS  43  52.346   1.763  -0.267
  325   2HE   LYS  43           HE1      LYS  43  52.306   0.018   0.064
  326   1HZ   LYS  43           HZ1      LYS  43  51.507   0.826   2.392
  327   2HZ   LYS  43           HZ3      LYS  43  51.031   2.217   1.544
  328   3HZ   LYS  43           HZ2      LYS  43  50.396   0.701   1.112
  329    H    VAL  44           HN       VAL  44  58.859   0.040   0.658
  330    HA   VAL  44           HA       VAL  44  59.246  -2.730   0.067
  331    HB   VAL  44           HB       VAL  44  60.844  -0.187  -0.044
  332   1HG1  VAL  44          HG12      VAL  44  61.941  -2.925  -0.026
  333   2HG1  VAL  44          HG11      VAL  44  62.423  -1.958  -1.419
  334   3HG1  VAL  44          HG13      VAL  44  62.760  -1.381   0.213
  335   1HG2  VAL  44          HG21      VAL  44  59.720  -2.186  -2.013
  336   2HG2  VAL  44          HG23      VAL  44  59.305  -0.481  -1.836
  337   3HG2  VAL  44          HG22      VAL  44  60.873  -0.944  -2.500
  338    H    MET  45           HN       MET  45  60.412  -0.676   2.709
  339    HA   MET  45           HA       MET  45  62.410  -2.424   3.766
  340   1HB   MET  45           HB2      MET  45  60.672  -0.184   4.736
  341   2HB   MET  45           HB1      MET  45  61.578  -1.110   5.933
  342   1HG   MET  45           HG2      MET  45  63.343  -0.577   3.764
  343   2HG   MET  45           HG1      MET  45  62.541   0.940   4.175
  344   1HE   MET  45           HE1      MET  45  65.441  -0.733   4.418
  345   2HE   MET  45           HE3      MET  45  65.623   1.011   4.660
  346   3HE   MET  45           HE2      MET  45  66.235  -0.119   5.867
  347    H    ARG  46           HN       ARG  46  58.959  -2.055   4.671
  348    HA   ARG  46           HA       ARG  46  59.009  -4.297   6.519
  349   1HB   ARG  46           HB2      ARG  46  56.597  -3.851   6.604
  350   2HB   ARG  46           HB1      ARG  46  57.482  -2.326   6.623
  351   1HG   ARG  46           HG2      ARG  46  56.640  -1.684   4.619
  352   2HG   ARG  46           HG1      ARG  46  56.869  -3.286   3.916
  353   1HD   ARG  46           HD2      ARG  46  54.628  -2.607   5.852
  354   2HD   ARG  46           HD1      ARG  46  54.444  -2.636   4.087
  355    HE   ARG  46           HE       ARG  46  55.617  -5.065   4.596
  356   1HH1  ARG  46          HH21      ARG  46  52.793  -3.380   5.620
  357   2HH1  ARG  46          HH22      ARG  46  51.969  -4.809   6.147
  358   1HH2  ARG  46          HH11      ARG  46  54.610  -6.929   5.405
  359   2HH2  ARG  46          HH12      ARG  46  52.997  -6.818   6.025
  360    H    MET  47           HN       MET  47  58.805  -4.050   3.100
  361    HA   MET  47           HA       MET  47  57.200  -6.457   2.655
  362   1HB   MET  47           HB2      MET  47  58.625  -4.365   1.123
  363   2HB   MET  47           HB1      MET  47  58.552  -5.939   0.329
  364   1HG   MET  47           HG2      MET  47  56.110  -5.987   0.617
  365   2HG   MET  47           HG1      MET  47  56.168  -4.430   1.442
  366   1HE   MET  47           HE3      MET  47  56.211  -6.435  -1.691
  367   2HE   MET  47           HE2      MET  47  56.777  -5.380  -2.985
  368   3HE   MET  47           HE1      MET  47  57.918  -5.979  -1.784
  369    H    LEU  48           HN       LEU  48  60.538  -5.748   3.295
  370    HA   LEU  48           HA       LEU  48  61.445  -8.388   2.265
  371   1HB   LEU  48           HB2      LEU  48  62.666  -5.792   3.134
  372   2HB   LEU  48           HB1      LEU  48  63.662  -7.246   3.194
  373    HG   LEU  48           HG       LEU  48  62.076  -6.543   0.728
  374   1HD1  LEU  48          HD11      LEU  48  64.539  -5.290   1.786
  375   2HD1  LEU  48          HD13      LEU  48  64.624  -5.810   0.104
  376   3HD1  LEU  48          HD12      LEU  48  63.378  -4.672   0.612
  377   1HD2  LEU  48          HD23      LEU  48  64.583  -8.175   1.244
  378   2HD2  LEU  48          HD22      LEU  48  62.977  -8.825   0.918
  379   3HD2  LEU  48          HD21      LEU  48  63.838  -7.933  -0.336
  380    H    GLY  49           HN       GLY  49  60.199  -7.092   5.113
  381   1HA   GLY  49           HA2      GLY  49  59.894  -8.757   6.964
  382   2HA   GLY  49           HA1      GLY  49  61.591  -9.184   6.739
  383    H    GLN  50           HN       GLN  50  62.674  -6.589   6.465
  384    HA   GLN  50           HA       GLN  50  63.038  -5.817   9.194
  385   1HB   GLN  50           HB2      GLN  50  63.649  -4.705   6.472
  386   2HB   GLN  50           HB1      GLN  50  63.941  -3.697   7.890
  387   1HG   GLN  50           HG2      GLN  50  65.984  -4.792   7.713
  388   2HG   GLN  50           HG1      GLN  50  65.123  -5.875   8.808
  389   1HE2  GLN  50          HE22      GLN  50  65.764  -8.528   6.583
  390   2HE2  GLN  50          HE21      GLN  50  65.843  -7.938   8.173
  391    H    ASN  51           HN       ASN  51  62.029  -4.208  10.422
  392    HA   ASN  51           HA       ASN  51  59.891  -2.585   9.099
  393   1HB   ASN  51           HB2      ASN  51  59.744  -4.621  11.262
  394   2HB   ASN  51           HB1      ASN  51  58.779  -3.163  11.501
  395   1HD2  ASN  51          HD22      ASN  51  57.862  -5.650   8.356
  396   2HD2  ASN  51          HD21      ASN  51  59.419  -5.707   9.031
  397    HA   PRO  52           HA       PRO  52  62.653  -0.275  12.116
  398   1HB   PRO  52           HB2      PRO  52  63.813   1.420  10.308
  399   2HB   PRO  52           HB1      PRO  52  64.500  -0.162  10.727
  400   1HG   PRO  52           HG2      PRO  52  62.917   0.642   8.343
  401   2HG   PRO  52           HG1      PRO  52  64.287  -0.473   8.467
  402   1HD   PRO  52           HD2      PRO  52  61.678  -1.277   8.271
  403   2HD   PRO  52           HD1      PRO  52  62.960  -2.244   9.033
  404    H    THR  53           HN       THR  53  62.743   2.368  12.047
  405    HA   THR  53           HA       THR  53  59.910   3.207  11.660
  406    HB   THR  53           HB       THR  53  61.038   3.455  13.860
  407    HG1  THR  53           HG1      THR  53  60.508   5.632  14.123
  408   1HG2  THR  53          HG22      THR  53  62.935   5.156  12.232
  409   2HG2  THR  53          HG21      THR  53  62.840   5.238  13.991
  410   3HG2  THR  53          HG23      THR  53  63.326   3.738  13.203
  411    HA   PRO  54           HA       PRO  54  60.947   5.719   8.201
  412   1HB   PRO  54           HB2      PRO  54  59.064   7.690   8.458
  413   2HB   PRO  54           HB1      PRO  54  58.675   6.047   7.910
  414   1HG   PRO  54           HG2      PRO  54  58.322   7.279  10.598
  415   2HG   PRO  54           HG1      PRO  54  57.264   6.164   9.719
  416   1HD   PRO  54           HD2      PRO  54  58.914   5.383  11.741
  417   2HD   PRO  54           HD1      PRO  54  58.422   4.312  10.411
  418    H    GLU  55           HN       GLU  55  60.711   7.169  11.407
  419    HA   GLU  55           HA       GLU  55  61.793   9.746  10.851
  420   1HB   GLU  55           HB2      GLU  55  61.896   7.899  13.253
  421   2HB   GLU  55           HB1      GLU  55  62.443   9.574  13.306
  422   1HG   GLU  55           HG2      GLU  55  60.147  10.220  12.406
  423   2HG   GLU  55           HG1      GLU  55  59.652   8.559  12.733
  424    H    GLU  56           HN       GLU  56  63.301   6.594  11.053
  425    HA   GLU  56           HA       GLU  56  66.027   7.625  11.376
  426   1HB   GLU  56           HB2      GLU  56  64.575   5.095  11.327
  427   2HB   GLU  56           HB1      GLU  56  66.090   4.990  10.430
  428   1HG   GLU  56           HG2      GLU  56  67.314   5.889  12.367
  429   2HG   GLU  56           HG1      GLU  56  65.803   6.020  13.269
  430    H    LEU  57           HN       LEU  57  63.993   6.430   8.713
  431    HA   LEU  57           HA       LEU  57  65.939   6.281   6.660
  432   1HB   LEU  57           HB2      LEU  57  63.043   6.434   6.991
  433   2HB   LEU  57           HB1      LEU  57  63.573   7.226   5.506
  434    HG   LEU  57           HG       LEU  57  64.946   5.150   5.015
  435   1HD1  LEU  57          HD12      LEU  57  64.022   4.509   7.653
  436   2HD1  LEU  57          HD11      LEU  57  63.376   3.316   6.526
  437   3HD1  LEU  57          HD13      LEU  57  65.116   3.586   6.624
  438   1HD2  LEU  57          HD21      LEU  57  62.149   5.654   4.724
  439   2HD2  LEU  57          HD23      LEU  57  63.191   4.688   3.679
  440   3HD2  LEU  57          HD22      LEU  57  62.354   3.930   5.035
  441    H    GLN  58           HN       GLN  58  63.757   9.032   7.404
  442    HA   GLN  58           HA       GLN  58  64.770  10.913   5.589
  443   1HB   GLN  58           HB2      GLN  58  63.218  10.818   8.044
  444   2HB   GLN  58           HB1      GLN  58  64.188  12.290   7.971
  445   1HG   GLN  58           HG2      GLN  58  61.915  12.503   6.899
  446   2HG   GLN  58           HG1      GLN  58  63.258  12.875   5.818
  447   1HE2  GLN  58          HE22      GLN  58  62.456  10.289   3.565
  448   2HE2  GLN  58          HE21      GLN  58  63.389  11.668   3.895
  449    H    GLU  59           HN       GLU  59  65.886  10.320   8.944
  450    HA   GLU  59           HA       GLU  59  67.968  12.255   8.998
  451   1HB   GLU  59           HB2      GLU  59  66.935  10.098  10.557
  452   2HB   GLU  59           HB1      GLU  59  68.684   9.891  10.457
  453   1HG   GLU  59           HG2      GLU  59  67.349  12.509  11.194
  454   2HG   GLU  59           HG1      GLU  59  67.925  11.338  12.381
  455    H    MET  60           HN       MET  60  67.983   8.864   7.890
  456    HA   MET  60           HA       MET  60  70.827   8.811   7.305
  457   1HB   MET  60           HB2      MET  60  68.487   7.121   6.361
  458   2HB   MET  60           HB1      MET  60  70.187   6.678   6.196
  459   1HG   MET  60           HG2      MET  60  69.570   7.452   8.927
  460   2HG   MET  60           HG1      MET  60  68.530   6.135   8.390
  461   1HE   MET  60           HE1      MET  60  69.343   4.565   6.772
  462   2HE   MET  60           HE3      MET  60  70.958   3.854   6.654
  463   3HE   MET  60           HE2      MET  60  69.860   3.347   7.935
  464    H    ILE  61           HN       ILE  61  67.971   8.790   5.127
  465    HA   ILE  61           HA       ILE  61  69.166   9.109   2.658
  466    HB   ILE  61           HB       ILE  61  66.741  10.509   3.827
  467   1HG1  ILE  61          HG12      ILE  61  66.714   8.117   2.009
  468   2HG1  ILE  61          HG11      ILE  61  67.037   7.895   3.729
  469   1HG2  ILE  61          HG23      ILE  61  67.609  11.539   1.695
  470   2HG2  ILE  61          HG22      ILE  61  67.379   9.974   0.913
  471   3HG2  ILE  61          HG21      ILE  61  65.991  10.853   1.555
  472   1HD1  ILE  61          HD11      ILE  61  64.633   9.373   2.625
  473   2HD1  ILE  61          HD13      ILE  61  64.607   7.691   3.155
  474   3HD1  ILE  61          HD12      ILE  61  64.941   8.978   4.315
  475    H    ASP  62           HN       ASP  62  68.830  11.571   5.181
  476    HA   ASP  62           HA       ASP  62  69.463  13.908   3.733
  477   1HB   ASP  62           HB2      ASP  62  69.438  12.925   6.472
  478   2HB   ASP  62           HB1      ASP  62  70.745  14.084   6.226
  479    H    GLU  63           HN       GLU  63  71.857  12.180   5.759
  480    HA   GLU  63           HA       GLU  63  74.129  13.342   4.446
  481   1HB   GLU  63           HB2      GLU  63  75.352  11.843   5.869
  482   2HB   GLU  63           HB1      GLU  63  73.901  12.293   6.765
  483   1HG   GLU  63           HG2      GLU  63  72.949  10.135   5.452
  484   2HG   GLU  63           HG1      GLU  63  74.649   9.676   5.565
  485    H    VAL  64           HN       VAL  64  72.088  10.656   3.625
  486    HA   VAL  64           HA       VAL  64  74.076   9.319   1.921
  487    HB   VAL  64           HB       VAL  64  71.102   9.018   2.431
  488   1HG1  VAL  64          HG13      VAL  64  72.968   7.400   0.675
  489   2HG1  VAL  64          HG12      VAL  64  71.399   6.812   1.227
  490   3HG1  VAL  64          HG11      VAL  64  71.492   8.232   0.185
  491   1HG2  VAL  64          HG21      VAL  64  73.051   8.408   4.121
  492   2HG2  VAL  64          HG23      VAL  64  71.689   7.311   3.898
  493   3HG2  VAL  64          HG22      VAL  64  73.219   6.994   3.081
  494    H    ASP  65           HN       ASP  65  71.036  11.140   1.380
  495    HA   ASP  65           HA       ASP  65  71.809  11.468  -1.487
  496   1HB   ASP  65           HB2      ASP  65  69.268  11.501   0.119
  497   2HB   ASP  65           HB1      ASP  65  69.310  12.315  -1.446
  498    H    GLU  66           HN       GLU  66  73.359  13.063   0.076
  499    HA   GLU  66           HA       GLU  66  72.202  15.628   0.745
  500   1HB   GLU  66           HB2      GLU  66  74.333  14.505   1.604
  501   2HB   GLU  66           HB1      GLU  66  75.083  14.973   0.077
  502   1HG   GLU  66           HG2      GLU  66  73.747  17.273   1.068
  503   2HG   GLU  66           HG1      GLU  66  74.646  16.582   2.419
  504    H    ASP  67           HN       ASP  67  71.161  15.303  -1.707
  505    HA   ASP  67           HA       ASP  67  72.660  17.278  -3.364
  506   1HB   ASP  67           HB2      ASP  67  71.630  14.564  -4.255
  507   2HB   ASP  67           HB1      ASP  67  72.287  15.789  -5.340
  508    H    GLY  68           HN       GLY  68  70.021  16.994  -1.730
  509   1HA   GLY  68           HA2      GLY  68  67.799  17.719  -1.945
  510   2HA   GLY  68           HA1      GLY  68  68.407  18.737  -3.251
  511    H    SER  69           HN       SER  69  67.190  15.478  -2.530
  512    HA   SER  69           HA       SER  69  65.990  15.391  -5.248
  513   1HB   SER  69           HB2      SER  69  68.151  14.386  -5.583
  514   2HB   SER  69           HB1      SER  69  68.017  13.456  -4.093
  515    HG   SER  69           HG       SER  69  67.024  12.951  -6.595
  516    H    GLY  70           HN       GLY  70  66.597  12.888  -2.773
  517   1HA   GLY  70           HA2      GLY  70  64.963  12.123  -1.148
  518   2HA   GLY  70           HA1      GLY  70  63.699  12.897  -2.105
  519    H    THR  71           HN       THR  71  66.135  11.019  -3.732
  520    HA   THR  71           HA       THR  71  64.251   8.706  -3.953
  521    HB   THR  71           HB       THR  71  64.660   8.770  -6.417
  522    HG1  THR  71           HG1      THR  71  65.759  11.327  -5.971
  523   1HG2  THR  71          HG23      THR  71  63.517  11.231  -5.085
  524   2HG2  THR  71          HG22      THR  71  63.384  10.937  -6.819
  525   3HG2  THR  71          HG21      THR  71  62.644   9.816  -5.675
  526    H    VAL  72           HN       VAL  72  65.322   6.744  -3.946
  527    HA   VAL  72           HA       VAL  72  68.314   6.831  -3.939
  528    HB   VAL  72           HB       VAL  72  67.853   4.486  -2.851
  529   1HG1  VAL  72          HG13      VAL  72  67.348   7.173  -1.576
  530   2HG1  VAL  72          HG12      VAL  72  67.421   5.684  -0.634
  531   3HG1  VAL  72          HG11      VAL  72  68.829   6.214  -1.553
  532   1HG2  VAL  72          HG22      VAL  72  65.305   4.910  -3.507
  533   2HG2  VAL  72          HG21      VAL  72  65.732   4.052  -2.027
  534   3HG2  VAL  72          HG23      VAL  72  65.295   5.760  -1.962
  535    H    ASP  73           HN       ASP  73  69.465   5.266  -5.149
  536    HA   ASP  73           HA       ASP  73  67.895   3.994  -7.358
  537   1HB   ASP  73           HB2      ASP  73  70.829   4.752  -7.118
  538   2HB   ASP  73           HB1      ASP  73  70.046   4.128  -8.570
  539    H    PHE  74           HN       PHE  74  69.084   1.888  -8.140
  540    HA   PHE  74           HA       PHE  74  69.005  -0.083  -6.135
  541   1HB   PHE  74           HB2      PHE  74  69.056  -0.210  -8.722
  542   2HB   PHE  74           HB1      PHE  74  70.813  -0.189  -8.557
  543    HD1  PHE  74           HD2      PHE  74  68.070  -1.809  -6.572
  544    HD2  PHE  74           HD1      PHE  74  71.671  -2.337  -8.852
  545    HE1  PHE  74           HE2      PHE  74  68.050  -4.231  -6.042
  546    HE2  PHE  74           HE1      PHE  74  71.651  -4.760  -8.323
  547    HZ   PHE  74           HZ       PHE  74  69.841  -5.708  -6.917
  548    H    ASP  75           HN       ASP  75  71.506   2.218  -6.825
  549    HA   ASP  75           HA       ASP  75  73.674   0.699  -5.569
  550   1HB   ASP  75           HB2      ASP  75  73.527   2.705  -7.372
  551   2HB   ASP  75           HB1      ASP  75  73.777   3.656  -5.907
  552    H    GLU  76           HN       GLU  76  71.402   3.263  -4.607
  553    HA   GLU  76           HA       GLU  76  72.673   3.555  -1.959
  554   1HB   GLU  76           HB2      GLU  76  70.124   4.697  -3.152
  555   2HB   GLU  76           HB1      GLU  76  70.929   5.271  -1.691
  556   1HG   GLU  76           HG2      GLU  76  72.333   5.167  -4.366
  557   2HG   GLU  76           HG1      GLU  76  71.424   6.582  -3.834
  558    H    PHE  77           HN       PHE  77  69.399   2.650  -3.134
  559    HA   PHE  77           HA       PHE  77  68.244   1.795  -0.747
  560   1HB   PHE  77           HB2      PHE  77  67.063   1.880  -2.863
  561   2HB   PHE  77           HB1      PHE  77  68.111   0.637  -3.548
  562    HD1  PHE  77           HD2      PHE  77  66.141   1.050  -0.374
  563    HD2  PHE  77           HD1      PHE  77  67.095  -1.444  -3.739
  564    HE1  PHE  77           HE2      PHE  77  64.634  -0.712   0.505
  565    HE2  PHE  77           HE1      PHE  77  65.587  -3.205  -2.859
  566    HZ   PHE  77           HZ       PHE  77  64.357  -2.839  -0.738
  567    H    LEU  78           HN       LEU  78  70.857   0.289  -2.515
  568    HA   LEU  78           HA       LEU  78  70.591  -2.307  -1.171
  569   1HB   LEU  78           HB2      LEU  78  71.492  -2.529  -3.293
  570   2HB   LEU  78           HB1      LEU  78  72.299  -0.964  -3.222
  571    HG   LEU  78           HG       LEU  78  73.955  -1.903  -1.643
  572   1HD1  LEU  78          HD13      LEU  78  72.180  -4.302  -1.957
  573   2HD1  LEU  78          HD12      LEU  78  73.904  -4.549  -1.678
  574   3HD1  LEU  78          HD11      LEU  78  72.940  -3.659  -0.501
  575   1HD2  LEU  78          HD22      LEU  78  73.560  -3.355  -4.274
  576   2HD2  LEU  78          HD21      LEU  78  74.564  -1.937  -3.973
  577   3HD2  LEU  78          HD23      LEU  78  75.025  -3.503  -3.304
  578    H    VAL  79           HN       VAL  79  72.705   0.562  -0.970
  579    HA   VAL  79           HA       VAL  79  74.372  -0.539   1.151
  580    HB   VAL  79           HB       VAL  79  73.901   2.256   0.066
  581   1HG1  VAL  79          HG11      VAL  79  75.621   1.199   2.242
  582   2HG1  VAL  79          HG13      VAL  79  76.403   2.302   1.109
  583   3HG1  VAL  79          HG12      VAL  79  74.976   2.823   2.005
  584   1HG2  VAL  79          HG21      VAL  79  74.801   0.561  -1.536
  585   2HG2  VAL  79          HG23      VAL  79  75.958   1.845  -1.188
  586   3HG2  VAL  79          HG22      VAL  79  76.138   0.265  -0.426
  587    H    MET  80           HN       MET  80  71.785   1.944   1.049
  588    HA   MET  80           HA       MET  80  71.699   2.614   3.784
  589   1HB   MET  80           HB2      MET  80  69.610   2.386   1.607
  590   2HB   MET  80           HB1      MET  80  69.223   3.034   3.201
  591   1HG   MET  80           HG2      MET  80  71.620   4.302   2.384
  592   2HG   MET  80           HG1      MET  80  70.532   4.348   0.997
  593   1HE   MET  80           HE2      MET  80  68.367   4.981   0.912
  594   2HE   MET  80           HE1      MET  80  67.557   6.221   1.866
  595   3HE   MET  80           HE3      MET  80  68.934   6.648   0.841
  596    H    MET  81           HN       MET  81  70.697  -0.325   2.189
  597    HA   MET  81           HA       MET  81  68.900  -1.273   4.264
  598   1HB   MET  81           HB2      MET  81  69.863  -2.017   1.675
  599   2HB   MET  81           HB1      MET  81  70.105  -3.389   2.757
  600   1HG   MET  81           HG2      MET  81  67.495  -1.868   2.499
  601   2HG   MET  81           HG1      MET  81  67.848  -3.381   1.662
  602   1HE   MET  81           HE1      MET  81  66.423  -4.763   2.196
  603   2HE   MET  81           HE3      MET  81  67.459  -5.910   3.055
  604   3HE   MET  81           HE2      MET  81  65.913  -5.424   3.746
  605    H    VAL  82           HN       VAL  82  72.366  -1.674   3.567
  606    HA   VAL  82           HA       VAL  82  72.797  -3.621   5.698
  607    HB   VAL  82           HB       VAL  82  75.129  -3.347   5.037
  608   1HG1  VAL  82          HG11      VAL  82  73.160  -3.191   2.740
  609   2HG1  VAL  82          HG13      VAL  82  74.866  -3.578   2.525
  610   3HG1  VAL  82          HG12      VAL  82  73.834  -4.645   3.477
  611   1HG2  VAL  82          HG21      VAL  82  74.384  -0.679   4.641
  612   2HG2  VAL  82          HG23      VAL  82  75.958  -1.385   4.277
  613   3HG2  VAL  82          HG22      VAL  82  74.728  -1.278   3.019
  614    H    ARG  83           HN       ARG  83  72.150  -0.335   5.752
  615    HA   ARG  83           HA       ARG  83  74.016   0.413   7.900
  616   1HB   ARG  83           HB2      ARG  83  72.798   1.759   5.922
  617   2HB   ARG  83           HB1      ARG  83  71.591   2.003   7.185
  618   1HG   ARG  83           HG2      ARG  83  72.920   3.761   7.771
  619   2HG   ARG  83           HG1      ARG  83  73.878   2.516   8.574
  620   1HD   ARG  83           HD2      ARG  83  74.417   2.982   5.670
  621   2HD   ARG  83           HD1      ARG  83  75.002   4.198   6.822
  622    HE   ARG  83           HE       ARG  83  76.046   1.509   6.556
  623   1HH1  ARG  83          HH21      ARG  83  75.394   0.909   9.179
  624   2HH1  ARG  83          HH22      ARG  83  76.510   1.779  10.178
  625   1HH2  ARG  83          HH11      ARG  83  77.449   3.983   7.671
  626   2HH2  ARG  83          HH12      ARG  83  77.673   3.518   9.325
  627    H    CYS  84           HN       CYS  84  70.436   0.240   7.648
  628    HA   CYS  84           HA       CYS  84  69.827   0.561  10.379
  629   1HB   CYS  84           HB2      CYS  84  68.582  -0.790   8.009
  630   2HB   CYS  84           HB1      CYS  84  67.836  -1.012   9.591
  631    HG   CYS  84           HG       CYS  84  67.496   1.428   7.947
  632    H    MET  85           HN       MET  85  71.301  -2.136   8.770
  633    HA   MET  85           HA       MET  85  71.038  -3.756  11.285
  634   1HB   MET  85           HB2      MET  85  70.874  -5.711   9.866
  635   2HB   MET  85           HB1      MET  85  69.721  -4.522   9.262
  636   1HG   MET  85           HG2      MET  85  70.742  -4.518   7.259
  637   2HG   MET  85           HG1      MET  85  72.259  -4.038   8.020
  638   1HE   MET  85           HE2      MET  85  71.178  -5.847   5.594
  639   2HE   MET  85           HE1      MET  85  72.938  -5.790   5.544
  640   3HE   MET  85           HE3      MET  85  72.099  -7.346   5.509
  641    H    LYS  86           HN       LYS  86  73.175  -2.009  11.071
  642    HA   LYS  86           HA       LYS  86  75.466  -3.733  10.187
  643   1HB   LYS  86           HB2      LYS  86  74.729  -1.122   9.550
  644   2HB   LYS  86           HB1      LYS  86  76.003  -0.911  10.753
  645   1HG   LYS  86           HG2      LYS  86  76.982  -2.946   9.136
  646   2HG   LYS  86           HG1      LYS  86  76.197  -1.856   7.991
  647   1HD   LYS  86           HD2      LYS  86  77.624  -0.102   8.464
  648   2HD   LYS  86           HD1      LYS  86  77.911  -0.644  10.118
  649   1HE   LYS  86           HE2      LYS  86  78.934  -2.725   8.561
  650   2HE   LYS  86           HE1      LYS  86  79.433  -1.254   7.702
  651   1HZ   LYS  86           HZ3      LYS  86  79.602  -1.322  10.634
  652   2HZ   LYS  86           HZ2      LYS  86  80.810  -2.105   9.732
  653   3HZ   LYS  86           HZ1      LYS  86  80.534  -0.442   9.524
  654    H    ASP  87           HN       ASP  87  74.384  -4.358  12.672
  655    HA   ASP  87           HA       ASP  87  76.001  -2.908  14.711
  656   1HB   ASP  87           HB2      ASP  87  73.831  -5.027  14.883
  657   2HB   ASP  87           HB1      ASP  87  74.543  -4.194  16.265
  658    H    ASP  88           HN       ASP  88  77.006  -4.431  16.427
  659    HA   ASP  88           HA       ASP  88  79.028  -6.052  15.306
  660   1HB   ASP  88           HB2      ASP  88  77.703  -5.835  18.007
  661   2HB   ASP  88           HB1      ASP  88  79.017  -6.982  17.741
  662    H    SER  89           HN       SER  89  76.703  -7.581  17.497
  663    HA   SER  89           HA       SER  89  75.650  -9.694  17.369
  664   1HB   SER  89           HB2      SER  89  75.570  -8.719  14.498
  665   2HB   SER  89           HB1      SER  89  74.643 -10.095  15.093
  666    HG   SER  89           HG       SER  89  74.409  -7.359  15.692
   
  No H/Q in entry =         666
  Start of MODEL   26
    1   1H    MET   1           HT1      MET   1  90.626   8.449   2.520
    2   2H    MET   1           HT3      MET   1  90.320   9.209   1.036
    3   3H    MET   1           HT2      MET   1  90.342  10.123   2.468
    4    HA   MET   1           HA       MET   1  88.360   9.024   3.269
    5   1HB   MET   1           HB2      MET   1  88.288  11.040   1.810
    6   2HB   MET   1           HB1      MET   1  88.188   9.992   0.395
    7   1HG   MET   1           HG2      MET   1  85.948  10.023   0.655
    8   2HG   MET   1           HG1      MET   1  86.184   9.048   2.106
    9   1HE   MET   1           HE1      MET   1  83.988   9.856   2.514
   10   2HE   MET   1           HE3      MET   1  83.646  11.231   3.573
   11   3HE   MET   1           HE2      MET   1  83.597  11.429   1.824
   12    H    ASP   2           HN       ASP   2  88.671   6.672   3.358
   13    HA   ASP   2           HA       ASP   2  88.209   5.120   0.883
   14   1HB   ASP   2           HB2      ASP   2  89.385   4.778   3.512
   15   2HB   ASP   2           HB1      ASP   2  88.264   3.462   3.161
   16    H    ASP   3           HN       ASP   3  86.239   4.212   0.365
   17    HA   ASP   3           HA       ASP   3  83.903   4.859   2.035
   18   1HB   ASP   3           HB2      ASP   3  84.367   4.740  -0.623
   19   2HB   ASP   3           HB1      ASP   3  83.736   3.112  -0.373
   20    H    ILE   4           HN       ILE   4  83.382   3.498   3.701
   21    HA   ILE   4           HA       ILE   4  84.262   0.678   3.680
   22    HB   ILE   4           HB       ILE   4  83.599   0.756   5.989
   23   1HG1  ILE   4          HG12      ILE   4  82.433   3.157   6.557
   24   2HG1  ILE   4          HG11      ILE   4  81.759   2.837   4.958
   25   1HG2  ILE   4          HG23      ILE   4  85.568   2.212   5.210
   26   2HG2  ILE   4          HG22      ILE   4  84.478   3.586   5.390
   27   3HG2  ILE   4          HG21      ILE   4  84.884   2.592   6.790
   28   1HD1  ILE   4          HD12      ILE   4  81.793   0.599   6.940
   29   2HD1  ILE   4          HD11      ILE   4  80.597   1.878   7.154
   30   3HD1  ILE   4          HD13      ILE   4  80.631   0.942   5.659
   31    H    TYR   5           HN       TYR   5  81.361   2.542   3.099
   32    HA   TYR   5           HA       TYR   5  79.435   0.430   3.537
   33   1HB   TYR   5           HB2      TYR   5  79.375   2.924   1.805
   34   2HB   TYR   5           HB1      TYR   5  77.960   2.003   2.315
   35    HD1  TYR   5           HD1      TYR   5  77.264   1.960   4.683
   36    HD2  TYR   5           HD2      TYR   5  80.576   4.351   3.355
   37    HE1  TYR   5           HE1      TYR   5  77.200   3.230   6.811
   38    HE2  TYR   5           HE2      TYR   5  80.512   5.621   5.484
   39    HH   TYR   5           HH       TYR   5  79.720   5.429   7.713
   40    H    LYS   6           HN       LYS   6  81.611   1.207   0.928
   41    HA   LYS   6           HA       LYS   6  80.251   0.027  -1.279
   42   1HB   LYS   6           HB2      LYS   6  82.191   1.369  -1.631
   43   2HB   LYS   6           HB1      LYS   6  83.151   0.405  -0.507
   44   1HG   LYS   6           HG2      LYS   6  83.495  -1.287  -2.031
   45   2HG   LYS   6           HG1      LYS   6  81.952  -1.013  -2.841
   46   1HD   LYS   6           HD2      LYS   6  82.820   1.002  -3.906
   47   2HD   LYS   6           HD1      LYS   6  84.342   0.844  -3.027
   48   1HE   LYS   6           HE2      LYS   6  84.901  -1.192  -4.200
   49   2HE   LYS   6           HE1      LYS   6  83.285  -1.276  -4.928
   50   1HZ   LYS   6           HZ2      LYS   6  83.734   0.970  -5.876
   51   2HZ   LYS   6           HZ1      LYS   6  85.347   0.815  -5.364
   52   3HZ   LYS   6           HZ3      LYS   6  84.717  -0.260  -6.515
   53    H    ALA   7           HN       ALA   7  82.120  -1.410   1.354
   54    HA   ALA   7           HA       ALA   7  82.338  -4.047   0.146
   55   1HB   ALA   7           HB3      ALA   7  83.124  -2.604   2.539
   56   2HB   ALA   7           HB2      ALA   7  82.531  -4.214   2.952
   57   3HB   ALA   7           HB1      ALA   7  83.866  -4.031   1.814
   58    H    ALA   8           HN       ALA   8  79.937  -2.387   2.102
   59    HA   ALA   8           HA       ALA   8  78.502  -4.507   3.252
   60   1HB   ALA   8           HB3      ALA   8  78.078  -2.088   3.558
   61   2HB   ALA   8           HB2      ALA   8  77.471  -1.988   1.905
   62   3HB   ALA   8           HB1      ALA   8  76.596  -2.934   3.109
   63    H    VAL   9           HN       VAL   9  78.313  -3.257  -0.086
   64    HA   VAL   9           HA       VAL   9  76.248  -5.208  -0.841
   65    HB   VAL   9           HB       VAL   9  77.930  -3.163  -2.320
   66   1HG1  VAL   9          HG11      VAL   9  75.622  -4.851  -3.333
   67   2HG1  VAL   9          HG13      VAL   9  76.405  -3.546  -4.224
   68   3HG1  VAL   9          HG12      VAL   9  77.306  -5.010  -3.832
   69   1HG2  VAL   9          HG22      VAL   9  75.202  -3.240  -1.083
   70   2HG2  VAL   9          HG21      VAL   9  76.392  -1.939  -1.083
   71   3HG2  VAL   9          HG23      VAL   9  75.437  -2.262  -2.531
   72    H    GLU  10           HN       GLU  10  79.752  -4.864  -1.117
   73    HA   GLU  10           HA       GLU  10  80.269  -6.829  -3.109
   74   1HB   GLU  10           HB2      GLU  10  81.978  -5.320  -2.377
   75   2HB   GLU  10           HB1      GLU  10  81.780  -5.807  -0.693
   76   1HG   GLU  10           HG2      GLU  10  83.755  -6.912  -1.496
   77   2HG   GLU  10           HG1      GLU  10  82.493  -8.141  -1.399
   78    H    GLN  11           HN       GLN  11  79.098  -7.181   0.117
   79    HA   GLN  11           HA       GLN  11  80.038  -9.971   0.403
   80   1HB   GLN  11           HB2      GLN  11  78.356  -8.072   2.063
   81   2HB   GLN  11           HB1      GLN  11  78.730  -9.720   2.567
   82   1HG   GLN  11           HG2      GLN  11  81.192  -9.117   2.212
   83   2HG   GLN  11           HG1      GLN  11  80.658  -7.438   2.103
   84   1HE2  GLN  11          HE22      GLN  11  80.262  -7.087   5.586
   85   2HE2  GLN  11          HE21      GLN  11  80.259  -6.342   4.061
   86    H    LEU  12           HN       LEU  12  77.203  -8.221  -0.644
   87    HA   LEU  12           HA       LEU  12  75.292 -10.379  -0.292
   88   1HB   LEU  12           HB2      LEU  12  75.295  -7.960  -2.129
   89   2HB   LEU  12           HB1      LEU  12  73.877  -8.891  -1.643
   90    HG   LEU  12           HG       LEU  12  75.708  -7.467   0.307
   91   1HD1  LEU  12          HD12      LEU  12  74.207  -6.114  -1.431
   92   2HD1  LEU  12          HD11      LEU  12  72.928  -6.539  -0.292
   93   3HD1  LEU  12          HD13      LEU  12  74.325  -5.613   0.256
   94   1HD2  LEU  12          HD23      LEU  12  74.287  -9.487   1.025
   95   2HD2  LEU  12          HD22      LEU  12  74.059  -7.999   1.943
   96   3HD2  LEU  12          HD21      LEU  12  72.883  -8.467   0.715
   97    H    THR  13           HN       THR  13  74.590 -11.883  -1.857
   98    HA   THR  13           HA       THR  13  76.303 -12.092  -4.313
   99    HB   THR  13           HB       THR  13  75.751 -14.555  -4.056
  100    HG1  THR  13           HG1      THR  13  74.661 -15.198  -2.315
  101   1HG2  THR  13          HG22      THR  13  77.456 -12.880  -2.388
  102   2HG2  THR  13          HG21      THR  13  77.013 -14.382  -1.577
  103   3HG2  THR  13          HG23      THR  13  77.812 -14.432  -3.148
  104    H    GLU  14           HN       GLU  14  75.180 -13.016  -6.220
  105    HA   GLU  14           HA       GLU  14  72.850 -11.770  -7.037
  106   1HB   GLU  14           HB2      GLU  14  74.548 -13.875  -7.877
  107   2HB   GLU  14           HB1      GLU  14  72.901 -14.494  -8.006
  108   1HG   GLU  14           HG2      GLU  14  72.404 -13.120  -9.736
  109   2HG   GLU  14           HG1      GLU  14  73.176 -11.734  -8.965
  110    H    GLU  15           HN       GLU  15  73.018 -15.005  -5.498
  111    HA   GLU  15           HA       GLU  15  70.292 -15.647  -5.421
  112   1HB   GLU  15           HB2      GLU  15  72.106 -17.128  -4.716
  113   2HB   GLU  15           HB1      GLU  15  72.481 -16.064  -3.360
  114   1HG   GLU  15           HG2      GLU  15  71.152 -17.666  -2.314
  115   2HG   GLU  15           HG1      GLU  15  69.947 -16.450  -2.742
  116    H    GLN  16           HN       GLN  16  72.140 -13.676  -3.076
  117    HA   GLN  16           HA       GLN  16  69.714 -13.047  -1.538
  118   1HB   GLN  16           HB2      GLN  16  71.475 -13.099  -0.081
  119   2HB   GLN  16           HB1      GLN  16  72.650 -12.799  -1.356
  120   1HG   GLN  16           HG2      GLN  16  72.496 -10.495  -1.147
  121   2HG   GLN  16           HG1      GLN  16  70.856 -10.556  -0.503
  122   1HE2  GLN  16          HE22      GLN  16  72.190 -10.128   2.732
  123   2HE2  GLN  16          HE21      GLN  16  71.083  -9.602   1.557
  124    H    LYS  17           HN       LYS  17  71.391 -11.778  -4.264
  125    HA   LYS  17           HA       LYS  17  70.507  -8.997  -3.903
  126   1HB   LYS  17           HB2      LYS  17  72.628  -9.911  -5.053
  127   2HB   LYS  17           HB1      LYS  17  71.570 -10.324  -6.404
  128   1HG   LYS  17           HG2      LYS  17  72.049  -8.203  -7.095
  129   2HG   LYS  17           HG1      LYS  17  70.793  -7.758  -5.938
  130   1HD   LYS  17           HD2      LYS  17  72.445  -6.426  -5.085
  131   2HD   LYS  17           HD1      LYS  17  72.924  -7.915  -4.272
  132   1HE   LYS  17           HE2      LYS  17  74.772  -8.210  -5.617
  133   2HE   LYS  17           HE1      LYS  17  73.973  -7.509  -7.037
  134   1HZ   LYS  17           HZ3      LYS  17  74.031  -5.340  -5.869
  135   2HZ   LYS  17           HZ2      LYS  17  74.981  -6.051  -4.653
  136   3HZ   LYS  17           HZ1      LYS  17  75.574  -5.939  -6.241
  137    H    ASN  18           HN       ASN  18  69.658 -11.749  -6.029
  138    HA   ASN  18           HA       ASN  18  67.707 -10.533  -7.645
  139   1HB   ASN  18           HB2      ASN  18  66.852 -12.823  -7.885
  140   2HB   ASN  18           HB1      ASN  18  68.614 -12.852  -7.815
  141   1HD2  ASN  18          HD22      ASN  18  68.400 -15.221  -5.218
  142   2HD2  ASN  18          HD21      ASN  18  69.048 -14.807  -6.732
  143    H    GLU  19           HN       GLU  19  67.599 -11.209  -4.240
  144    HA   GLU  19           HA       GLU  19  64.706 -11.262  -3.955
  145   1HB   GLU  19           HB2      GLU  19  67.107 -11.515  -2.371
  146   2HB   GLU  19           HB1      GLU  19  65.984 -10.417  -1.567
  147   1HG   GLU  19           HG2      GLU  19  64.179 -12.185  -2.031
  148   2HG   GLU  19           HG1      GLU  19  65.510 -13.279  -2.411
  149    H    PHE  20           HN       PHE  20  67.215  -8.759  -3.799
  150    HA   PHE  20           HA       PHE  20  65.416  -6.664  -2.862
  151   1HB   PHE  20           HB2      PHE  20  68.235  -7.026  -3.714
  152   2HB   PHE  20           HB1      PHE  20  67.579  -5.404  -3.943
  153    HD1  PHE  20           HD2      PHE  20  65.711  -5.091  -1.732
  154    HD2  PHE  20           HD1      PHE  20  69.576  -6.965  -1.789
  155    HE1  PHE  20           HE2      PHE  20  65.962  -4.646   0.695
  156    HE2  PHE  20           HE1      PHE  20  69.827  -6.520   0.639
  157    HZ   PHE  20           HZ       PHE  20  68.020  -5.361   1.880
  158    H    LYS  21           HN       LYS  21  66.730  -7.669  -6.020
  159    HA   LYS  21           HA       LYS  21  65.756  -5.504  -7.590
  160   1HB   LYS  21           HB2      LYS  21  67.374  -7.198  -8.339
  161   2HB   LYS  21           HB1      LYS  21  66.136  -8.450  -8.229
  162   1HG   LYS  21           HG2      LYS  21  64.870  -6.625  -9.811
  163   2HG   LYS  21           HG1      LYS  21  66.546  -6.384 -10.306
  164   1HD   LYS  21           HD2      LYS  21  66.751  -8.522 -11.155
  165   2HD   LYS  21           HD1      LYS  21  65.562  -9.193 -10.038
  166   1HE   LYS  21           HE2      LYS  21  64.325  -9.198 -12.019
  167   2HE   LYS  21           HE1      LYS  21  63.911  -7.586 -11.402
  168   1HZ   LYS  21           HZ2      LYS  21  65.802  -6.682 -12.624
  169   2HZ   LYS  21           HZ1      LYS  21  66.149  -8.223 -13.254
  170   3HZ   LYS  21           HZ3      LYS  21  64.706  -7.438 -13.679
  171    H    ALA  22           HN       ALA  22  64.194  -8.538  -6.567
  172    HA   ALA  22           HA       ALA  22  61.777  -8.156  -8.105
  173   1HB   ALA  22           HB2      ALA  22  62.482  -9.765  -5.631
  174   2HB   ALA  22           HB1      ALA  22  60.961  -9.935  -6.508
  175   3HB   ALA  22           HB3      ALA  22  62.486 -10.335  -7.300
  176    H    ALA  23           HN       ALA  23  63.002  -6.512  -5.415
  177    HA   ALA  23           HA       ALA  23  60.247  -5.687  -4.556
  178   1HB   ALA  23           HB1      ALA  23  61.753  -6.964  -2.948
  179   2HB   ALA  23           HB3      ALA  23  62.829  -5.568  -2.975
  180   3HB   ALA  23           HB2      ALA  23  61.186  -5.403  -2.355
  181    H    PHE  24           HN       PHE  24  63.431  -4.642  -5.604
  182    HA   PHE  24           HA       PHE  24  62.972  -1.811  -5.003
  183   1HB   PHE  24           HB2      PHE  24  65.198  -2.883  -4.976
  184   2HB   PHE  24           HB1      PHE  24  65.031  -3.274  -6.688
  185    HD1  PHE  24           HD2      PHE  24  64.631  -1.319  -8.323
  186    HD2  PHE  24           HD1      PHE  24  66.070  -0.801  -4.312
  187    HE1  PHE  24           HE2      PHE  24  65.498   0.926  -8.926
  188    HE2  PHE  24           HE1      PHE  24  66.938   1.444  -4.912
  189    HZ   PHE  24           HZ       PHE  24  66.651   2.307  -7.219
  190    H    ASP  25           HN       ASP  25  63.172  -3.787  -7.990
  191    HA   ASP  25           HA       ASP  25  62.550  -1.708  -9.837
  192   1HB   ASP  25           HB2      ASP  25  62.689  -4.639  -9.711
  193   2HB   ASP  25           HB1      ASP  25  61.516  -4.055 -10.892
  194    H    ILE  26           HN       ILE  26  60.563  -3.353  -7.535
  195    HA   ILE  26           HA       ILE  26  58.011  -3.064  -8.875
  196    HB   ILE  26           HB       ILE  26  58.855  -3.393  -5.982
  197   1HG1  ILE  26          HG12      ILE  26  58.053  -5.282  -8.205
  198   2HG1  ILE  26          HG11      ILE  26  59.541  -5.288  -7.259
  199   1HG2  ILE  26          HG21      ILE  26  56.129  -3.665  -7.287
  200   2HG2  ILE  26          HG23      ILE  26  56.507  -4.164  -5.638
  201   3HG2  ILE  26          HG22      ILE  26  56.594  -2.460  -6.087
  202   1HD1  ILE  26          HD13      ILE  26  56.781  -5.799  -6.116
  203   2HD1  ILE  26          HD12      ILE  26  57.934  -7.064  -6.547
  204   3HD1  ILE  26          HD11      ILE  26  58.314  -5.926  -5.254
  205    H    PHE  27           HN       PHE  27  60.100  -0.858  -7.239
  206    HA   PHE  27           HA       PHE  27  57.881   1.161  -7.132
  207   1HB   PHE  27           HB2      PHE  27  60.230   0.657  -5.283
  208   2HB   PHE  27           HB1      PHE  27  59.195   2.081  -5.175
  209    HD1  PHE  27           HD1      PHE  27  59.299  -1.609  -4.865
  210    HD2  PHE  27           HD2      PHE  27  56.947   1.943  -4.309
  211    HE1  PHE  27           HE1      PHE  27  57.641  -2.910  -3.557
  212    HE2  PHE  27           HE2      PHE  27  55.291   0.642  -3.002
  213    HZ   PHE  27           HZ       PHE  27  55.637  -1.784  -2.626
  214    H    VAL  28           HN       VAL  28  59.775   0.613  -9.344
  215    HA   VAL  28           HA       VAL  28  61.619   2.950  -9.243
  216    HB   VAL  28           HB       VAL  28  61.251   0.547 -11.050
  217   1HG1  VAL  28          HG12      VAL  28  62.973   2.999 -11.404
  218   2HG1  VAL  28          HG11      VAL  28  63.429   1.447 -12.106
  219   3HG1  VAL  28          HG13      VAL  28  61.918   2.220 -12.583
  220   1HG2  VAL  28          HG22      VAL  28  62.394   0.269  -8.837
  221   2HG2  VAL  28          HG21      VAL  28  63.451  -0.069 -10.209
  222   3HG2  VAL  28          HG23      VAL  28  63.586   1.464  -9.346
  223    H    LEU  29           HN       LEU  29  58.521   2.896  -9.684
  224    HA   LEU  29           HA       LEU  29  57.631   3.523 -12.205
  225   1HB   LEU  29           HB2      LEU  29  56.160   5.190 -11.022
  226   2HB   LEU  29           HB1      LEU  29  56.257   3.633 -10.199
  227    HG   LEU  29           HG       LEU  29  58.402   5.039  -9.144
  228   1HD1  LEU  29          HD11      LEU  29  56.850   6.976 -10.344
  229   2HD1  LEU  29          HD13      LEU  29  56.224   6.964  -8.695
  230   3HD1  LEU  29          HD12      LEU  29  57.939   7.255  -8.985
  231   1HD2  LEU  29          HD23      LEU  29  55.582   4.502  -8.213
  232   2HD2  LEU  29          HD22      LEU  29  57.071   3.687  -7.735
  233   3HD2  LEU  29          HD21      LEU  29  56.740   5.323  -7.168
  234    H    GLY  30           HN       GLY  30  59.229   4.462 -13.578
  235   1HA   GLY  30           HA2      GLY  30  60.257   6.290 -14.643
  236   2HA   GLY  30           HA1      GLY  30  59.392   7.348 -13.525
  237    H    ALA  31           HN       ALA  31  60.679   8.446 -12.135
  238    HA   ALA  31           HA       ALA  31  62.655   9.078 -10.985
  239   1HB   ALA  31           HB1      ALA  31  61.499   6.872  -9.941
  240   2HB   ALA  31           HB3      ALA  31  63.084   6.203 -10.333
  241   3HB   ALA  31           HB2      ALA  31  62.955   7.590  -9.252
  242    H    GLU  32           HN       GLU  32  63.650   9.370 -13.251
  243    HA   GLU  32           HA       GLU  32  65.524   9.157 -14.659
  244   1HB   GLU  32           HB2      GLU  32  66.307   7.856 -12.062
  245   2HB   GLU  32           HB1      GLU  32  67.419   7.806 -13.429
  246   1HG   GLU  32           HG2      GLU  32  66.197  10.448 -12.868
  247   2HG   GLU  32           HG1      GLU  32  67.336   9.859 -11.657
  248    H    ASP  33           HN       ASP  33  65.690   5.997 -13.030
  249    HA   ASP  33           HA       ASP  33  64.372   4.383 -14.926
  250   1HB   ASP  33           HB2      ASP  33  66.536   3.671 -16.205
  251   2HB   ASP  33           HB1      ASP  33  65.748   5.177 -16.672
  252    H    GLY  34           HN       GLY  34  64.765   4.149 -12.197
  253   1HA   GLY  34           HA2      GLY  34  65.150   1.658 -11.442
  254   2HA   GLY  34           HA1      GLY  34  66.828   2.031 -11.843
  255    H    CYS  35           HN       CYS  35  64.346   4.032 -10.243
  256    HA   CYS  35           HA       CYS  35  65.963   3.971  -7.736
  257   1HB   CYS  35           HB2      CYS  35  65.028   6.496  -9.135
  258   2HB   CYS  35           HB1      CYS  35  66.064   6.396  -7.711
  259    HG   CYS  35           HG       CYS  35  67.554   4.894  -9.702
  260    H    ILE  36           HN       ILE  36  64.656   4.170  -5.887
  261    HA   ILE  36           HA       ILE  36  61.714   4.333  -6.399
  262    HB   ILE  36           HB       ILE  36  61.559   3.150  -4.259
  263   1HG1  ILE  36          HG12      ILE  36  64.585   3.320  -4.157
  264   2HG1  ILE  36          HG11      ILE  36  63.520   4.384  -3.237
  265   1HG2  ILE  36          HG23      ILE  36  62.824   2.184  -6.594
  266   2HG2  ILE  36          HG22      ILE  36  63.740   1.529  -5.236
  267   3HG2  ILE  36          HG21      ILE  36  62.005   1.235  -5.353
  268   1HD1  ILE  36          HD12      ILE  36  63.007   1.456  -3.037
  269   2HD1  ILE  36          HD11      ILE  36  64.443   2.076  -2.224
  270   3HD1  ILE  36          HD13      ILE  36  62.851   2.710  -1.808
  271    H    SER  37           HN       SER  37  60.427   5.527  -4.744
  272    HA   SER  37           HA       SER  37  61.628   8.139  -4.165
  273   1HB   SER  37           HB2      SER  37  59.143   7.198  -4.805
  274   2HB   SER  37           HB1      SER  37  58.980   7.403  -3.064
  275    HG   SER  37           HG       SER  37  59.507   9.294  -5.069
  276    H    THR  38           HN       THR  38  62.252   8.884  -2.138
  277    HA   THR  38           HA       THR  38  63.126   7.200  -0.093
  278    HB   THR  38           HB       THR  38  62.591   9.426   1.287
  279    HG1  THR  38           HG1      THR  38  61.478  10.726   0.087
  280   1HG2  THR  38          HG23      THR  38  64.508   9.297  -1.057
  281   2HG2  THR  38          HG22      THR  38  64.622  10.425   0.294
  282   3HG2  THR  38          HG21      THR  38  64.826   8.695   0.570
  283    H    LYS  39           HN       LYS  39  59.893   8.630  -0.507
  284    HA   LYS  39           HA       LYS  39  58.875   7.641   2.037
  285   1HB   LYS  39           HB2      LYS  39  56.815   8.584   1.237
  286   2HB   LYS  39           HB1      LYS  39  58.099   9.636   0.639
  287   1HG   LYS  39           HG2      LYS  39  58.072   8.251  -1.496
  288   2HG   LYS  39           HG1      LYS  39  56.589   7.510  -0.894
  289   1HD   LYS  39           HD2      LYS  39  56.915  10.507  -1.103
  290   2HD   LYS  39           HD1      LYS  39  56.298   9.535  -2.439
  291   1HE   LYS  39           HE2      LYS  39  54.728   8.572  -0.461
  292   2HE   LYS  39           HE1      LYS  39  54.999  10.215   0.153
  293   1HZ   LYS  39           HZ1      LYS  39  54.148   9.536  -2.615
  294   2HZ   LYS  39           HZ3      LYS  39  53.126  10.137  -1.402
  295   3HZ   LYS  39           HZ2      LYS  39  54.389  11.102  -2.000
  296    H    GLU  40           HN       GLU  40  59.358   6.266  -1.101
  297    HA   GLU  40           HA       GLU  40  57.297   4.186  -0.808
  298   1HB   GLU  40           HB2      GLU  40  59.582   4.611  -2.763
  299   2HB   GLU  40           HB1      GLU  40  58.290   3.426  -2.959
  300   1HG   GLU  40           HG2      GLU  40  57.547   6.289  -2.483
  301   2HG   GLU  40           HG1      GLU  40  58.101   5.814  -4.089
  302    H    LEU  41           HN       LEU  41  60.836   4.453  -0.525
  303    HA   LEU  41           HA       LEU  41  61.661   1.818  -0.298
  304   1HB   LEU  41           HB2      LEU  41  63.090   3.817  -0.093
  305   2HB   LEU  41           HB1      LEU  41  62.370   4.179   1.478
  306    HG   LEU  41           HG       LEU  41  63.488   1.446   1.145
  307   1HD1  LEU  41          HD11      LEU  41  65.054   3.895   0.704
  308   2HD1  LEU  41          HD13      LEU  41  65.701   2.865   1.981
  309   3HD1  LEU  41          HD12      LEU  41  65.472   2.217   0.357
  310   1HD2  LEU  41          HD22      LEU  41  63.245   3.560   3.272
  311   2HD2  LEU  41          HD21      LEU  41  62.678   1.890   3.298
  312   3HD2  LEU  41          HD23      LEU  41  64.398   2.241   3.476
  313    H    GLY  42           HN       GLY  42  60.033   3.751   2.225
  314   1HA   GLY  42           HA2      GLY  42  60.171   2.037   4.407
  315   2HA   GLY  42           HA1      GLY  42  58.739   3.006   4.051
  316    H    LYS  43           HN       LYS  43  57.409   1.993   2.116
  317    HA   LYS  43           HA       LYS  43  56.294  -0.462   2.948
  318   1HB   LYS  43           HB2      LYS  43  56.441   0.831   0.204
  319   2HB   LYS  43           HB1      LYS  43  55.289  -0.424   0.663
  320   1HG   LYS  43           HG2      LYS  43  55.543   2.209   2.138
  321   2HG   LYS  43           HG1      LYS  43  54.398   1.946   0.822
  322   1HD   LYS  43           HD2      LYS  43  54.110  -0.261   2.564
  323   2HD   LYS  43           HD1      LYS  43  54.167   1.173   3.590
  324   1HE   LYS  43           HE2      LYS  43  52.373   0.911   1.151
  325   2HE   LYS  43           HE1      LYS  43  51.838   0.636   2.820
  326   1HZ   LYS  43           HZ3      LYS  43  53.310   3.089   2.110
  327   2HZ   LYS  43           HZ2      LYS  43  51.636   2.998   1.842
  328   3HZ   LYS  43           HZ1      LYS  43  52.259   2.819   3.412
  329    H    VAL  44           HN       VAL  44  58.978   0.177   0.723
  330    HA   VAL  44           HA       VAL  44  59.215  -2.515  -0.294
  331    HB   VAL  44           HB       VAL  44  60.965  -0.060  -0.118
  332   1HG1  VAL  44          HG12      VAL  44  62.445  -2.034   0.000
  333   2HG1  VAL  44          HG11      VAL  44  61.661  -2.705  -1.430
  334   3HG1  VAL  44          HG13      VAL  44  62.599  -1.217  -1.556
  335   1HG2  VAL  44          HG23      VAL  44  59.058  -0.094  -1.709
  336   2HG2  VAL  44          HG22      VAL  44  60.607  -0.045  -2.552
  337   3HG2  VAL  44          HG21      VAL  44  59.711  -1.561  -2.440
  338    H    MET  45           HN       MET  45  60.681  -0.770   2.440
  339    HA   MET  45           HA       MET  45  62.602  -2.755   3.186
  340   1HB   MET  45           HB2      MET  45  61.134  -0.489   4.510
  341   2HB   MET  45           HB1      MET  45  62.156  -1.545   5.487
  342   1HG   MET  45           HG2      MET  45  63.155  -0.261   2.940
  343   2HG   MET  45           HG1      MET  45  63.283   0.541   4.506
  344   1HE   MET  45           HE1      MET  45  64.931   0.678   5.575
  345   2HE   MET  45           HE3      MET  45  65.111  -0.718   6.647
  346   3HE   MET  45           HE2      MET  45  66.431  -0.246   5.582
  347    H    ARG  46           HN       ARG  46  59.155  -2.388   3.900
  348    HA   ARG  46           HA       ARG  46  59.058  -4.451   5.943
  349   1HB   ARG  46           HB2      ARG  46  56.818  -3.450   4.170
  350   2HB   ARG  46           HB1      ARG  46  56.703  -4.033   5.829
  351   1HG   ARG  46           HG2      ARG  46  58.529  -1.983   6.062
  352   2HG   ARG  46           HG1      ARG  46  57.425  -1.363   4.834
  353   1HD   ARG  46           HD2      ARG  46  55.501  -1.821   6.326
  354   2HD   ARG  46           HD1      ARG  46  56.619  -2.420   7.569
  355    HE   ARG  46           HE       ARG  46  57.614   0.090   6.840
  356   1HH1  ARG  46          HH11      ARG  46  54.891   1.041   6.424
  357   2HH1  ARG  46          HH12      ARG  46  54.360   1.474   8.015
  358   1HH2  ARG  46          HH21      ARG  46  56.847  -0.330   9.622
  359   2HH2  ARG  46          HH22      ARG  46  55.469   0.698   9.825
  360    H    MET  47           HN       MET  47  58.709  -4.381   2.430
  361    HA   MET  47           HA       MET  47  57.563  -7.020   2.142
  362   1HB   MET  47           HB2      MET  47  58.862  -4.927   0.447
  363   2HB   MET  47           HB1      MET  47  58.710  -6.550  -0.229
  364   1HG   MET  47           HG2      MET  47  56.419  -6.447  -0.324
  365   2HG   MET  47           HG1      MET  47  56.301  -5.436   1.115
  366   1HE   MET  47           HE1      MET  47  55.747  -5.795  -2.292
  367   2HE   MET  47           HE3      MET  47  56.076  -4.292  -3.165
  368   3HE   MET  47           HE2      MET  47  57.395  -5.389  -2.764
  369    H    LEU  48           HN       LEU  48  60.618  -6.047   3.182
  370    HA   LEU  48           HA       LEU  48  61.878  -8.586   2.194
  371   1HB   LEU  48           HB2      LEU  48  63.009  -5.874   2.945
  372   2HB   LEU  48           HB1      LEU  48  64.011  -7.278   2.577
  373    HG   LEU  48           HG       LEU  48  61.875  -6.486   0.632
  374   1HD1  LEU  48          HD11      LEU  48  64.038  -4.767   1.462
  375   2HD1  LEU  48          HD13      LEU  48  64.296  -5.284  -0.204
  376   3HD1  LEU  48          HD12      LEU  48  62.798  -4.470   0.244
  377   1HD2  LEU  48          HD21      LEU  48  64.660  -7.674   0.412
  378   2HD2  LEU  48          HD23      LEU  48  63.138  -8.554   0.275
  379   3HD2  LEU  48          HD22      LEU  48  63.587  -7.372  -0.954
  380    H    GLY  49           HN       GLY  49  60.709  -6.935   4.942
  381   1HA   GLY  49           HA2      GLY  49  60.553  -8.095   7.084
  382   2HA   GLY  49           HA1      GLY  49  62.066  -8.918   6.704
  383    H    GLN  50           HN       GLN  50  60.889  -5.550   7.054
  384    HA   GLN  50           HA       GLN  50  63.019  -4.996   9.016
  385   1HB   GLN  50           HB2      GLN  50  63.150  -4.348   6.143
  386   2HB   GLN  50           HB1      GLN  50  63.469  -2.971   7.198
  387   1HG   GLN  50           HG2      GLN  50  64.848  -5.667   7.381
  388   2HG   GLN  50           HG1      GLN  50  65.550  -4.210   6.675
  389   1HE2  GLN  50          HE22      GLN  50  66.202  -4.692  10.489
  390   2HE2  GLN  50          HE21      GLN  50  66.062  -5.899   9.303
  391    H    ASN  51           HN       ASN  51  62.171  -3.547  10.465
  392    HA   ASN  51           HA       ASN  51  59.883  -1.834   9.554
  393   1HB   ASN  51           HB2      ASN  51  60.473  -3.471  11.986
  394   2HB   ASN  51           HB1      ASN  51  59.519  -2.002  12.199
  395   1HD2  ASN  51          HD22      ASN  51  56.791  -3.237  10.150
  396   2HD2  ASN  51          HD21      ASN  51  57.635  -1.804  10.490
  397    HA   PRO  52           HA       PRO  52  63.399   0.855  11.000
  398   1HB   PRO  52           HB2      PRO  52  63.505   2.429   8.765
  399   2HB   PRO  52           HB1      PRO  52  64.420   0.916   8.923
  400   1HG   PRO  52           HG2      PRO  52  61.891   1.453   7.457
  401   2HG   PRO  52           HG1      PRO  52  63.245   0.398   7.027
  402   1HD   PRO  52           HD2      PRO  52  60.875  -0.495   8.078
  403   2HD   PRO  52           HD1      PRO  52  62.420  -1.359   8.226
  404    H    THR  53           HN       THR  53  63.072   2.983  11.841
  405    HA   THR  53           HA       THR  53  60.333   3.847  12.154
  406    HB   THR  53           HB       THR  53  63.064   4.976  12.818
  407    HG1  THR  53           HG1      THR  53  62.809   3.781  14.505
  408   1HG2  THR  53          HG21      THR  53  61.246   6.729  12.499
  409   2HG2  THR  53          HG23      THR  53  60.421   5.985  13.866
  410   3HG2  THR  53          HG22      THR  53  62.019   6.698  14.082
  411    HA   PRO  54           HA       PRO  54  60.101   6.379   8.544
  412   1HB   PRO  54           HB2      PRO  54  57.956   7.907   9.288
  413   2HB   PRO  54           HB1      PRO  54  57.803   6.220   8.759
  414   1HG   PRO  54           HG2      PRO  54  57.791   7.348  11.513
  415   2HG   PRO  54           HG1      PRO  54  56.830   6.028  10.828
  416   1HD   PRO  54           HD2      PRO  54  59.014   5.639  12.419
  417   2HD   PRO  54           HD1      PRO  54  58.468   4.473  11.192
  418    H    GLU  55           HN       GLU  55  59.946   7.912  11.760
  419    HA   GLU  55           HA       GLU  55  60.631  10.570  10.900
  420   1HB   GLU  55           HB2      GLU  55  59.872   9.251  13.221
  421   2HB   GLU  55           HB1      GLU  55  61.527   9.745  13.572
  422   1HG   GLU  55           HG2      GLU  55  60.507  11.997  12.367
  423   2HG   GLU  55           HG1      GLU  55  59.109  11.392  13.256
  424    H    GLU  56           HN       GLU  56  62.529   7.692  11.544
  425    HA   GLU  56           HA       GLU  56  65.080   9.187  11.619
  426   1HB   GLU  56           HB2      GLU  56  64.072   6.420  12.086
  427   2HB   GLU  56           HB1      GLU  56  65.759   6.580  11.598
  428   1HG   GLU  56           HG2      GLU  56  65.030   8.546  13.622
  429   2HG   GLU  56           HG1      GLU  56  64.763   6.896  14.185
  430    H    LEU  57           HN       LEU  57  63.210   7.153   9.413
  431    HA   LEU  57           HA       LEU  57  65.081   6.467   7.457
  432   1HB   LEU  57           HB2      LEU  57  62.274   6.654   7.775
  433   2HB   LEU  57           HB1      LEU  57  62.650   7.479   6.262
  434    HG   LEU  57           HG       LEU  57  64.205   5.356   5.891
  435   1HD1  LEU  57          HD13      LEU  57  63.123   4.671   8.309
  436   2HD1  LEU  57          HD12      LEU  57  62.013   3.867   7.198
  437   3HD1  LEU  57          HD11      LEU  57  63.739   3.506   7.135
  438   1HD2  LEU  57          HD22      LEU  57  61.435   6.031   5.248
  439   2HD2  LEU  57          HD21      LEU  57  62.689   5.353   4.210
  440   3HD2  LEU  57          HD23      LEU  57  61.715   4.289   5.225
  441    H    GLN  58           HN       GLN  58  63.054   9.426   7.294
  442    HA   GLN  58           HA       GLN  58  64.312  10.725   5.172
  443   1HB   GLN  58           HB2      GLN  58  62.611  11.352   7.429
  444   2HB   GLN  58           HB1      GLN  58  63.723  12.686   7.121
  445   1HG   GLN  58           HG2      GLN  58  62.247  11.386   4.842
  446   2HG   GLN  58           HG1      GLN  58  61.461  12.624   5.822
  447   1HE2  GLN  58          HE22      GLN  58  63.386  14.172   2.923
  448   2HE2  GLN  58          HE21      GLN  58  62.271  12.892   2.980
  449    H    GLU  59           HN       GLU  59  65.206  10.976   8.636
  450    HA   GLU  59           HA       GLU  59  67.395  12.733   8.404
  451   1HB   GLU  59           HB2      GLU  59  66.159  11.455  10.397
  452   2HB   GLU  59           HB1      GLU  59  67.536  10.365  10.232
  453   1HG   GLU  59           HG2      GLU  59  69.084  12.264  10.483
  454   2HG   GLU  59           HG1      GLU  59  67.714  13.366  10.634
  455    H    MET  60           HN       MET  60  67.364   9.167   8.100
  456    HA   MET  60           HA       MET  60  70.179   8.859   7.644
  457   1HB   MET  60           HB2      MET  60  67.803   7.201   6.732
  458   2HB   MET  60           HB1      MET  60  69.469   6.631   6.840
  459   1HG   MET  60           HG2      MET  60  69.429   6.515   9.133
  460   2HG   MET  60           HG1      MET  60  68.322   7.879   9.286
  461   1HE   MET  60           HE3      MET  60  69.161   4.535   8.816
  462   2HE   MET  60           HE2      MET  60  67.924   3.732   9.780
  463   3HE   MET  60           HE1      MET  60  67.817   3.704   8.022
  464    H    ILE  61           HN       ILE  61  67.453   8.862   5.308
  465    HA   ILE  61           HA       ILE  61  68.878   8.689   2.909
  466    HB   ILE  61           HB       ILE  61  66.447  10.351   3.647
  467   1HG1  ILE  61          HG12      ILE  61  66.431   7.701   2.227
  468   2HG1  ILE  61          HG11      ILE  61  66.600   7.744   3.983
  469   1HG2  ILE  61          HG23      ILE  61  67.905  10.412   1.262
  470   2HG2  ILE  61          HG22      ILE  61  66.567   9.312   0.927
  471   3HG2  ILE  61          HG21      ILE  61  66.241  10.955   1.481
  472   1HD1  ILE  61          HD13      ILE  61  64.459   9.443   2.800
  473   2HD1  ILE  61          HD12      ILE  61  64.197   7.698   2.778
  474   3HD1  ILE  61          HD11      ILE  61  64.466   8.530   4.310
  475    H    ASP  62           HN       ASP  62  68.756  11.351   5.164
  476    HA   ASP  62           HA       ASP  62  69.534  13.484   3.405
  477   1HB   ASP  62           HB2      ASP  62  68.913  13.054   6.111
  478   2HB   ASP  62           HB1      ASP  62  70.564  13.676   6.118
  479    H    GLU  63           HN       GLU  63  71.419  11.182   5.374
  480    HA   GLU  63           HA       GLU  63  73.969  12.328   4.445
  481   1HB   GLU  63           HB2      GLU  63  74.215  11.609   6.613
  482   2HB   GLU  63           HB1      GLU  63  72.935  10.408   6.460
  483   1HG   GLU  63           HG2      GLU  63  74.423   8.892   5.290
  484   2HG   GLU  63           HG1      GLU  63  75.698  10.111   5.249
  485    H    VAL  64           HN       VAL  64  71.705  10.336   3.064
  486    HA   VAL  64           HA       VAL  64  73.745   8.628   1.686
  487    HB   VAL  64           HB       VAL  64  70.735   8.380   2.006
  488   1HG1  VAL  64          HG11      VAL  64  72.810   6.710   0.590
  489   2HG1  VAL  64          HG13      VAL  64  71.316   5.989   1.189
  490   3HG1  VAL  64          HG12      VAL  64  71.253   7.276  -0.016
  491   1HG2  VAL  64          HG21      VAL  64  73.055   6.904   3.292
  492   2HG2  VAL  64          HG23      VAL  64  71.936   7.998   4.104
  493   3HG2  VAL  64          HG22      VAL  64  71.358   6.457   3.471
  494    H    ASP  65           HN       ASP  65  70.837  10.625   1.107
  495    HA   ASP  65           HA       ASP  65  71.186  10.559  -1.801
  496   1HB   ASP  65           HB2      ASP  65  69.323  11.672   0.238
  497   2HB   ASP  65           HB1      ASP  65  69.375  12.509  -1.314
  498    H    GLU  66           HN       GLU  66  73.389  11.464  -1.940
  499    HA   GLU  66           HA       GLU  66  74.300  13.899  -0.869
  500   1HB   GLU  66           HB2      GLU  66  74.768  12.562  -3.553
  501   2HB   GLU  66           HB1      GLU  66  75.758  13.885  -2.935
  502   1HG   GLU  66           HG2      GLU  66  76.914  12.492  -1.594
  503   2HG   GLU  66           HG1      GLU  66  75.430  11.809  -0.931
  504    H    ASP  67           HN       ASP  67  72.808  13.449  -4.105
  505    HA   ASP  67           HA       ASP  67  72.566  16.245  -4.687
  506   1HB   ASP  67           HB2      ASP  67  70.994  15.374  -6.434
  507   2HB   ASP  67           HB1      ASP  67  72.508  14.471  -6.370
  508    H    GLY  68           HN       GLY  68  70.879  14.307  -2.451
  509   1HA   GLY  68           HA2      GLY  68  68.999  14.744  -1.117
  510   2HA   GLY  68           HA1      GLY  68  69.158  16.430  -1.612
  511    H    SER  69           HN       SER  69  68.858  14.097  -4.137
  512    HA   SER  69           HA       SER  69  66.553  15.295  -5.293
  513   1HB   SER  69           HB2      SER  69  68.434  13.433  -5.980
  514   2HB   SER  69           HB1      SER  69  67.019  12.408  -5.761
  515    HG   SER  69           HG       SER  69  66.662  13.078  -7.747
  516    H    GLY  70           HN       GLY  70  66.881  12.654  -2.957
  517   1HA   GLY  70           HA2      GLY  70  65.130  12.106  -1.377
  518   2HA   GLY  70           HA1      GLY  70  63.950  12.803  -2.487
  519    H    THR  71           HN       THR  71  66.347  10.775  -3.899
  520    HA   THR  71           HA       THR  71  64.469   8.443  -3.888
  521    HB   THR  71           HB       THR  71  64.704   8.288  -6.299
  522    HG1  THR  71           HG1      THR  71  66.704  10.178  -5.805
  523   1HG2  THR  71          HG23      THR  71  63.419  10.365  -4.993
  524   2HG2  THR  71          HG22      THR  71  64.335  11.191  -6.254
  525   3HG2  THR  71          HG21      THR  71  63.191   9.921  -6.684
  526    H    VAL  72           HN       VAL  72  65.535   6.461  -3.791
  527    HA   VAL  72           HA       VAL  72  68.523   6.568  -3.660
  528    HB   VAL  72           HB       VAL  72  68.025   4.314  -2.416
  529   1HG1  VAL  72          HG11      VAL  72  67.682   7.133  -1.502
  530   2HG1  VAL  72          HG13      VAL  72  67.303   5.840  -0.363
  531   3HG1  VAL  72          HG12      VAL  72  68.920   5.950  -1.064
  532   1HG2  VAL  72          HG23      VAL  72  65.500   4.693  -3.202
  533   2HG2  VAL  72          HG22      VAL  72  65.879   3.920  -1.664
  534   3HG2  VAL  72          HG21      VAL  72  65.436   5.626  -1.708
  535    H    ASP  73           HN       ASP  73  69.732   4.933  -4.687
  536    HA   ASP  73           HA       ASP  73  68.265   3.406  -6.807
  537   1HB   ASP  73           HB2      ASP  73  71.075   4.534  -6.586
  538   2HB   ASP  73           HB1      ASP  73  70.565   3.473  -7.899
  539    H    PHE  74           HN       PHE  74  69.512   1.283  -7.346
  540    HA   PHE  74           HA       PHE  74  69.508  -0.523  -5.245
  541   1HB   PHE  74           HB2      PHE  74  70.066  -0.564  -7.908
  542   2HB   PHE  74           HB1      PHE  74  71.675  -0.856  -7.249
  543    HD1  PHE  74           HD2      PHE  74  68.208  -1.880  -6.240
  544    HD2  PHE  74           HD1      PHE  74  72.198  -3.120  -7.227
  545    HE1  PHE  74           HE2      PHE  74  67.588  -4.236  -5.776
  546    HE2  PHE  74           HE1      PHE  74  71.580  -5.479  -6.763
  547    HZ   PHE  74           HZ       PHE  74  69.275  -6.036  -6.037
  548    H    ASP  75           HN       ASP  75  72.029   1.785  -6.057
  549    HA   ASP  75           HA       ASP  75  74.047   0.594  -4.308
  550   1HB   ASP  75           HB2      ASP  75  74.628   1.878  -6.304
  551   2HB   ASP  75           HB1      ASP  75  73.767   3.286  -5.681
  552    H    GLU  76           HN       GLU  76  71.911   3.470  -4.119
  553    HA   GLU  76           HA       GLU  76  72.812   4.302  -1.515
  554   1HB   GLU  76           HB2      GLU  76  70.140   4.758  -2.875
  555   2HB   GLU  76           HB1      GLU  76  70.895   5.788  -1.659
  556   1HG   GLU  76           HG2      GLU  76  72.891   5.722  -3.474
  557   2HG   GLU  76           HG1      GLU  76  71.512   5.517  -4.554
  558    H    PHE  77           HN       PHE  77  69.856   2.523  -2.531
  559    HA   PHE  77           HA       PHE  77  68.787   2.089   0.062
  560   1HB   PHE  77           HB2      PHE  77  67.610   1.709  -2.066
  561   2HB   PHE  77           HB1      PHE  77  68.703   0.377  -2.444
  562    HD1  PHE  77           HD2      PHE  77  67.493   1.084   0.971
  563    HD2  PHE  77           HD1      PHE  77  66.989  -1.346  -2.535
  564    HE1  PHE  77           HE2      PHE  77  66.051  -0.469   2.256
  565    HE2  PHE  77           HE1      PHE  77  65.547  -2.900  -1.250
  566    HZ   PHE  77           HZ       PHE  77  65.077  -2.463   1.146
  567    H    LEU  78           HN       LEU  78  70.976   0.005  -1.861
  568    HA   LEU  78           HA       LEU  78  71.222  -2.196  -0.157
  569   1HB   LEU  78           HB2      LEU  78  72.972  -0.731  -2.087
  570   2HB   LEU  78           HB1      LEU  78  73.723  -1.985  -1.098
  571    HG   LEU  78           HG       LEU  78  71.209  -2.408  -2.737
  572   1HD1  LEU  78          HD11      LEU  78  73.430  -1.916  -3.995
  573   2HD1  LEU  78          HD13      LEU  78  73.943  -3.494  -3.396
  574   3HD1  LEU  78          HD12      LEU  78  72.526  -3.363  -4.441
  575   1HD2  LEU  78          HD21      LEU  78  72.966  -4.116  -0.997
  576   2HD2  LEU  78          HD23      LEU  78  71.205  -4.060  -1.085
  577   3HD2  LEU  78          HD22      LEU  78  72.127  -4.851  -2.363
  578    H    VAL  79           HN       VAL  79  73.110   0.850  -0.003
  579    HA   VAL  79           HA       VAL  79  74.690   0.129   2.275
  580    HB   VAL  79           HB       VAL  79  73.748   2.799   1.182
  581   1HG1  VAL  79          HG12      VAL  79  74.592   2.862   3.559
  582   2HG1  VAL  79          HG11      VAL  79  76.125   2.218   2.970
  583   3HG1  VAL  79          HG13      VAL  79  75.565   3.799   2.425
  584   1HG2  VAL  79          HG21      VAL  79  76.025   0.930   0.587
  585   2HG2  VAL  79          HG23      VAL  79  74.998   1.825  -0.534
  586   3HG2  VAL  79          HG22      VAL  79  76.255   2.666   0.374
  587    H    MET  80           HN       MET  80  71.726   2.143   2.070
  588    HA   MET  80           HA       MET  80  71.401   2.657   4.831
  589   1HB   MET  80           HB2      MET  80  69.558   2.365   2.462
  590   2HB   MET  80           HB1      MET  80  68.911   2.747   4.058
  591   1HG   MET  80           HG2      MET  80  70.940   4.533   3.953
  592   2HG   MET  80           HG1      MET  80  70.558   4.416   2.235
  593   1HE   MET  80           HE1      MET  80  69.026   5.073   1.123
  594   2HE   MET  80           HE3      MET  80  67.337   4.834   1.595
  595   3HE   MET  80           HE2      MET  80  68.009   6.460   1.503
  596    H    MET  81           HN       MET  81  70.835  -0.285   3.024
  597    HA   MET  81           HA       MET  81  69.086  -1.514   5.018
  598   1HB   MET  81           HB2      MET  81  70.104  -1.997   2.365
  599   2HB   MET  81           HB1      MET  81  70.343  -3.440   3.352
  600   1HG   MET  81           HG2      MET  81  67.734  -1.948   2.947
  601   2HG   MET  81           HG1      MET  81  68.138  -3.545   2.317
  602   1HE   MET  81           HE2      MET  81  66.304  -4.394   2.906
  603   2HE   MET  81           HE1      MET  81  66.621  -5.658   4.090
  604   3HE   MET  81           HE3      MET  81  65.457  -4.375   4.451
  605    H    VAL  82           HN       VAL  82  72.489  -2.053   4.014
  606    HA   VAL  82           HA       VAL  82  73.063  -3.935   6.123
  607    HB   VAL  82           HB       VAL  82  75.394  -3.535   5.368
  608   1HG1  VAL  82          HG13      VAL  82  73.156  -4.302   3.730
  609   2HG1  VAL  82          HG12      VAL  82  74.360  -3.500   2.724
  610   3HG1  VAL  82          HG11      VAL  82  74.811  -4.909   3.684
  611   1HG2  VAL  82          HG21      VAL  82  74.500  -0.962   4.896
  612   2HG2  VAL  82          HG23      VAL  82  76.032  -1.622   4.324
  613   3HG2  VAL  82          HG22      VAL  82  74.620  -1.630   3.268
  614    H    ARG  83           HN       ARG  83  72.663  -0.538   6.147
  615    HA   ARG  83           HA       ARG  83  74.477  -0.100   8.451
  616   1HB   ARG  83           HB2      ARG  83  73.862   1.407   6.327
  617   2HB   ARG  83           HB1      ARG  83  72.569   1.948   7.399
  618   1HG   ARG  83           HG2      ARG  83  74.947   1.860   8.951
  619   2HG   ARG  83           HG1      ARG  83  75.345   2.685   7.443
  620   1HD   ARG  83           HD2      ARG  83  74.542   4.424   8.854
  621   2HD   ARG  83           HD1      ARG  83  73.135   4.016   7.853
  622    HE   ARG  83           HE       ARG  83  72.177   2.844   9.727
  623   1HH1  ARG  83          HH11      ARG  83  75.500   3.242  10.306
  624   2HH1  ARG  83          HH12      ARG  83  75.340   3.427  12.020
  625   1HH2  ARG  83          HH21      ARG  83  71.874   3.465  11.960
  626   2HH2  ARG  83          HH22      ARG  83  73.288   3.553  12.957
  627    H    CYS  84           HN       CYS  84  71.132  -0.765   7.805
  628    HA   CYS  84           HA       CYS  84  70.229   0.270  10.432
  629   1HB   CYS  84           HB2      CYS  84  68.928   0.538   8.312
  630   2HB   CYS  84           HB1      CYS  84  68.772  -1.217   8.221
  631    HG   CYS  84           HG       CYS  84  67.000   0.533   9.853
  632    H    MET  85           HN       MET  85  71.068  -2.761   8.869
  633    HA   MET  85           HA       MET  85  69.871  -4.418  10.991
  634   1HB   MET  85           HB2      MET  85  70.885  -6.235   9.615
  635   2HB   MET  85           HB1      MET  85  69.917  -5.128   8.639
  636   1HG   MET  85           HG2      MET  85  71.738  -4.295   7.535
  637   2HG   MET  85           HG1      MET  85  72.776  -4.402   8.956
  638   1HE   MET  85           HE1      MET  85  70.721  -6.112   6.484
  639   2HE   MET  85           HE3      MET  85  72.136  -6.225   5.428
  640   3HE   MET  85           HE2      MET  85  71.436  -7.682   6.130
  641    H    LYS  86           HN       LYS  86  71.795  -2.535  11.992
  642    HA   LYS  86           HA       LYS  86  74.162  -4.264  12.610
  643   1HB   LYS  86           HB2      LYS  86  74.384  -1.967  11.525
  644   2HB   LYS  86           HB1      LYS  86  73.797  -1.288  13.044
  645   1HG   LYS  86           HG2      LYS  86  75.656  -2.346  14.256
  646   2HG   LYS  86           HG1      LYS  86  76.239  -3.062  12.753
  647   1HD   LYS  86           HD2      LYS  86  75.852  -0.237  12.367
  648   2HD   LYS  86           HD1      LYS  86  76.857  -0.497  13.793
  649   1HE   LYS  86           HE2      LYS  86  77.511  -2.188  11.434
  650   2HE   LYS  86           HE1      LYS  86  77.887  -0.459  11.288
  651   1HZ   LYS  86           HZ3      LYS  86  78.821  -0.679  13.622
  652   2HZ   LYS  86           HZ2      LYS  86  78.778  -2.360  13.377
  653   3HZ   LYS  86           HZ1      LYS  86  79.734  -1.375  12.375
  654    H    ASP  87           HN       ASP  87  74.779  -4.514  14.828
  655    HA   ASP  87           HA       ASP  87  72.692  -4.760  16.750
  656   1HB   ASP  87           HB2      ASP  87  75.304  -5.526  16.468
  657   2HB   ASP  87           HB1      ASP  87  75.450  -4.294  17.721
  658    H    ASP  88           HN       ASP  88  71.537  -2.988  17.461
  659    HA   ASP  88           HA       ASP  88  73.084  -0.696  18.587
  660   1HB   ASP  88           HB2      ASP  88  71.732  -0.713  16.117
  661   2HB   ASP  88           HB1      ASP  88  70.665   0.157  17.221
  662    H    SER  89           HN       SER  89  72.351  -1.934  20.583
  663    HA   SER  89           HA       SER  89  69.970  -0.719  21.708
  664   1HB   SER  89           HB2      SER  89  68.699  -2.863  21.907
  665   2HB   SER  89           HB1      SER  89  68.923  -2.367  20.232
  666    HG   SER  89           HG       SER  89  70.515  -4.231  21.675
   
  No H/Q in entry =         666
  Start of MODEL   27
    1   1H    MET   1           HT1      MET   1  88.829   1.023  -4.098
    2   2H    MET   1           HT3      MET   1  88.164  -0.538  -4.118
    3   3H    MET   1           HT2      MET   1  87.145   0.819  -4.176
    4    HA   MET   1           HA       MET   1  87.115  -0.130  -1.953
    5   1HB   MET   1           HB2      MET   1  89.857  -0.469  -2.693
    6   2HB   MET   1           HB1      MET   1  89.811   0.489  -1.212
    7   1HG   MET   1           HG2      MET   1  88.664  -1.184  -0.017
    8   2HG   MET   1           HG1      MET   1  88.123  -1.991  -1.489
    9   1HE   MET   1           HE2      MET   1  90.005  -1.785   1.269
   10   2HE   MET   1           HE1      MET   1  90.231  -3.532   1.199
   11   3HE   MET   1           HE3      MET   1  91.626  -2.450   1.084
   12    H    ASP   2           HN       ASP   2  86.205   2.231  -2.812
   13    HA   ASP   2           HA       ASP   2  87.623   4.578  -1.927
   14   1HB   ASP   2           HB2      ASP   2  84.699   3.952  -2.443
   15   2HB   ASP   2           HB1      ASP   2  85.321   5.582  -2.185
   16    H    ASP   3           HN       ASP   3  84.438   3.964  -0.587
   17    HA   ASP   3           HA       ASP   3  85.471   4.586   2.122
   18   1HB   ASP   3           HB2      ASP   3  82.628   4.097   1.196
   19   2HB   ASP   3           HB1      ASP   3  83.159   5.022   2.600
   20    H    ILE   4           HN       ILE   4  83.517   3.204   3.627
   21    HA   ILE   4           HA       ILE   4  84.538   0.413   3.387
   22    HB   ILE   4           HB       ILE   4  84.023   0.281   5.723
   23   1HG1  ILE   4          HG12      ILE   4  82.512   2.896   5.424
   24   2HG1  ILE   4          HG11      ILE   4  81.740   1.310   5.478
   25   1HG2  ILE   4          HG23      ILE   4  85.562   2.425   4.650
   26   2HG2  ILE   4          HG22      ILE   4  84.722   3.041   6.074
   27   3HG2  ILE   4          HG21      ILE   4  85.762   1.623   6.208
   28   1HD1  ILE   4          HD12      ILE   4  83.179   1.044   7.686
   29   2HD1  ILE   4          HD11      ILE   4  83.149   2.807   7.658
   30   3HD1  ILE   4          HD13      ILE   4  81.638   1.900   7.721
   31    H    TYR   5           HN       TYR   5  81.608   2.318   3.162
   32    HA   TYR   5           HA       TYR   5  79.617   0.351   3.578
   33   1HB   TYR   5           HB2      TYR   5  79.792   2.697   1.661
   34   2HB   TYR   5           HB1      TYR   5  78.295   1.848   2.046
   35    HD1  TYR   5           HD2      TYR   5  77.276   2.019   4.262
   36    HD2  TYR   5           HD1      TYR   5  80.919   4.091   3.324
   37    HE1  TYR   5           HE2      TYR   5  77.019   3.396   6.308
   38    HE2  TYR   5           HE1      TYR   5  80.663   5.468   5.370
   39    HH   TYR   5           HH       TYR   5  79.002   4.774   7.856
   40    H    LYS   6           HN       LYS   6  81.232   1.266   0.507
   41    HA   LYS   6           HA       LYS   6  80.028  -0.402  -1.328
   42   1HB   LYS   6           HB2      LYS   6  81.875   1.125  -1.816
   43   2HB   LYS   6           HB1      LYS   6  82.985   0.121  -0.883
   44   1HG   LYS   6           HG2      LYS   6  83.297  -1.296  -2.611
   45   2HG   LYS   6           HG1      LYS   6  81.562  -1.428  -2.900
   46   1HD   LYS   6           HD2      LYS   6  83.228   0.947  -3.770
   47   2HD   LYS   6           HD1      LYS   6  82.851  -0.419  -4.820
   48   1HE   LYS   6           HE2      LYS   6  80.559   0.101  -4.893
   49   2HE   LYS   6           HE1      LYS   6  80.633   1.052  -3.396
   50   1HZ   LYS   6           HZ1      LYS   6  82.273   2.506  -4.651
   51   2HZ   LYS   6           HZ3      LYS   6  81.715   1.747  -6.061
   52   3HZ   LYS   6           HZ2      LYS   6  80.639   2.640  -5.097
   53    H    ALA   7           HN       ALA   7  82.292  -1.374   1.222
   54    HA   ALA   7           HA       ALA   7  82.802  -4.046   0.384
   55   1HB   ALA   7           HB2      ALA   7  83.893  -2.676   2.220
   56   2HB   ALA   7           HB1      ALA   7  82.475  -3.007   3.214
   57   3HB   ALA   7           HB3      ALA   7  83.506  -4.334   2.680
   58    H    ALA   8           HN       ALA   8  80.061  -2.611   2.102
   59    HA   ALA   8           HA       ALA   8  78.768  -4.870   3.143
   60   1HB   ALA   8           HB2      ALA   8  78.242  -2.249   2.960
   61   2HB   ALA   8           HB1      ALA   8  77.177  -2.810   1.670
   62   3HB   ALA   8           HB3      ALA   8  76.970  -3.419   3.312
   63    H    VAL   9           HN       VAL   9  78.132  -3.456  -0.097
   64    HA   VAL   9           HA       VAL   9  76.562  -5.662  -1.039
   65    HB   VAL   9           HB       VAL   9  78.252  -3.727  -2.649
   66   1HG1  VAL   9          HG11      VAL   9  75.752  -5.342  -3.149
   67   2HG1  VAL   9          HG13      VAL   9  76.124  -3.912  -4.113
   68   3HG1  VAL   9          HG12      VAL   9  77.232  -5.284  -4.107
   69   1HG2  VAL   9          HG23      VAL   9  75.873  -3.305  -0.918
   70   2HG2  VAL   9          HG22      VAL   9  77.136  -2.169  -1.388
   71   3HG2  VAL   9          HG21      VAL   9  75.824  -2.540  -2.505
   72    H    GLU  10           HN       GLU  10  80.031  -5.064  -0.965
   73    HA   GLU  10           HA       GLU  10  80.944  -6.906  -2.909
   74   1HB   GLU  10           HB2      GLU  10  81.932  -5.355  -0.700
   75   2HB   GLU  10           HB1      GLU  10  82.652  -6.962  -0.630
   76   1HG   GLU  10           HG2      GLU  10  82.906  -6.512  -3.268
   77   2HG   GLU  10           HG1      GLU  10  82.951  -4.842  -2.698
   78    H    GLN  11           HN       GLN  11  79.545  -7.457   0.250
   79    HA   GLN  11           HA       GLN  11  80.437 -10.277   0.345
   80   1HB   GLN  11           HB2      GLN  11  78.674  -8.552   2.115
   81   2HB   GLN  11           HB1      GLN  11  79.186 -10.193   2.511
   82   1HG   GLN  11           HG2      GLN  11  81.577  -9.412   2.261
   83   2HG   GLN  11           HG1      GLN  11  80.957  -7.766   2.127
   84   1HE2  GLN  11          HE22      GLN  11  81.439  -9.324   5.771
   85   2HE2  GLN  11          HE21      GLN  11  82.137  -9.972   4.366
   86    H    LEU  12           HN       LEU  12  77.403  -8.429  -0.026
   87    HA   LEU  12           HA       LEU  12  75.547 -10.546  -0.089
   88   1HB   LEU  12           HB2      LEU  12  75.760  -7.902  -1.549
   89   2HB   LEU  12           HB1      LEU  12  74.320  -8.916  -1.656
   90    HG   LEU  12           HG       LEU  12  75.495  -8.098   1.004
   91   1HD1  LEU  12          HD12      LEU  12  74.529  -6.283  -0.829
   92   2HD1  LEU  12          HD11      LEU  12  73.081  -6.686   0.093
   93   3HD1  LEU  12          HD13      LEU  12  74.506  -6.058   0.920
   94   1HD2  LEU  12          HD22      LEU  12  72.783  -9.086   0.071
   95   2HD2  LEU  12          HD21      LEU  12  73.940  -9.968   1.069
   96   3HD2  LEU  12          HD23      LEU  12  73.125  -8.542   1.713
   97    H    THR  13           HN       THR  13  74.815 -11.930  -1.758
   98    HA   THR  13           HA       THR  13  76.672 -12.191  -4.089
   99    HB   THR  13           HB       THR  13  76.074 -14.509  -4.034
  100    HG1  THR  13           HG1      THR  13  74.348 -14.932  -2.261
  101   1HG2  THR  13          HG21      THR  13  77.073 -13.189  -1.765
  102   2HG2  THR  13          HG23      THR  13  75.889 -14.341  -1.145
  103   3HG2  THR  13          HG22      THR  13  77.229 -14.904  -2.144
  104    H    GLU  14           HN       GLU  14  75.562 -12.965  -6.145
  105    HA   GLU  14           HA       GLU  14  73.541 -11.161  -7.005
  106   1HB   GLU  14           HB2      GLU  14  75.258 -12.663  -8.268
  107   2HB   GLU  14           HB1      GLU  14  74.000 -13.898  -8.187
  108   1HG   GLU  14           HG2      GLU  14  72.473 -12.578  -9.442
  109   2HG   GLU  14           HG1      GLU  14  73.440 -11.118  -9.229
  110    H    GLU  15           HN       GLU  15  73.276 -14.599  -6.037
  111    HA   GLU  15           HA       GLU  15  70.461 -14.855  -6.450
  112   1HB   GLU  15           HB2      GLU  15  72.638 -16.394  -5.601
  113   2HB   GLU  15           HB1      GLU  15  71.539 -16.396  -4.221
  114   1HG   GLU  15           HG2      GLU  15  69.680 -17.045  -5.771
  115   2HG   GLU  15           HG1      GLU  15  70.866 -17.182  -7.071
  116    H    GLN  16           HN       GLN  16  72.351 -13.646  -3.707
  117    HA   GLN  16           HA       GLN  16  69.990 -13.432  -1.969
  118   1HB   GLN  16           HB2      GLN  16  71.815 -13.805  -0.644
  119   2HB   GLN  16           HB1      GLN  16  72.930 -13.182  -1.856
  120   1HG   GLN  16           HG2      GLN  16  72.793 -11.015  -1.070
  121   2HG   GLN  16           HG1      GLN  16  71.160 -11.230  -0.442
  122   1HE2  GLN  16          HE22      GLN  16  72.242 -12.311   2.750
  123   2HE2  GLN  16          HE21      GLN  16  70.920 -12.044   1.719
  124    H    LYS  17           HN       LYS  17  71.828 -11.399  -4.165
  125    HA   LYS  17           HA       LYS  17  70.653  -8.890  -3.186
  126   1HB   LYS  17           HB2      LYS  17  72.460  -9.768  -5.438
  127   2HB   LYS  17           HB1      LYS  17  71.851  -8.114  -5.361
  128   1HG   LYS  17           HG2      LYS  17  72.711  -8.112  -2.927
  129   2HG   LYS  17           HG1      LYS  17  73.622  -9.552  -3.385
  130   1HD   LYS  17           HD2      LYS  17  73.760  -7.064  -5.075
  131   2HD   LYS  17           HD1      LYS  17  74.770  -7.224  -3.637
  132   1HE   LYS  17           HE2      LYS  17  75.575  -9.448  -4.557
  133   2HE   LYS  17           HE1      LYS  17  74.738  -9.039  -6.068
  134   1HZ   LYS  17           HZ3      LYS  17  76.671  -7.235  -4.719
  135   2HZ   LYS  17           HZ2      LYS  17  77.102  -8.291  -5.980
  136   3HZ   LYS  17           HZ1      LYS  17  75.986  -7.039  -6.258
  137    H    ASN  18           HN       ASN  18  69.897 -11.335  -5.559
  138    HA   ASN  18           HA       ASN  18  68.299  -9.810  -7.371
  139   1HB   ASN  18           HB2      ASN  18  68.830 -12.599  -6.637
  140   2HB   ASN  18           HB1      ASN  18  67.185 -12.351  -7.221
  141   1HD2  ASN  18          HD22      ASN  18  69.686 -12.847 -10.081
  142   2HD2  ASN  18          HD21      ASN  18  69.492 -13.695  -8.623
  143    H    GLU  19           HN       GLU  19  67.542 -11.330  -4.250
  144    HA   GLU  19           HA       GLU  19  64.760 -11.254  -4.186
  145   1HB   GLU  19           HB2      GLU  19  66.707 -11.771  -2.428
  146   2HB   GLU  19           HB1      GLU  19  66.289 -10.154  -1.861
  147   1HG   GLU  19           HG2      GLU  19  64.953 -11.808  -0.654
  148   2HG   GLU  19           HG1      GLU  19  63.904 -10.858  -1.708
  149    H    PHE  20           HN       PHE  20  66.927  -8.529  -3.308
  150    HA   PHE  20           HA       PHE  20  64.868  -6.595  -2.903
  151   1HB   PHE  20           HB2      PHE  20  67.799  -6.561  -3.601
  152   2HB   PHE  20           HB1      PHE  20  66.897  -5.048  -3.511
  153    HD1  PHE  20           HD1      PHE  20  64.985  -5.585  -1.339
  154    HD2  PHE  20           HD2      PHE  20  69.144  -6.604  -1.668
  155    HE1  PHE  20           HE1      PHE  20  65.171  -5.621   1.133
  156    HE2  PHE  20           HE2      PHE  20  69.331  -6.639   0.804
  157    HZ   PHE  20           HZ       PHE  20  67.345  -6.148   2.205
  158    H    LYS  21           HN       LYS  21  66.770  -7.421  -5.812
  159    HA   LYS  21           HA       LYS  21  65.887  -5.449  -7.593
  160   1HB   LYS  21           HB2      LYS  21  67.535  -7.430  -7.838
  161   2HB   LYS  21           HB1      LYS  21  66.122  -8.376  -8.307
  162   1HG   LYS  21           HG2      LYS  21  65.648  -6.475  -9.993
  163   2HG   LYS  21           HG1      LYS  21  67.313  -5.977  -9.695
  164   1HD   LYS  21           HD2      LYS  21  68.188  -7.770 -10.802
  165   2HD   LYS  21           HD1      LYS  21  66.933  -8.866 -10.222
  166   1HE   LYS  21           HE2      LYS  21  65.377  -8.123 -11.888
  167   2HE   LYS  21           HE1      LYS  21  66.401  -6.739 -12.320
  168   1HZ   LYS  21           HZ1      LYS  21  67.381  -9.529 -12.473
  169   2HZ   LYS  21           HZ3      LYS  21  66.600  -8.788 -13.783
  170   3HZ   LYS  21           HZ2      LYS  21  68.051  -8.139 -13.183
  171    H    ALA  22           HN       ALA  22  64.241  -8.480  -6.677
  172    HA   ALA  22           HA       ALA  22  61.972  -8.024  -8.452
  173   1HB   ALA  22           HB3      ALA  22  63.086 -10.079  -6.837
  174   2HB   ALA  22           HB2      ALA  22  61.441  -9.813  -6.257
  175   3HB   ALA  22           HB1      ALA  22  61.725 -10.212  -7.951
  176    H    ALA  23           HN       ALA  23  62.918  -6.605  -5.541
  177    HA   ALA  23           HA       ALA  23  60.073  -5.951  -4.836
  178   1HB   ALA  23           HB1      ALA  23  61.856  -7.292  -3.321
  179   2HB   ALA  23           HB3      ALA  23  62.298  -5.644  -2.873
  180   3HB   ALA  23           HB2      ALA  23  60.648  -6.216  -2.617
  181    H    PHE  24           HN       PHE  24  63.124  -4.732  -5.853
  182    HA   PHE  24           HA       PHE  24  62.609  -1.984  -4.870
  183   1HB   PHE  24           HB2      PHE  24  64.863  -2.823  -4.736
  184   2HB   PHE  24           HB1      PHE  24  64.823  -3.359  -6.416
  185    HD1  PHE  24           HD2      PHE  24  64.571  -0.293  -4.287
  186    HD2  PHE  24           HD1      PHE  24  65.521  -1.924  -8.146
  187    HE1  PHE  24           HE2      PHE  24  65.407   1.925  -5.019
  188    HE2  PHE  24           HE1      PHE  24  66.356   0.293  -8.878
  189    HZ   PHE  24           HZ       PHE  24  66.299   2.217  -7.314
  190    H    ASP  25           HN       ASP  25  63.019  -3.674  -8.002
  191    HA   ASP  25           HA       ASP  25  62.517  -1.449  -9.702
  192   1HB   ASP  25           HB2      ASP  25  62.171  -4.441  -9.898
  193   2HB   ASP  25           HB1      ASP  25  61.774  -3.392 -11.260
  194    H    ILE  26           HN       ILE  26  60.382  -3.168  -7.617
  195    HA   ILE  26           HA       ILE  26  57.918  -2.810  -9.089
  196    HB   ILE  26           HB       ILE  26  58.638  -3.276  -6.187
  197   1HG1  ILE  26          HG12      ILE  26  57.729  -5.011  -8.495
  198   2HG1  ILE  26          HG11      ILE  26  59.220  -5.147  -7.561
  199   1HG2  ILE  26          HG21      ILE  26  55.928  -3.261  -7.547
  200   2HG2  ILE  26          HG23      ILE  26  56.226  -3.940  -5.948
  201   3HG2  ILE  26          HG22      ILE  26  56.453  -2.214  -6.229
  202   1HD1  ILE  26          HD13      ILE  26  57.571  -5.445  -5.531
  203   2HD1  ILE  26          HD12      ILE  26  56.425  -5.911  -6.788
  204   3HD1  ILE  26          HD11      ILE  26  57.926  -6.815  -6.584
  205    H    PHE  27           HN       PHE  27  59.970  -0.547  -7.694
  206    HA   PHE  27           HA       PHE  27  57.764   1.459  -7.582
  207   1HB   PHE  27           HB2      PHE  27  59.857   0.943  -5.443
  208   2HB   PHE  27           HB1      PHE  27  58.690   2.265  -5.418
  209    HD1  PHE  27           HD1      PHE  27  56.166   1.571  -5.689
  210    HD2  PHE  27           HD2      PHE  27  59.294  -1.097  -4.445
  211    HE1  PHE  27           HE1      PHE  27  54.478   0.062  -4.679
  212    HE2  PHE  27           HE2      PHE  27  57.606  -2.605  -3.433
  213    HZ   PHE  27           HZ       PHE  27  55.197  -2.025  -3.550
  214    H    VAL  28           HN       VAL  28  59.973   0.920  -9.502
  215    HA   VAL  28           HA       VAL  28  61.778   3.254  -9.057
  216    HB   VAL  28           HB       VAL  28  61.773   0.980 -11.069
  217   1HG1  VAL  28          HG12      VAL  28  63.147   3.476 -11.072
  218   2HG1  VAL  28          HG11      VAL  28  64.325   2.224 -10.685
  219   3HG1  VAL  28          HG13      VAL  28  63.375   2.113 -12.167
  220   1HG2  VAL  28          HG23      VAL  28  62.171   0.281  -8.722
  221   2HG2  VAL  28          HG22      VAL  28  63.626   0.104  -9.703
  222   3HG2  VAL  28          HG21      VAL  28  63.467   1.470  -8.598
  223    H    LEU  29           HN       LEU  29  58.858   3.377  -9.926
  224    HA   LEU  29           HA       LEU  29  58.367   3.894 -12.590
  225   1HB   LEU  29           HB2      LEU  29  56.838   5.705 -11.684
  226   2HB   LEU  29           HB1      LEU  29  56.698   4.153 -10.859
  227    HG   LEU  29           HG       LEU  29  58.727   5.413  -9.462
  228   1HD1  LEU  29          HD13      LEU  29  57.408   7.433 -10.899
  229   2HD1  LEU  29          HD12      LEU  29  56.748   7.527  -9.266
  230   3HD1  LEU  29          HD11      LEU  29  58.489   7.653  -9.522
  231   1HD2  LEU  29          HD23      LEU  29  56.589   4.112  -8.750
  232   2HD2  LEU  29          HD22      LEU  29  57.207   5.350  -7.659
  233   3HD2  LEU  29          HD21      LEU  29  55.824   5.699  -8.696
  234    H    GLY  30           HN       GLY  30  60.162   4.716 -13.767
  235   1HA   GLY  30           HA2      GLY  30  61.464   6.425 -14.713
  236   2HA   GLY  30           HA1      GLY  30  60.441   7.574 -13.850
  237    H    ALA  31           HN       ALA  31  61.400   8.693 -12.223
  238    HA   ALA  31           HA       ALA  31  62.996   9.303 -10.590
  239   1HB   ALA  31           HB3      ALA  31  62.122   6.962  -9.877
  240   2HB   ALA  31           HB2      ALA  31  63.663   6.360 -10.486
  241   3HB   ALA  31           HB1      ALA  31  63.632   7.525  -9.161
  242    H    GLU  32           HN       GLU  32  64.061  10.029 -12.819
  243    HA   GLU  32           HA       GLU  32  66.103  10.383 -13.952
  244   1HB   GLU  32           HB2      GLU  32  66.693   9.259 -11.307
  245   2HB   GLU  32           HB1      GLU  32  67.959   8.923 -12.489
  246   1HG   GLU  32           HG2      GLU  32  67.056  11.648 -12.781
  247   2HG   GLU  32           HG1      GLU  32  67.510  11.347 -11.104
  248    H    ASP  33           HN       ASP  33  66.643   7.106 -12.642
  249    HA   ASP  33           HA       ASP  33  65.977   5.677 -15.042
  250   1HB   ASP  33           HB2      ASP  33  68.022   7.236 -15.587
  251   2HB   ASP  33           HB1      ASP  33  68.949   6.020 -14.710
  252    H    GLY  34           HN       GLY  34  65.185   4.329 -13.236
  253   1HA   GLY  34           HA2      GLY  34  65.474   2.225 -12.155
  254   2HA   GLY  34           HA1      GLY  34  67.217   2.379 -12.379
  255    H    CYS  35           HN       CYS  35  64.785   4.451 -10.758
  256    HA   CYS  35           HA       CYS  35  66.204   4.036  -8.176
  257   1HB   CYS  35           HB2      CYS  35  65.734   6.733  -9.491
  258   2HB   CYS  35           HB1      CYS  35  66.497   6.466  -7.924
  259    HG   CYS  35           HG       CYS  35  68.438   5.174  -9.221
  260    H    ILE  36           HN       ILE  36  64.919   5.000  -6.349
  261    HA   ILE  36           HA       ILE  36  62.017   5.301  -7.058
  262    HB   ILE  36           HB       ILE  36  61.505   3.907  -5.156
  263   1HG1  ILE  36          HG12      ILE  36  64.473   3.740  -4.574
  264   2HG1  ILE  36          HG11      ILE  36  63.407   4.888  -3.763
  265   1HG2  ILE  36          HG21      ILE  36  62.241   2.760  -7.249
  266   2HG2  ILE  36          HG23      ILE  36  63.881   2.700  -6.602
  267   3HG2  ILE  36          HG22      ILE  36  62.583   1.817  -5.800
  268   1HD1  ILE  36          HD13      ILE  36  62.393   2.121  -3.815
  269   2HD1  ILE  36          HD12      ILE  36  63.876   2.335  -2.886
  270   3HD1  ILE  36          HD11      ILE  36  62.440   3.277  -2.484
  271    H    SER  37           HN       SER  37  60.796   6.353  -5.166
  272    HA   SER  37           HA       SER  37  62.162   8.826  -4.416
  273   1HB   SER  37           HB2      SER  37  60.008   9.537  -4.139
  274   2HB   SER  37           HB1      SER  37  59.593   8.029  -4.951
  275    HG   SER  37           HG       SER  37  58.497   7.846  -3.114
  276    H    THR  38           HN       THR  38  61.967   9.561  -2.037
  277    HA   THR  38           HA       THR  38  63.331   7.637  -0.334
  278    HB   THR  38           HB       THR  38  63.315   9.528   1.235
  279    HG1  THR  38           HG1      THR  38  61.644  10.769   1.186
  280   1HG2  THR  38          HG21      THR  38  64.239   9.627  -1.474
  281   2HG2  THR  38          HG23      THR  38  63.732  11.247  -0.996
  282   3HG2  THR  38          HG22      THR  38  64.945  10.388  -0.047
  283    H    LYS  39           HN       LYS  39  60.022   8.867  -0.603
  284    HA   LYS  39           HA       LYS  39  59.137   7.580   1.883
  285   1HB   LYS  39           HB2      LYS  39  56.969   8.496   1.186
  286   2HB   LYS  39           HB1      LYS  39  58.224   9.714   0.960
  287   1HG   LYS  39           HG2      LYS  39  58.062   9.652  -1.319
  288   2HG   LYS  39           HG1      LYS  39  57.745   7.916  -1.351
  289   1HD   LYS  39           HD2      LYS  39  55.443   8.385  -0.458
  290   2HD   LYS  39           HD1      LYS  39  55.775  10.107  -0.645
  291   1HE   LYS  39           HE2      LYS  39  55.829   9.973  -2.994
  292   2HE   LYS  39           HE1      LYS  39  56.140   8.226  -2.978
  293   1HZ   LYS  39           HZ1      LYS  39  53.905   8.184  -1.674
  294   2HZ   LYS  39           HZ3      LYS  39  53.633   9.668  -2.448
  295   3HZ   LYS  39           HZ2      LYS  39  53.891   8.265  -3.370
  296    H    GLU  40           HN       GLU  40  59.853   6.450  -1.199
  297    HA   GLU  40           HA       GLU  40  57.667   4.473  -1.374
  298   1HB   GLU  40           HB2      GLU  40  59.985   5.424  -3.000
  299   2HB   GLU  40           HB1      GLU  40  59.382   3.798  -3.322
  300   1HG   GLU  40           HG2      GLU  40  57.560   6.208  -3.184
  301   2HG   GLU  40           HG1      GLU  40  58.307   5.669  -4.688
  302    H    LEU  41           HN       LEU  41  61.228   4.417  -0.955
  303    HA   LEU  41           HA       LEU  41  61.581   1.631  -0.655
  304   1HB   LEU  41           HB2      LEU  41  63.613   2.353   0.631
  305   2HB   LEU  41           HB1      LEU  41  63.397   3.247  -0.874
  306    HG   LEU  41           HG       LEU  41  61.958   4.803   0.832
  307   1HD1  LEU  41          HD11      LEU  41  63.361   3.045   2.523
  308   2HD1  LEU  41          HD13      LEU  41  64.255   4.565   2.586
  309   3HD1  LEU  41          HD12      LEU  41  62.539   4.533   2.993
  310   1HD2  LEU  41          HD21      LEU  41  64.894   4.841   0.106
  311   2HD2  LEU  41          HD23      LEU  41  63.578   5.758  -0.630
  312   3HD2  LEU  41          HD22      LEU  41  64.137   6.165   0.993
  313    H    GLY  42           HN       GLY  42  60.096   3.922   1.507
  314   1HA   GLY  42           HA2      GLY  42  60.479   2.714   4.019
  315   2HA   GLY  42           HA1      GLY  42  59.013   3.584   3.564
  316    H    LYS  43           HN       LYS  43  57.601   2.192   1.943
  317    HA   LYS  43           HA       LYS  43  56.600  -0.066   3.335
  318   1HB   LYS  43           HB2      LYS  43  56.418   1.028   0.536
  319   2HB   LYS  43           HB1      LYS  43  55.621  -0.495   0.935
  320   1HG   LYS  43           HG2      LYS  43  54.284   0.549   2.631
  321   2HG   LYS  43           HG1      LYS  43  55.233   2.033   2.552
  322   1HD   LYS  43           HD2      LYS  43  53.767   2.809   1.029
  323   2HD   LYS  43           HD1      LYS  43  54.350   1.567  -0.081
  324   1HE   LYS  43           HE2      LYS  43  52.156   1.109   1.973
  325   2HE   LYS  43           HE1      LYS  43  51.867   1.452   0.256
  326   1HZ   LYS  43           HZ3      LYS  43  53.678  -0.708   1.171
  327   2HZ   LYS  43           HZ2      LYS  43  52.027  -0.976   0.869
  328   3HZ   LYS  43           HZ1      LYS  43  53.051  -0.463  -0.386
  329    H    VAL  44           HN       VAL  44  59.233   0.204   1.033
  330    HA   VAL  44           HA       VAL  44  59.360  -2.627   0.364
  331    HB   VAL  44           HB       VAL  44  61.124  -0.196   0.063
  332   1HG1  VAL  44          HG13      VAL  44  62.548  -2.227   0.425
  333   2HG1  VAL  44          HG12      VAL  44  61.746  -2.983  -0.951
  334   3HG1  VAL  44          HG11      VAL  44  62.720  -1.533  -1.187
  335   1HG2  VAL  44          HG21      VAL  44  59.048  -0.627  -1.365
  336   2HG2  VAL  44          HG23      VAL  44  60.552  -0.392  -2.255
  337   3HG2  VAL  44          HG22      VAL  44  59.908  -2.017  -2.027
  338    H    MET  45           HN       MET  45  60.829  -0.531   2.810
  339    HA   MET  45           HA       MET  45  62.858  -2.358   3.712
  340   1HB   MET  45           HB2      MET  45  61.446   0.092   4.671
  341   2HB   MET  45           HB1      MET  45  62.339  -0.842   5.872
  342   1HG   MET  45           HG2      MET  45  64.167  -0.798   3.876
  343   2HG   MET  45           HG1      MET  45  63.350   0.735   3.569
  344   1HE   MET  45           HE3      MET  45  65.964  -0.745   4.569
  345   2HE   MET  45           HE2      MET  45  66.825   0.539   5.413
  346   3HE   MET  45           HE1      MET  45  66.168  -0.818   6.324
  347    H    ARG  46           HN       ARG  46  59.521  -1.738   4.846
  348    HA   ARG  46           HA       ARG  46  59.639  -3.786   6.915
  349   1HB   ARG  46           HB2      ARG  46  57.273  -3.194   7.166
  350   2HB   ARG  46           HB1      ARG  46  58.224  -1.725   6.944
  351   1HG   ARG  46           HG2      ARG  46  57.652  -1.705   4.547
  352   2HG   ARG  46           HG1      ARG  46  56.708  -3.180   4.757
  353   1HD   ARG  46           HD2      ARG  46  56.151  -0.604   6.271
  354   2HD   ARG  46           HD1      ARG  46  55.293  -1.097   4.797
  355    HE   ARG  46           HE       ARG  46  55.282  -3.298   6.603
  356   1HH1  ARG  46          HH21      ARG  46  53.113  -1.378   5.194
  357   2HH1  ARG  46          HH22      ARG  46  52.078  -1.136   6.560
  358   1HH2  ARG  46          HH11      ARG  46  54.338  -2.445   8.841
  359   2HH2  ARG  46          HH12      ARG  46  52.772  -1.739   8.627
  360    H    MET  47           HN       MET  47  58.843  -3.717   3.515
  361    HA   MET  47           HA       MET  47  57.098  -5.894   3.209
  362   1HB   MET  47           HB2      MET  47  59.107  -4.426   1.664
  363   2HB   MET  47           HB1      MET  47  58.936  -6.098   1.129
  364   1HG   MET  47           HG2      MET  47  56.313  -5.312   1.511
  365   2HG   MET  47           HG1      MET  47  57.065  -3.854   0.864
  366   1HE   MET  47           HE1      MET  47  58.330  -3.667  -1.312
  367   2HE   MET  47           HE3      MET  47  57.462  -4.352  -2.693
  368   3HE   MET  47           HE2      MET  47  56.588  -3.450  -1.457
  369    H    LEU  48           HN       LEU  48  60.610  -5.914   3.756
  370    HA   LEU  48           HA       LEU  48  60.729  -8.862   3.579
  371   1HB   LEU  48           HB2      LEU  48  62.590  -6.537   3.806
  372   2HB   LEU  48           HB1      LEU  48  63.172  -8.093   4.395
  373    HG   LEU  48           HG       LEU  48  62.398  -9.072   2.166
  374   1HD1  LEU  48          HD11      LEU  48  62.288  -6.116   1.495
  375   2HD1  LEU  48          HD13      LEU  48  62.219  -7.422   0.312
  376   3HD1  LEU  48          HD12      LEU  48  60.924  -7.234   1.494
  377   1HD2  LEU  48          HD21      LEU  48  64.675  -7.174   2.584
  378   2HD2  LEU  48          HD23      LEU  48  64.708  -8.911   2.281
  379   3HD2  LEU  48          HD22      LEU  48  64.395  -7.789   0.955
  380    H    GLY  49           HN       GLY  49  60.219  -6.442   5.985
  381   1HA   GLY  49           HA2      GLY  49  59.350  -7.630   8.131
  382   2HA   GLY  49           HA1      GLY  49  60.960  -8.349   8.156
  383    H    GLN  50           HN       GLN  50  62.766  -6.557   7.880
  384    HA   GLN  50           HA       GLN  50  62.938  -4.983  10.160
  385   1HB   GLN  50           HB2      GLN  50  64.176  -5.137   7.506
  386   2HB   GLN  50           HB1      GLN  50  64.276  -3.522   8.212
  387   1HG   GLN  50           HG2      GLN  50  64.835  -5.498  10.236
  388   2HG   GLN  50           HG1      GLN  50  65.878  -5.769   8.840
  389   1HE2  GLN  50          HE21      GLN  50  66.384  -4.489  11.626
  390   2HE2  GLN  50          HE22      GLN  50  67.143  -3.017  11.254
  391    H    ASN  51           HN       ASN  51  61.876  -3.171  10.857
  392    HA   ASN  51           HA       ASN  51  60.742  -1.276   8.857
  393   1HB   ASN  51           HB2      ASN  51  58.597  -1.376  10.285
  394   2HB   ASN  51           HB1      ASN  51  58.916  -2.762   9.242
  395   1HD2  ASN  51          HD22      ASN  51  58.506  -4.794  12.105
  396   2HD2  ASN  51          HD21      ASN  51  57.946  -4.400  10.552
  397    HA   PRO  52           HA       PRO  52  62.691   0.869  12.405
  398   1HB   PRO  52           HB2      PRO  52  63.764   2.884  10.899
  399   2HB   PRO  52           HB1      PRO  52  64.570   1.320  11.133
  400   1HG   PRO  52           HG2      PRO  52  63.014   2.317   8.806
  401   2HG   PRO  52           HG1      PRO  52  64.465   1.305   8.844
  402   1HD   PRO  52           HD2      PRO  52  61.936   0.341   8.419
  403   2HD   PRO  52           HD1      PRO  52  63.268  -0.622   9.095
  404    H    THR  53           HN       THR  53  62.554   3.489  12.706
  405    HA   THR  53           HA       THR  53  59.723   4.121  12.738
  406    HB   THR  53           HB       THR  53  61.258   6.437  13.218
  407    HG1  THR  53           HG1      THR  53  62.507   4.370  14.602
  408   1HG2  THR  53          HG21      THR  53  59.322   5.192  14.489
  409   2HG2  THR  53          HG23      THR  53  60.651   4.444  15.376
  410   3HG2  THR  53          HG22      THR  53  60.457   6.196  15.391
  411    HA   PRO  54           HA       PRO  54  59.378   6.160   8.862
  412   1HB   PRO  54           HB2      PRO  54  57.431   7.994   9.447
  413   2HB   PRO  54           HB1      PRO  54  57.101   6.259   9.260
  414   1HG   PRO  54           HG2      PRO  54  57.403   7.872  11.741
  415   2HG   PRO  54           HG1      PRO  54  56.293   6.539  11.389
  416   1HD   PRO  54           HD2      PRO  54  58.570   6.262  12.873
  417   2HD   PRO  54           HD1      PRO  54  57.831   4.940  11.943
  418    H    GLU  55           HN       GLU  55  59.765   8.174  11.760
  419    HA   GLU  55           HA       GLU  55  60.636  10.533  10.255
  420   1HB   GLU  55           HB2      GLU  55  60.279   9.665  13.098
  421   2HB   GLU  55           HB1      GLU  55  61.321  11.055  12.789
  422   1HG   GLU  55           HG2      GLU  55  59.557  12.385  12.330
  423   2HG   GLU  55           HG1      GLU  55  58.858  11.190  11.237
  424    H    GLU  56           HN       GLU  56  62.115   7.662  11.506
  425    HA   GLU  56           HA       GLU  56  64.835   8.834  11.570
  426   1HB   GLU  56           HB2      GLU  56  63.566   6.156  12.176
  427   2HB   GLU  56           HB1      GLU  56  65.319   6.355  12.147
  428   1HG   GLU  56           HG2      GLU  56  64.025   8.477  13.668
  429   2HG   GLU  56           HG1      GLU  56  63.636   6.882  14.314
  430    H    LEU  57           HN       LEU  57  63.256   6.071   9.934
  431    HA   LEU  57           HA       LEU  57  65.160   5.339   8.078
  432   1HB   LEU  57           HB2      LEU  57  63.207   4.099   8.006
  433   2HB   LEU  57           HB1      LEU  57  62.182   5.518   8.185
  434    HG   LEU  57           HG       LEU  57  62.124   4.310   5.918
  435   1HD1  LEU  57          HD11      LEU  57  61.947   7.034   6.649
  436   2HD1  LEU  57          HD13      LEU  57  62.812   6.991   5.111
  437   3HD1  LEU  57          HD12      LEU  57  61.217   6.251   5.246
  438   1HD2  LEU  57          HD21      LEU  57  64.912   4.765   6.127
  439   2HD2  LEU  57          HD23      LEU  57  64.039   4.094   4.749
  440   3HD2  LEU  57          HD22      LEU  57  64.331   5.830   4.846
  441    H    GLN  58           HN       GLN  58  63.055   8.202   7.935
  442    HA   GLN  58           HA       GLN  58  63.887   9.026   5.281
  443   1HB   GLN  58           HB2      GLN  58  62.111   9.834   7.421
  444   2HB   GLN  58           HB1      GLN  58  62.973  11.235   6.786
  445   1HG   GLN  58           HG2      GLN  58  62.224   9.662   4.549
  446   2HG   GLN  58           HG1      GLN  58  60.803   9.777   5.588
  447   1HE2  GLN  58          HE22      GLN  58  62.056  13.041   3.543
  448   2HE2  GLN  58          HE21      GLN  58  62.833  11.541   3.385
  449    H    GLU  59           HN       GLU  59  64.675  10.267   8.556
  450    HA   GLU  59           HA       GLU  59  66.502  12.264   7.955
  451   1HB   GLU  59           HB2      GLU  59  66.098  10.265  10.113
  452   2HB   GLU  59           HB1      GLU  59  67.672  11.062  10.098
  453   1HG   GLU  59           HG2      GLU  59  66.471  13.271   9.962
  454   2HG   GLU  59           HG1      GLU  59  64.955  12.400  10.200
  455    H    MET  60           HN       MET  60  67.218   8.762   8.166
  456    HA   MET  60           HA       MET  60  70.004   8.921   7.579
  457   1HB   MET  60           HB2      MET  60  68.549   6.983   8.434
  458   2HB   MET  60           HB1      MET  60  68.107   6.714   6.748
  459   1HG   MET  60           HG2      MET  60  70.732   6.803   6.389
  460   2HG   MET  60           HG1      MET  60  70.757   6.347   8.092
  461   1HE   MET  60           HE1      MET  60  69.672   4.733   9.124
  462   2HE   MET  60           HE3      MET  60  68.190   4.067   8.425
  463   3HE   MET  60           HE2      MET  60  69.635   3.067   8.549
  464    H    ILE  61           HN       ILE  61  67.155   8.809   5.467
  465    HA   ILE  61           HA       ILE  61  68.564   8.407   2.988
  466    HB   ILE  61           HB       ILE  61  65.898   9.644   3.737
  467   1HG1  ILE  61          HG12      ILE  61  66.638   6.926   2.600
  468   2HG1  ILE  61          HG11      ILE  61  66.233   7.239   4.288
  469   1HG2  ILE  61          HG23      ILE  61  67.226   9.206   1.093
  470   2HG2  ILE  61          HG22      ILE  61  65.495   8.895   1.212
  471   3HG2  ILE  61          HG21      ILE  61  66.132  10.493   1.597
  472   1HD1  ILE  61          HD12      ILE  61  64.400   7.787   1.936
  473   2HD1  ILE  61          HD11      ILE  61  64.281   6.390   3.005
  474   3HD1  ILE  61          HD13      ILE  61  64.002   8.011   3.639
  475    H    ASP  62           HN       ASP  62  67.785  11.274   4.901
  476    HA   ASP  62           HA       ASP  62  68.237  13.296   2.956
  477   1HB   ASP  62           HB2      ASP  62  67.933  12.985   5.810
  478   2HB   ASP  62           HB1      ASP  62  69.205  14.162   5.477
  479    H    GLU  63           HN       GLU  63  70.530  11.559   5.067
  480    HA   GLU  63           HA       GLU  63  72.820  13.082   4.017
  481   1HB   GLU  63           HB2      GLU  63  73.190  12.546   6.224
  482   2HB   GLU  63           HB1      GLU  63  72.178  11.107   6.147
  483   1HG   GLU  63           HG2      GLU  63  74.514  10.464   6.491
  484   2HG   GLU  63           HG1      GLU  63  73.972   9.937   4.897
  485    H    VAL  64           HN       VAL  64  71.111  10.131   3.331
  486    HA   VAL  64           HA       VAL  64  73.331   8.880   1.857
  487    HB   VAL  64           HB       VAL  64  70.414   8.295   2.390
  488   1HG1  VAL  64          HG13      VAL  64  72.039   7.360   0.172
  489   2HG1  VAL  64          HG12      VAL  64  71.575   6.020   1.220
  490   3HG1  VAL  64          HG11      VAL  64  70.335   7.053   0.510
  491   1HG2  VAL  64          HG21      VAL  64  73.081   7.273   3.296
  492   2HG2  VAL  64          HG23      VAL  64  71.632   7.607   4.244
  493   3HG2  VAL  64          HG22      VAL  64  71.723   6.149   3.255
  494    H    ASP  65           HN       ASP  65  70.294  10.586   1.113
  495    HA   ASP  65           HA       ASP  65  70.929  10.461  -1.798
  496   1HB   ASP  65           HB2      ASP  65  68.538  10.831  -0.060
  497   2HB   ASP  65           HB1      ASP  65  68.515  11.655  -1.620
  498    H    GLU  66           HN       GLU  66  72.765  12.093  -0.794
  499    HA   GLU  66           HA       GLU  66  71.966  14.814  -0.272
  500   1HB   GLU  66           HB2      GLU  66  74.139  13.668   0.309
  501   2HB   GLU  66           HB1      GLU  66  74.571  13.741  -1.400
  502   1HG   GLU  66           HG2      GLU  66  73.669  16.335  -0.563
  503   2HG   GLU  66           HG1      GLU  66  74.906  15.771   0.560
  504    H    ASP  67           HN       ASP  67  72.832  13.042  -3.223
  505    HA   ASP  67           HA       ASP  67  72.206  15.502  -4.822
  506   1HB   ASP  67           HB2      ASP  67  73.578  14.220  -6.566
  507   2HB   ASP  67           HB1      ASP  67  74.469  14.770  -5.146
  508    H    GLY  68           HN       GLY  68  71.321  12.206  -4.155
  509   1HA   GLY  68           HA2      GLY  68  70.000  11.468  -6.540
  510   2HA   GLY  68           HA1      GLY  68  69.521  10.916  -4.934
  511    H    SER  69           HN       SER  69  69.199  13.906  -4.230
  512    HA   SER  69           HA       SER  69  67.475  15.530  -4.309
  513   1HB   SER  69           HB2      SER  69  67.893  14.740  -6.884
  514   2HB   SER  69           HB1      SER  69  66.205  14.278  -6.679
  515    HG   SER  69           HG       SER  69  67.131  16.661  -7.173
  516    H    GLY  70           HN       GLY  70  67.171  13.080  -2.804
  517   1HA   GLY  70           HA2      GLY  70  65.398  12.225  -1.483
  518   2HA   GLY  70           HA1      GLY  70  64.258  13.102  -2.504
  519    H    THR  71           HN       THR  71  66.726  10.857  -3.685
  520    HA   THR  71           HA       THR  71  64.679   8.761  -4.157
  521    HB   THR  71           HB       THR  71  65.114   8.826  -6.592
  522    HG1  THR  71           HG1      THR  71  67.258   9.926  -6.071
  523   1HG2  THR  71          HG23      THR  71  63.337  10.274  -5.433
  524   2HG2  THR  71          HG22      THR  71  64.446  11.624  -5.676
  525   3HG2  THR  71          HG21      THR  71  63.806  10.748  -7.067
  526    H    VAL  72           HN       VAL  72  65.643   6.767  -3.974
  527    HA   VAL  72           HA       VAL  72  68.636   6.665  -4.013
  528    HB   VAL  72           HB       VAL  72  68.051   4.450  -2.730
  529   1HG1  VAL  72          HG11      VAL  72  67.774   7.264  -1.686
  530   2HG1  VAL  72          HG13      VAL  72  67.734   5.864  -0.612
  531   3HG1  VAL  72          HG12      VAL  72  69.171   6.186  -1.583
  532   1HG2  VAL  72          HG23      VAL  72  65.544   4.876  -3.357
  533   2HG2  VAL  72          HG22      VAL  72  65.934   4.298  -1.737
  534   3HG2  VAL  72          HG21      VAL  72  65.580   6.005  -2.002
  535    H    ASP  73           HN       ASP  73  69.508   4.495  -4.693
  536    HA   ASP  73           HA       ASP  73  67.875   3.242  -6.872
  537   1HB   ASP  73           HB2      ASP  73  69.932   3.212  -8.216
  538   2HB   ASP  73           HB1      ASP  73  69.601   4.863  -7.692
  539    H    PHE  74           HN       PHE  74  69.475   1.148  -7.535
  540    HA   PHE  74           HA       PHE  74  69.284  -0.608  -5.254
  541   1HB   PHE  74           HB2      PHE  74  69.159  -1.101  -7.782
  542   2HB   PHE  74           HB1      PHE  74  70.922  -1.040  -7.764
  543    HD1  PHE  74           HD1      PHE  74  68.116  -2.570  -5.790
  544    HD2  PHE  74           HD2      PHE  74  72.063  -3.039  -7.415
  545    HE1  PHE  74           HE1      PHE  74  68.187  -4.900  -4.943
  546    HE2  PHE  74           HE2      PHE  74  72.135  -5.369  -6.568
  547    HZ   PHE  74           HZ       PHE  74  70.197  -6.300  -5.332
  548    H    ASP  75           HN       ASP  75  71.653   1.657  -6.214
  549    HA   ASP  75           HA       ASP  75  73.929   0.257  -4.962
  550   1HB   ASP  75           HB2      ASP  75  73.693   3.127  -5.913
  551   2HB   ASP  75           HB1      ASP  75  75.163   2.164  -5.765
  552    H    GLU  76           HN       GLU  76  71.828   3.063  -4.298
  553    HA   GLU  76           HA       GLU  76  73.133   3.703  -1.767
  554   1HB   GLU  76           HB2      GLU  76  70.493   4.496  -3.041
  555   2HB   GLU  76           HB1      GLU  76  71.178   5.261  -1.607
  556   1HG   GLU  76           HG2      GLU  76  73.218   5.177  -3.600
  557   2HG   GLU  76           HG1      GLU  76  71.757   5.818  -4.353
  558    H    PHE  77           HN       PHE  77  69.862   2.445  -2.576
  559    HA   PHE  77           HA       PHE  77  68.853   1.873  -0.073
  560   1HB   PHE  77           HB2      PHE  77  67.719   1.447  -2.210
  561   2HB   PHE  77           HB1      PHE  77  68.836   0.126  -2.556
  562    HD1  PHE  77           HD2      PHE  77  66.470   1.276   0.121
  563    HD2  PHE  77           HD1      PHE  77  68.229  -2.046  -1.957
  564    HE1  PHE  77           HE2      PHE  77  65.020  -0.286   1.391
  565    HE2  PHE  77           HE1      PHE  77  66.780  -3.608  -0.687
  566    HZ   PHE  77           HZ       PHE  77  65.175  -2.728   0.986
  567    H    LEU  78           HN       LEU  78  70.714  -0.561  -1.945
  568    HA   LEU  78           HA       LEU  78  71.053  -2.527  -0.026
  569   1HB   LEU  78           HB2      LEU  78  72.450  -1.518  -2.390
  570   2HB   LEU  78           HB1      LEU  78  73.541  -2.323  -1.263
  571    HG   LEU  78           HG       LEU  78  71.573  -4.115  -1.192
  572   1HD1  LEU  78          HD12      LEU  78  70.328  -2.503  -2.857
  573   2HD1  LEU  78          HD11      LEU  78  71.368  -3.259  -4.064
  574   3HD1  LEU  78          HD13      LEU  78  70.257  -4.246  -3.115
  575   1HD2  LEU  78          HD21      LEU  78  73.620  -3.823  -3.413
  576   2HD2  LEU  78          HD23      LEU  78  73.862  -4.622  -1.860
  577   3HD2  LEU  78          HD22      LEU  78  72.759  -5.317  -3.047
  578    H    VAL  79           HN       VAL  79  73.221   0.303  -0.445
  579    HA   VAL  79           HA       VAL  79  74.944  -0.231   1.749
  580    HB   VAL  79           HB       VAL  79  74.007   2.427   0.620
  581   1HG1  VAL  79          HG12      VAL  79  76.070   1.611   2.548
  582   2HG1  VAL  79          HG11      VAL  79  76.689   2.611   1.235
  583   3HG1  VAL  79          HG13      VAL  79  75.378   3.205   2.251
  584   1HG2  VAL  79          HG21      VAL  79  75.089   0.361  -0.809
  585   2HG2  VAL  79          HG23      VAL  79  75.306   2.062  -1.218
  586   3HG2  VAL  79          HG22      VAL  79  76.543   1.212  -0.292
  587    H    MET  80           HN       MET  80  71.777   1.347   1.615
  588    HA   MET  80           HA       MET  80  71.845   2.333   4.350
  589   1HB   MET  80           HB2      MET  80  69.766   1.923   2.198
  590   2HB   MET  80           HB1      MET  80  69.314   2.506   3.801
  591   1HG   MET  80           HG2      MET  80  71.533   4.056   3.114
  592   2HG   MET  80           HG1      MET  80  70.608   3.938   1.618
  593   1HE   MET  80           HE3      MET  80  68.194   3.670   1.774
  594   2HE   MET  80           HE2      MET  80  67.082   4.573   2.800
  595   3HE   MET  80           HE1      MET  80  67.899   5.388   1.470
  596    H    MET  81           HN       MET  81  70.914  -0.678   2.800
  597    HA   MET  81           HA       MET  81  69.369  -1.698   5.055
  598   1HB   MET  81           HB2      MET  81  70.060  -2.390   2.342
  599   2HB   MET  81           HB1      MET  81  70.340  -3.782   3.388
  600   1HG   MET  81           HG2      MET  81  67.775  -2.174   3.206
  601   2HG   MET  81           HG1      MET  81  68.026  -3.807   2.587
  602   1HE   MET  81           HE2      MET  81  66.312  -4.705   3.421
  603   2HE   MET  81           HE1      MET  81  67.080  -5.962   4.386
  604   3HE   MET  81           HE3      MET  81  65.800  -4.964   5.086
  605    H    VAL  82           HN       VAL  82  72.590  -2.522   3.697
  606    HA   VAL  82           HA       VAL  82  73.417  -4.369   5.655
  607    HB   VAL  82           HB       VAL  82  75.714  -3.584   4.952
  608   1HG1  VAL  82          HG11      VAL  82  73.508  -4.245   3.032
  609   2HG1  VAL  82          HG13      VAL  82  75.106  -3.866   2.391
  610   3HG1  VAL  82          HG12      VAL  82  74.902  -5.215   3.508
  611   1HG2  VAL  82          HG23      VAL  82  74.214  -1.220   4.356
  612   2HG2  VAL  82          HG22      VAL  82  75.952  -1.475   4.195
  613   3HG2  VAL  82          HG21      VAL  82  74.878  -1.839   2.844
  614    H    ARG  83           HN       ARG  83  73.054  -0.905   5.892
  615    HA   ARG  83           HA       ARG  83  74.801  -0.500   8.173
  616   1HB   ARG  83           HB2      ARG  83  73.951   1.195   6.480
  617   2HB   ARG  83           HB1      ARG  83  72.387   1.106   7.289
  618   1HG   ARG  83           HG2      ARG  83  73.145   2.185   9.178
  619   2HG   ARG  83           HG1      ARG  83  74.788   1.567   8.999
  620   1HD   ARG  83           HD2      ARG  83  75.437   3.327   7.684
  621   2HD   ARG  83           HD1      ARG  83  73.876   3.396   6.842
  622    HE   ARG  83           HE       ARG  83  73.176   4.192   9.357
  623   1HH1  ARG  83          HH21      ARG  83  75.974   5.026   9.900
  624   2HH1  ARG  83          HH22      ARG  83  75.997   6.663   9.334
  625   1HH2  ARG  83          HH11      ARG  83  73.091   6.339   7.469
  626   2HH2  ARG  83          HH12      ARG  83  74.365   7.406   7.958
  627    H    CYS  84           HN       CYS  84  71.220  -0.575   7.906
  628    HA   CYS  84           HA       CYS  84  70.719  -0.598  10.722
  629   1HB   CYS  84           HB2      CYS  84  69.224  -1.409   8.231
  630   2HB   CYS  84           HB1      CYS  84  68.494  -1.617   9.824
  631    HG   CYS  84           HG       CYS  84  69.221   1.130   8.544
  632    H    MET  85           HN       MET  85  69.748  -3.356   8.723
  633    HA   MET  85           HA       MET  85  69.814  -5.671   9.222
  634   1HB   MET  85           HB2      MET  85  72.505  -4.454   9.570
  635   2HB   MET  85           HB1      MET  85  72.310  -6.093  10.193
  636   1HG   MET  85           HG2      MET  85  71.594  -5.207   7.382
  637   2HG   MET  85           HG1      MET  85  73.055  -6.090   7.824
  638   1HE   MET  85           HE2      MET  85  72.636  -7.789   6.155
  639   2HE   MET  85           HE1      MET  85  71.295  -8.929   6.077
  640   3HE   MET  85           HE3      MET  85  71.059  -7.245   5.591
  641    H    LYS  86           HN       LYS  86  68.281  -5.736  10.969
  642    HA   LYS  86           HA       LYS  86  69.465  -6.391  13.584
  643   1HB   LYS  86           HB2      LYS  86  68.632  -3.758  12.952
  644   2HB   LYS  86           HB1      LYS  86  67.393  -4.424  14.017
  645   1HG   LYS  86           HG2      LYS  86  70.336  -4.681  14.645
  646   2HG   LYS  86           HG1      LYS  86  69.394  -3.278  15.154
  647   1HD   LYS  86           HD2      LYS  86  68.139  -5.889  15.733
  648   2HD   LYS  86           HD1      LYS  86  69.629  -5.569  16.623
  649   1HE   LYS  86           HE2      LYS  86  68.613  -3.266  17.181
  650   2HE   LYS  86           HE1      LYS  86  67.072  -3.951  16.625
  651   1HZ   LYS  86           HZ3      LYS  86  68.847  -5.289  18.593
  652   2HZ   LYS  86           HZ2      LYS  86  67.539  -4.300  19.040
  653   3HZ   LYS  86           HZ1      LYS  86  67.265  -5.731  18.166
  654    H    ASP  87           HN       ASP  87  68.203  -7.969  14.518
  655    HA   ASP  87           HA       ASP  87  65.756  -8.844  13.184
  656   1HB   ASP  87           HB2      ASP  87  67.724  -9.790  15.093
  657   2HB   ASP  87           HB1      ASP  87  66.093 -10.156  15.656
  658    H    ASP  88           HN       ASP  88  63.707  -9.167  14.448
  659    HA   ASP  88           HA       ASP  88  61.922  -8.239  15.691
  660   1HB   ASP  88           HB2      ASP  88  64.027  -8.912  17.320
  661   2HB   ASP  88           HB1      ASP  88  63.772  -7.222  17.758
  662    H    SER  89           HN       SER  89  61.277  -6.446  14.433
  663    HA   SER  89           HA       SER  89  61.045  -4.165  13.851
  664   1HB   SER  89           HB2      SER  89  61.449  -4.493  16.698
  665   2HB   SER  89           HB1      SER  89  62.109  -2.947  16.170
  666    HG   SER  89           HG       SER  89  60.156  -2.272  15.733
   
  No H/Q in entry =         666
  Start of MODEL   28
    1   1H    MET   1           HT1      MET   1  86.882   8.036   4.708
    2   2H    MET   1           HT3      MET   1  87.940   9.360   4.760
    3   3H    MET   1           HT2      MET   1  88.254   8.065   3.706
    4    HA   MET   1           HA       MET   1  89.722   7.677   5.466
    5   1HB   MET   1           HB2      MET   1  87.925   9.397   6.710
    6   2HB   MET   1           HB1      MET   1  87.764   7.903   7.634
    7   1HG   MET   1           HG2      MET   1  90.064   7.870   8.198
    8   2HG   MET   1           HG1      MET   1  90.471   9.046   6.949
    9   1HE   MET   1           HE3      MET   1  91.010  10.923   7.202
   10   2HE   MET   1           HE2      MET   1  89.644  12.012   7.429
   11   3HE   MET   1           HE1      MET   1  90.950  11.989   8.612
   12    H    ASP   2           HN       ASP   2  86.519   6.792   6.775
   13    HA   ASP   2           HA       ASP   2  87.317   3.918   6.546
   14   1HB   ASP   2           HB2      ASP   2  85.086   5.159   8.175
   15   2HB   ASP   2           HB1      ASP   2  85.855   3.591   8.418
   16    H    ASP   3           HN       ASP   3  86.411   2.920   4.786
   17    HA   ASP   3           HA       ASP   3  83.595   3.658   4.054
   18   1HB   ASP   3           HB2      ASP   3  85.901   2.916   2.223
   19   2HB   ASP   3           HB1      ASP   3  84.285   3.406   1.714
   20    H    ILE   4           HN       ILE   4  82.425   1.873   4.695
   21    HA   ILE   4           HA       ILE   4  83.533  -0.836   4.024
   22    HB   ILE   4           HB       ILE   4  82.435  -1.617   6.001
   23   1HG1  ILE   4          HG12      ILE   4  81.041   1.081   6.063
   24   2HG1  ILE   4          HG11      ILE   4  80.288  -0.462   5.656
   25   1HG2  ILE   4          HG21      ILE   4  84.374   0.312   6.108
   26   2HG2  ILE   4          HG23      ILE   4  83.128   1.018   7.137
   27   3HG2  ILE   4          HG22      ILE   4  83.783  -0.577   7.512
   28   1HD1  ILE   4          HD12      ILE   4  81.699  -0.648   8.183
   29   2HD1  ILE   4          HD11      ILE   4  80.525   0.667   8.219
   30   3HD1  ILE   4          HD13      ILE   4  80.003  -0.972   7.831
   31    H    TYR   5           HN       TYR   5  80.958   1.420   3.562
   32    HA   TYR   5           HA       TYR   5  78.692  -0.082   2.996
   33   1HB   TYR   5           HB2      TYR   5  79.822   2.123   1.247
   34   2HB   TYR   5           HB1      TYR   5  78.121   1.729   1.488
   35    HD1  TYR   5           HD2      TYR   5  78.860   1.100   4.594
   36    HD2  TYR   5           HD1      TYR   5  79.223   4.475   1.961
   37    HE1  TYR   5           HE2      TYR   5  78.784   2.629   6.543
   38    HE2  TYR   5           HE1      TYR   5  79.147   6.003   3.912
   39    HH   TYR   5           HH       TYR   5  77.998   5.471   6.620
   40    H    LYS   6           HN       LYS   6  81.132   0.755   0.498
   41    HA   LYS   6           HA       LYS   6  80.250  -0.852  -1.593
   42   1HB   LYS   6           HB2      LYS   6  82.577  -0.782  -2.330
   43   2HB   LYS   6           HB1      LYS   6  82.187   0.747  -1.542
   44   1HG   LYS   6           HG2      LYS   6  83.070  -0.431   0.620
   45   2HG   LYS   6           HG1      LYS   6  83.855  -1.535  -0.511
   46   1HD   LYS   6           HD2      LYS   6  84.156   1.344  -1.140
   47   2HD   LYS   6           HD1      LYS   6  84.975   0.800   0.325
   48   1HE   LYS   6           HE2      LYS   6  86.267  -0.816  -0.871
   49   2HE   LYS   6           HE1      LYS   6  85.246  -0.666  -2.316
   50   1HZ   LYS   6           HZ1      LYS   6  85.903   1.858  -1.992
   51   2HZ   LYS   6           HZ3      LYS   6  87.277   1.165  -1.282
   52   3HZ   LYS   6           HZ2      LYS   6  86.873   0.792  -2.890
   53    H    ALA   7           HN       ALA   7  82.028  -1.851   1.307
   54    HA   ALA   7           HA       ALA   7  82.478  -4.584   0.400
   55   1HB   ALA   7           HB3      ALA   7  83.899  -3.400   2.037
   56   2HB   ALA   7           HB2      ALA   7  82.529  -3.277   3.141
   57   3HB   ALA   7           HB1      ALA   7  83.211  -4.856   2.756
   58    H    ALA   8           HN       ALA   8  79.799  -2.879   1.734
   59    HA   ALA   8           HA       ALA   8  78.496  -4.942   3.222
   60   1HB   ALA   8           HB2      ALA   8  78.083  -2.330   2.731
   61   2HB   ALA   8           HB1      ALA   8  76.928  -3.003   1.581
   62   3HB   ALA   8           HB3      ALA   8  76.789  -3.386   3.296
   63    H    VAL   9           HN       VAL   9  78.420  -4.114  -0.243
   64    HA   VAL   9           HA       VAL   9  76.464  -6.199  -0.879
   65    HB   VAL   9           HB       VAL   9  78.318  -4.662  -2.719
   66   1HG1  VAL   9          HG12      VAL   9  76.770  -6.599  -3.499
   67   2HG1  VAL   9          HG11      VAL   9  75.453  -5.463  -3.206
   68   3HG1  VAL   9          HG13      VAL   9  76.704  -5.076  -4.387
   69   1HG2  VAL   9          HG23      VAL   9  76.151  -3.721  -0.970
   70   2HG2  VAL   9          HG22      VAL   9  77.383  -2.796  -1.826
   71   3HG2  VAL   9          HG21      VAL   9  75.914  -3.295  -2.665
   72    H    GLU  10           HN       GLU  10  79.985  -5.760  -1.242
   73    HA   GLU  10           HA       GLU  10  80.694  -7.999  -2.744
   74   1HB   GLU  10           HB2      GLU  10  81.873  -6.151  -0.890
   75   2HB   GLU  10           HB1      GLU  10  82.497  -7.765  -0.546
   76   1HG   GLU  10           HG2      GLU  10  82.568  -6.293  -3.191
   77   2HG   GLU  10           HG1      GLU  10  83.943  -6.798  -2.208
   78    H    GLN  11           HN       GLN  11  79.540  -7.890   0.580
   79    HA   GLN  11           HA       GLN  11  80.267 -10.671   1.168
   80   1HB   GLN  11           HB2      GLN  11  79.393  -8.296   2.520
   81   2HB   GLN  11           HB1      GLN  11  78.298  -9.613   2.942
   82   1HG   GLN  11           HG2      GLN  11  80.040 -10.944   3.814
   83   2HG   GLN  11           HG1      GLN  11  81.287 -10.005   2.992
   84   1HE2  GLN  11          HE22      GLN  11  81.033  -8.995   6.643
   85   2HE2  GLN  11          HE21      GLN  11  81.190 -10.507   5.890
   86    H    LEU  12           HN       LEU  12  77.312  -8.881   0.298
   87    HA   LEU  12           HA       LEU  12  75.471 -11.057   0.612
   88   1HB   LEU  12           HB2      LEU  12  75.433  -8.649  -1.238
   89   2HB   LEU  12           HB1      LEU  12  74.025  -9.600  -0.763
   90    HG   LEU  12           HG       LEU  12  75.814  -8.305   1.295
   91   1HD1  LEU  12          HD13      LEU  12  74.663  -6.752  -0.539
   92   2HD1  LEU  12          HD12      LEU  12  73.238  -7.034   0.462
   93   3HD1  LEU  12          HD11      LEU  12  74.677  -6.295   1.165
   94   1HD2  LEU  12          HD22      LEU  12  72.937  -9.273   1.261
   95   2HD2  LEU  12          HD21      LEU  12  74.290 -10.031   2.104
   96   3HD2  LEU  12          HD23      LEU  12  73.697  -8.454   2.626
   97    H    THR  13           HN       THR  13  74.775 -12.620  -0.884
   98    HA   THR  13           HA       THR  13  76.604 -13.154  -3.149
   99    HB   THR  13           HB       THR  13  74.779 -15.169  -3.120
  100    HG1  THR  13           HG1      THR  13  74.522 -15.410  -0.709
  101   1HG2  THR  13          HG21      THR  13  77.368 -14.627  -1.852
  102   2HG2  THR  13          HG23      THR  13  76.444 -15.892  -1.041
  103   3HG2  THR  13          HG22      THR  13  76.832 -16.046  -2.754
  104    H    GLU  14           HN       GLU  14  75.242 -14.188  -5.124
  105    HA   GLU  14           HA       GLU  14  73.743 -11.999  -6.296
  106   1HB   GLU  14           HB2      GLU  14  75.254 -13.715  -7.422
  107   2HB   GLU  14           HB1      GLU  14  73.948 -14.883  -7.208
  108   1HG   GLU  14           HG2      GLU  14  72.428 -13.449  -8.501
  109   2HG   GLU  14           HG1      GLU  14  73.706 -12.248  -8.689
  110    H    GLU  15           HN       GLU  15  72.883 -15.113  -4.827
  111    HA   GLU  15           HA       GLU  15  70.195 -15.370  -5.580
  112   1HB   GLU  15           HB2      GLU  15  71.833 -16.761  -4.056
  113   2HB   GLU  15           HB1      GLU  15  71.091 -15.839  -2.748
  114   1HG   GLU  15           HG2      GLU  15  68.927 -16.686  -3.230
  115   2HG   GLU  15           HG1      GLU  15  69.427 -17.282  -4.813
  116    H    GLN  16           HN       GLN  16  71.464 -13.582  -2.737
  117    HA   GLN  16           HA       GLN  16  68.874 -12.513  -1.999
  118   1HB   GLN  16           HB2      GLN  16  70.147 -11.353  -0.338
  119   2HB   GLN  16           HB1      GLN  16  70.990 -12.883  -0.590
  120   1HG   GLN  16           HG2      GLN  16  72.798 -11.481  -0.794
  121   2HG   GLN  16           HG1      GLN  16  72.232 -11.407  -2.463
  122   1HE2  GLN  16          HE22      GLN  16  72.050  -7.902  -2.126
  123   2HE2  GLN  16          HE21      GLN  16  72.688  -9.223  -2.979
  124    H    LYS  17           HN       LYS  17  71.192 -11.665  -4.401
  125    HA   LYS  17           HA       LYS  17  70.626  -8.817  -4.543
  126   1HB   LYS  17           HB2      LYS  17  72.409 -10.709  -5.637
  127   2HB   LYS  17           HB1      LYS  17  71.523 -10.049  -7.013
  128   1HG   LYS  17           HG2      LYS  17  72.379  -7.940  -6.731
  129   2HG   LYS  17           HG1      LYS  17  72.451  -8.092  -4.975
  130   1HD   LYS  17           HD2      LYS  17  74.654  -8.515  -5.154
  131   2HD   LYS  17           HD1      LYS  17  74.255 -10.011  -5.998
  132   1HE   LYS  17           HE2      LYS  17  74.040  -7.636  -7.719
  133   2HE   LYS  17           HE1      LYS  17  75.682  -7.924  -7.111
  134   1HZ   LYS  17           HZ3      LYS  17  74.088 -10.215  -8.017
  135   2HZ   LYS  17           HZ2      LYS  17  74.802  -9.218  -9.193
  136   3HZ   LYS  17           HZ1      LYS  17  75.770 -10.000  -8.037
  137    H    ASN  18           HN       ASN  18  69.646 -11.611  -6.569
  138    HA   ASN  18           HA       ASN  18  67.911 -10.248  -8.327
  139   1HB   ASN  18           HB2      ASN  18  67.963 -12.388  -9.064
  140   2HB   ASN  18           HB1      ASN  18  68.601 -12.932  -7.517
  141   1HD2  ASN  18          HD22      ASN  18  65.611 -14.636  -6.821
  142   2HD2  ASN  18          HD21      ASN  18  67.306 -14.592  -6.736
  143    H    GLU  19           HN       GLU  19  67.156 -11.766  -5.173
  144    HA   GLU  19           HA       GLU  19  64.388 -11.239  -5.063
  145   1HB   GLU  19           HB2      GLU  19  65.723 -12.602  -3.476
  146   2HB   GLU  19           HB1      GLU  19  66.474 -11.130  -2.857
  147   1HG   GLU  19           HG2      GLU  19  64.362 -10.310  -2.033
  148   2HG   GLU  19           HG1      GLU  19  63.483 -11.609  -2.840
  149    H    PHE  20           HN       PHE  20  66.993  -9.205  -3.655
  150    HA   PHE  20           HA       PHE  20  65.365  -6.998  -2.935
  151   1HB   PHE  20           HB2      PHE  20  68.180  -7.692  -3.267
  152   2HB   PHE  20           HB1      PHE  20  67.878  -6.001  -3.663
  153    HD1  PHE  20           HD2      PHE  20  65.538  -5.483  -1.845
  154    HD2  PHE  20           HD1      PHE  20  69.260  -7.512  -1.154
  155    HE1  PHE  20           HE2      PHE  20  65.384  -4.942   0.571
  156    HE2  PHE  20           HE1      PHE  20  69.107  -6.971   1.261
  157    HZ   PHE  20           HZ       PHE  20  67.169  -5.687   2.123
  158    H    LYS  21           HN       LYS  21  66.987  -7.768  -6.003
  159    HA   LYS  21           HA       LYS  21  66.649  -5.335  -7.385
  160   1HB   LYS  21           HB2      LYS  21  67.924  -7.298  -8.162
  161   2HB   LYS  21           HB1      LYS  21  66.421  -8.200  -8.365
  162   1HG   LYS  21           HG2      LYS  21  65.843  -7.075 -10.276
  163   2HG   LYS  21           HG1      LYS  21  66.570  -5.562  -9.729
  164   1HD   LYS  21           HD2      LYS  21  68.699  -6.164 -10.449
  165   2HD   LYS  21           HD1      LYS  21  68.356  -7.891 -10.347
  166   1HE   LYS  21           HE2      LYS  21  68.389  -7.402 -12.691
  167   2HE   LYS  21           HE1      LYS  21  66.667  -7.478 -12.272
  168   1HZ   LYS  21           HZ2      LYS  21  66.760  -5.062 -11.838
  169   2HZ   LYS  21           HZ1      LYS  21  68.351  -5.036 -12.434
  170   3HZ   LYS  21           HZ3      LYS  21  67.068  -5.451 -13.464
  171    H    ALA  22           HN       ALA  22  64.445  -8.165  -7.581
  172    HA   ALA  22           HA       ALA  22  62.369  -6.925  -9.030
  173   1HB   ALA  22           HB3      ALA  22  62.499  -9.127  -6.966
  174   2HB   ALA  22           HB2      ALA  22  60.982  -8.710  -7.765
  175   3HB   ALA  22           HB1      ALA  22  62.354  -9.276  -8.717
  176    H    ALA  23           HN       ALA  23  62.253  -7.521  -5.494
  177    HA   ALA  23           HA       ALA  23  60.056  -5.947  -4.838
  178   1HB   ALA  23           HB3      ALA  23  61.641  -7.436  -3.428
  179   2HB   ALA  23           HB2      ALA  23  62.592  -5.969  -3.201
  180   3HB   ALA  23           HB1      ALA  23  60.925  -6.034  -2.633
  181    H    PHE  24           HN       PHE  24  63.223  -4.851  -5.844
  182    HA   PHE  24           HA       PHE  24  62.912  -2.125  -4.839
  183   1HB   PHE  24           HB2      PHE  24  65.055  -3.425  -5.227
  184   2HB   PHE  24           HB1      PHE  24  64.777  -3.233  -6.957
  185    HD1  PHE  24           HD1      PHE  24  65.594  -1.507  -3.815
  186    HD2  PHE  24           HD2      PHE  24  64.947  -1.054  -8.033
  187    HE1  PHE  24           HE1      PHE  24  66.593   0.764  -3.722
  188    HE2  PHE  24           HE2      PHE  24  65.946   1.216  -7.945
  189    HZ   PHE  24           HZ       PHE  24  66.769   2.125  -5.788
  190    H    ASP  25           HN       ASP  25  63.410  -3.190  -8.219
  191    HA   ASP  25           HA       ASP  25  62.497  -0.965  -9.573
  192   1HB   ASP  25           HB2      ASP  25  63.429  -3.077 -10.523
  193   2HB   ASP  25           HB1      ASP  25  61.875  -3.862 -10.235
  194    H    ILE  26           HN       ILE  26  60.526  -3.306  -7.829
  195    HA   ILE  26           HA       ILE  26  57.978  -2.641  -8.971
  196    HB   ILE  26           HB       ILE  26  58.926  -3.786  -6.341
  197   1HG1  ILE  26          HG12      ILE  26  57.764  -4.893  -8.909
  198   2HG1  ILE  26          HG11      ILE  26  59.338  -5.244  -8.194
  199   1HG2  ILE  26          HG22      ILE  26  56.703  -2.645  -6.090
  200   2HG2  ILE  26          HG21      ILE  26  56.077  -3.676  -7.376
  201   3HG2  ILE  26          HG23      ILE  26  56.621  -4.391  -5.859
  202   1HD1  ILE  26          HD12      ILE  26  57.428  -5.853  -6.209
  203   2HD1  ILE  26          HD11      ILE  26  56.806  -6.537  -7.711
  204   3HD1  ILE  26          HD13      ILE  26  58.409  -6.992  -7.133
  205    H    PHE  27           HN       PHE  27  60.058  -0.827  -6.935
  206    HA   PHE  27           HA       PHE  27  57.766   0.955  -6.176
  207   1HB   PHE  27           HB2      PHE  27  60.217   0.018  -4.688
  208   2HB   PHE  27           HB1      PHE  27  59.364   1.483  -4.199
  209    HD1  PHE  27           HD1      PHE  27  58.656  -2.087  -5.125
  210    HD2  PHE  27           HD2      PHE  27  57.591   1.291  -2.694
  211    HE1  PHE  27           HE1      PHE  27  56.957  -3.464  -3.955
  212    HE2  PHE  27           HE2      PHE  27  55.892  -0.086  -1.524
  213    HZ   PHE  27           HZ       PHE  27  55.576  -2.463  -2.154
  214    H    VAL  28           HN       VAL  28  59.391   1.166  -8.601
  215    HA   VAL  28           HA       VAL  28  61.189   3.477  -8.056
  216    HB   VAL  28           HB       VAL  28  60.598   1.730 -10.463
  217   1HG1  VAL  28          HG13      VAL  28  62.231   4.233 -10.169
  218   2HG1  VAL  28          HG12      VAL  28  62.747   2.979 -11.293
  219   3HG1  VAL  28          HG11      VAL  28  61.175   3.744 -11.493
  220   1HG2  VAL  28          HG22      VAL  28  61.965   0.833  -8.508
  221   2HG2  VAL  28          HG21      VAL  28  62.787   0.824 -10.068
  222   3HG2  VAL  28          HG23      VAL  28  63.158   2.076  -8.883
  223    H    LEU  29           HN       LEU  29  58.176   3.568  -7.904
  224    HA   LEU  29           HA       LEU  29  56.733   4.677  -9.934
  225   1HB   LEU  29           HB2      LEU  29  56.270   4.443  -7.405
  226   2HB   LEU  29           HB1      LEU  29  56.970   6.055  -7.255
  227    HG   LEU  29           HG       LEU  29  54.685   5.386  -9.128
  228   1HD1  LEU  29          HD13      LEU  29  54.729   6.410  -6.288
  229   2HD1  LEU  29          HD12      LEU  29  53.384   6.764  -7.372
  230   3HD1  LEU  29          HD11      LEU  29  53.770   5.093  -6.961
  231   1HD2  LEU  29          HD22      LEU  29  56.214   7.850  -8.369
  232   2HD2  LEU  29          HD21      LEU  29  55.610   7.352  -9.949
  233   3HD2  LEU  29          HD23      LEU  29  54.499   8.010  -8.749
  234    H    GLY  30           HN       GLY  30  57.915   5.830 -11.525
  235   1HA   GLY  30           HA2      GLY  30  58.586   7.890 -12.486
  236   2HA   GLY  30           HA1      GLY  30  58.467   8.635 -10.891
  237    H    ALA  31           HN       ALA  31  60.390   9.205 -10.009
  238    HA   ALA  31           HA       ALA  31  62.704   9.192  -9.526
  239   1HB   ALA  31           HB3      ALA  31  61.745   6.510  -9.699
  240   2HB   ALA  31           HB2      ALA  31  63.336   6.552 -10.459
  241   3HB   ALA  31           HB1      ALA  31  63.139   7.100  -8.795
  242    H    GLU  32           HN       GLU  32  64.731   9.431 -10.659
  243    HA   GLU  32           HA       GLU  32  64.678  10.348 -13.301
  244   1HB   GLU  32           HB2      GLU  32  66.492  10.176 -11.306
  245   2HB   GLU  32           HB1      GLU  32  67.113   8.910 -12.367
  246   1HG   GLU  32           HG2      GLU  32  67.493  10.403 -14.138
  247   2HG   GLU  32           HG1      GLU  32  66.381  11.607 -13.486
  248    H    ASP  33           HN       ASP  33  64.659   7.059 -12.159
  249    HA   ASP  33           HA       ASP  33  64.033   5.937 -14.704
  250   1HB   ASP  33           HB2      ASP  33  66.390   4.756 -14.878
  251   2HB   ASP  33           HB1      ASP  33  66.181   6.387 -15.510
  252    H    GLY  34           HN       GLY  34  66.488   4.233 -12.906
  253   1HA   GLY  34           HA2      GLY  34  64.383   2.400 -11.875
  254   2HA   GLY  34           HA1      GLY  34  66.089   1.992 -12.065
  255    H    CYS  35           HN       CYS  35  64.266   4.569 -10.363
  256    HA   CYS  35           HA       CYS  35  65.813   3.866  -7.890
  257   1HB   CYS  35           HB2      CYS  35  65.063   6.654  -8.809
  258   2HB   CYS  35           HB1      CYS  35  66.193   6.213  -7.529
  259    HG   CYS  35           HG       CYS  35  67.279   6.775 -10.038
  260    H    ILE  36           HN       ILE  36  64.633   4.185  -5.916
  261    HA   ILE  36           HA       ILE  36  61.677   4.456  -6.306
  262    HB   ILE  36           HB       ILE  36  61.547   3.166  -4.237
  263   1HG1  ILE  36          HG12      ILE  36  64.573   3.181  -4.178
  264   2HG1  ILE  36          HG11      ILE  36  63.603   4.326  -3.251
  265   1HG2  ILE  36          HG23      ILE  36  62.153   2.083  -6.511
  266   2HG2  ILE  36          HG22      ILE  36  63.771   1.902  -5.835
  267   3HG2  ILE  36          HG21      ILE  36  62.397   1.120  -5.054
  268   1HD1  ILE  36          HD12      ILE  36  62.348   2.140  -2.456
  269   2HD1  ILE  36          HD11      ILE  36  63.859   1.358  -2.920
  270   3HD1  ILE  36          HD13      ILE  36  63.862   2.623  -1.691
  271    H    SER  37           HN       SER  37  60.503   5.625  -4.561
  272    HA   SER  37           HA       SER  37  61.896   8.120  -3.837
  273   1HB   SER  37           HB2      SER  37  59.774   8.769  -4.298
  274   2HB   SER  37           HB1      SER  37  59.197   7.107  -4.240
  275    HG   SER  37           HG       SER  37  59.602   8.895  -2.070
  276    H    THR  38           HN       THR  38  62.786   8.477  -1.838
  277    HA   THR  38           HA       THR  38  63.269   6.631   0.152
  278    HB   THR  38           HB       THR  38  63.329   8.687   1.663
  279    HG1  THR  38           HG1      THR  38  62.178  10.296   1.018
  280   1HG2  THR  38          HG22      THR  38  64.752   8.224  -0.867
  281   2HG2  THR  38          HG21      THR  38  64.844   9.889  -0.292
  282   3HG2  THR  38          HG23      THR  38  65.395   8.567   0.739
  283    H    LYS  39           HN       LYS  39  60.267   8.420  -0.369
  284    HA   LYS  39           HA       LYS  39  58.997   7.782   2.132
  285   1HB   LYS  39           HB2      LYS  39  58.460   9.480   0.205
  286   2HB   LYS  39           HB1      LYS  39  57.563   8.132  -0.494
  287   1HG   LYS  39           HG2      LYS  39  56.471   7.914   1.847
  288   2HG   LYS  39           HG1      LYS  39  57.088   9.542   2.127
  289   1HD   LYS  39           HD2      LYS  39  55.688   9.128  -0.454
  290   2HD   LYS  39           HD1      LYS  39  54.675   9.043   0.989
  291   1HE   LYS  39           HE2      LYS  39  56.640  11.299   0.793
  292   2HE   LYS  39           HE1      LYS  39  55.152  11.389  -0.171
  293   1HZ   LYS  39           HZ2      LYS  39  54.990  10.504   2.625
  294   2HZ   LYS  39           HZ1      LYS  39  55.144  12.166   2.308
  295   3HZ   LYS  39           HZ3      LYS  39  53.826  11.303   1.679
  296    H    GLU  40           HN       GLU  40  59.371   6.036  -0.907
  297    HA   GLU  40           HA       GLU  40  57.428   3.950  -0.132
  298   1HB   GLU  40           HB2      GLU  40  59.295   4.408  -2.476
  299   2HB   GLU  40           HB1      GLU  40  58.219   3.015  -2.356
  300   1HG   GLU  40           HG2      GLU  40  57.116   5.790  -2.012
  301   2HG   GLU  40           HG1      GLU  40  57.397   5.149  -3.632
  302    H    LEU  41           HN       LEU  41  60.935   4.415  -0.328
  303    HA   LEU  41           HA       LEU  41  61.992   1.871  -0.143
  304   1HB   LEU  41           HB2      LEU  41  63.328   3.897  -0.100
  305   2HB   LEU  41           HB1      LEU  41  62.634   4.372   1.450
  306    HG   LEU  41           HG       LEU  41  63.676   1.739   1.754
  307   1HD1  LEU  41          HD11      LEU  41  65.608   3.705   0.487
  308   2HD1  LEU  41          HD13      LEU  41  66.073   2.186   1.253
  309   3HD1  LEU  41          HD12      LEU  41  65.082   2.172  -0.206
  310   1HD2  LEU  41          HD21      LEU  41  64.270   4.500   2.786
  311   2HD2  LEU  41          HD23      LEU  41  63.632   3.102   3.653
  312   3HD2  LEU  41          HD22      LEU  41  65.340   3.165   3.217
  313    H    GLY  42           HN       GLY  42  60.066   3.532   2.287
  314   1HA   GLY  42           HA2      GLY  42  60.700   1.835   4.513
  315   2HA   GLY  42           HA1      GLY  42  59.235   2.806   4.361
  316    H    LYS  43           HN       LYS  43  57.718   1.848   2.519
  317    HA   LYS  43           HA       LYS  43  56.670  -0.618   3.398
  318   1HB   LYS  43           HB2      LYS  43  56.377   1.270   1.186
  319   2HB   LYS  43           HB1      LYS  43  56.029  -0.386   0.688
  320   1HG   LYS  43           HG2      LYS  43  54.019  -0.241   1.688
  321   2HG   LYS  43           HG1      LYS  43  54.830  -0.018   3.238
  322   1HD   LYS  43           HD2      LYS  43  54.792   2.385   1.529
  323   2HD   LYS  43           HD1      LYS  43  53.201   1.849   2.069
  324   1HE   LYS  43           HE2      LYS  43  55.146   1.722   4.239
  325   2HE   LYS  43           HE1      LYS  43  55.006   3.362   3.575
  326   1HZ   LYS  43           HZ1      LYS  43  52.675   1.642   4.223
  327   2HZ   LYS  43           HZ3      LYS  43  53.294   2.811   5.284
  328   3HZ   LYS  43           HZ2      LYS  43  52.651   3.284   3.784
  329    H    VAL  44           HN       VAL  44  59.261   0.051   1.113
  330    HA   VAL  44           HA       VAL  44  59.367  -2.615  -0.042
  331    HB   VAL  44           HB       VAL  44  61.036  -0.115   0.014
  332   1HG1  VAL  44          HG13      VAL  44  61.934  -2.854  -0.891
  333   2HG1  VAL  44          HG12      VAL  44  62.592  -1.384  -1.611
  334   3HG1  VAL  44          HG11      VAL  44  62.802  -1.692   0.112
  335   1HG2  VAL  44          HG21      VAL  44  59.010  -0.743  -1.540
  336   2HG2  VAL  44          HG23      VAL  44  60.433   0.028  -2.239
  337   3HG2  VAL  44          HG22      VAL  44  60.209  -1.715  -2.392
  338    H    MET  45           HN       MET  45  60.775  -1.049   2.782
  339    HA   MET  45           HA       MET  45  62.717  -3.202   3.265
  340   1HB   MET  45           HB2      MET  45  61.820  -0.650   4.573
  341   2HB   MET  45           HB1      MET  45  62.793  -1.793   5.499
  342   1HG   MET  45           HG2      MET  45  63.767  -1.244   2.759
  343   2HG   MET  45           HG1      MET  45  63.854   0.120   3.875
  344   1HE   MET  45           HE2      MET  45  65.617   0.677   4.650
  345   2HE   MET  45           HE1      MET  45  66.860  -0.193   5.545
  346   3HE   MET  45           HE3      MET  45  66.906  -0.149   3.778
  347    H    ARG  46           HN       ARG  46  59.598  -2.136   4.620
  348    HA   ARG  46           HA       ARG  46  59.459  -4.018   6.770
  349   1HB   ARG  46           HB2      ARG  46  57.207  -2.840   5.113
  350   2HB   ARG  46           HB1      ARG  46  57.119  -3.369   6.793
  351   1HG   ARG  46           HG2      ARG  46  59.266  -1.547   6.687
  352   2HG   ARG  46           HG1      ARG  46  57.973  -0.813   5.739
  353   1HD   ARG  46           HD2      ARG  46  56.549  -1.740   7.878
  354   2HD   ARG  46           HD1      ARG  46  58.096  -1.335   8.649
  355    HE   ARG  46           HE       ARG  46  57.889   0.938   7.645
  356   1HH1  ARG  46          HH11      ARG  46  55.305  -0.982   6.627
  357   2HH1  ARG  46          HH12      ARG  46  54.087   0.221   6.899
  358   1HH2  ARG  46          HH21      ARG  46  56.253   2.443   8.446
  359   2HH2  ARG  46          HH22      ARG  46  54.625   2.159   7.931
  360    H    MET  47           HN       MET  47  58.550  -4.249   3.346
  361    HA   MET  47           HA       MET  47  57.231  -6.833   3.616
  362   1HB   MET  47           HB2      MET  47  57.768  -4.791   1.632
  363   2HB   MET  47           HB1      MET  47  58.085  -6.392   0.961
  364   1HG   MET  47           HG2      MET  47  55.877  -7.145   1.454
  365   2HG   MET  47           HG1      MET  47  55.557  -5.756   2.494
  366   1HE   MET  47           HE2      MET  47  57.130  -6.630  -0.667
  367   2HE   MET  47           HE1      MET  47  56.178  -5.927  -1.973
  368   3HE   MET  47           HE3      MET  47  57.411  -4.959  -1.152
  369    H    LEU  48           HN       LEU  48  60.515  -5.779   3.337
  370    HA   LEU  48           HA       LEU  48  61.444  -8.436   2.371
  371   1HB   LEU  48           HB2      LEU  48  62.592  -5.678   2.728
  372   2HB   LEU  48           HB1      LEU  48  63.678  -7.058   2.563
  373    HG   LEU  48           HG       LEU  48  61.418  -6.691   0.614
  374   1HD1  LEU  48          HD11      LEU  48  63.426  -4.758   1.033
  375   2HD1  LEU  48          HD13      LEU  48  63.932  -5.670  -0.391
  376   3HD1  LEU  48          HD12      LEU  48  62.352  -4.888  -0.359
  377   1HD2  LEU  48          HD22      LEU  48  62.815  -8.790   0.725
  378   2HD2  LEU  48          HD21      LEU  48  62.884  -7.969  -0.835
  379   3HD2  LEU  48          HD23      LEU  48  64.220  -7.810   0.305
  380    H    GLY  49           HN       GLY  49  61.414  -6.397   5.251
  381   1HA   GLY  49           HA2      GLY  49  61.575  -8.276   7.212
  382   2HA   GLY  49           HA1      GLY  49  63.262  -8.159   6.705
  383    H    GLN  50           HN       GLN  50  63.888  -5.651   6.406
  384    HA   GLN  50           HA       GLN  50  64.085  -4.476   8.946
  385   1HB   GLN  50           HB2      GLN  50  64.330  -3.627   6.101
  386   2HB   GLN  50           HB1      GLN  50  64.244  -2.337   7.301
  387   1HG   GLN  50           HG2      GLN  50  66.202  -4.654   7.329
  388   2HG   GLN  50           HG1      GLN  50  66.584  -2.984   6.908
  389   1HE2  GLN  50          HE22      GLN  50  66.800  -4.005  10.730
  390   2HE2  GLN  50          HE21      GLN  50  66.891  -5.089   9.427
  391    H    ASN  51           HN       ASN  51  62.587  -3.472  10.233
  392    HA   ASN  51           HA       ASN  51  60.145  -2.314   8.925
  393   1HB   ASN  51           HB2      ASN  51  58.992  -3.112  11.050
  394   2HB   ASN  51           HB1      ASN  51  59.567  -4.400   9.991
  395   1HD2  ASN  51          HD22      ASN  51  61.481  -3.759  13.572
  396   2HD2  ASN  51          HD21      ASN  51  60.519  -2.526  12.908
  397    HA   PRO  52           HA       PRO  52  62.396   0.632  11.824
  398   1HB   PRO  52           HB2      PRO  52  63.191   2.456   9.945
  399   2HB   PRO  52           HB1      PRO  52  64.184   1.065  10.421
  400   1HG   PRO  52           HG2      PRO  52  62.481   1.439   8.015
  401   2HG   PRO  52           HG1      PRO  52  64.045   0.625   8.178
  402   1HD   PRO  52           HD2      PRO  52  61.644  -0.686   8.025
  403   2HD   PRO  52           HD1      PRO  52  63.094  -1.351   8.808
  404    H    THR  53           HN       THR  53  61.941   3.211  11.710
  405    HA   THR  53           HA       THR  53  59.009   3.467  11.249
  406    HB   THR  53           HB       THR  53  59.943   5.744  12.529
  407    HG1  THR  53           HG1      THR  53  61.281   3.664  13.806
  408   1HG2  THR  53          HG22      THR  53  58.484   3.325  13.161
  409   2HG2  THR  53          HG21      THR  53  59.437   3.855  14.548
  410   3HG2  THR  53          HG23      THR  53  58.271   4.952  13.808
  411    HA   PRO  54           HA       PRO  54  59.503   6.268   7.909
  412   1HB   PRO  54           HB2      PRO  54  57.569   8.138   8.412
  413   2HB   PRO  54           HB1      PRO  54  57.201   6.488   7.870
  414   1HG   PRO  54           HG2      PRO  54  57.053   7.662  10.597
  415   2HG   PRO  54           HG1      PRO  54  55.991   6.482   9.814
  416   1HD   PRO  54           HD2      PRO  54  57.914   5.826  11.652
  417   2HD   PRO  54           HD1      PRO  54  57.305   4.713  10.408
  418    H    GLU  55           HN       GLU  55  58.814   8.249  10.825
  419    HA   GLU  55           HA       GLU  55  60.219  10.573  10.104
  420   1HB   GLU  55           HB2      GLU  55  59.343   9.192  12.580
  421   2HB   GLU  55           HB1      GLU  55  60.583  10.426  12.799
  422   1HG   GLU  55           HG2      GLU  55  58.968  11.988  12.678
  423   2HG   GLU  55           HG1      GLU  55  58.716  11.528  10.993
  424    H    GLU  56           HN       GLU  56  61.474   7.461  11.093
  425    HA   GLU  56           HA       GLU  56  64.143   8.443  11.792
  426   1HB   GLU  56           HB2      GLU  56  62.741   5.807  11.433
  427   2HB   GLU  56           HB1      GLU  56  64.499   5.838  11.558
  428   1HG   GLU  56           HG2      GLU  56  62.668   7.176  13.564
  429   2HG   GLU  56           HG1      GLU  56  63.296   5.540  13.765
  430    H    LEU  57           HN       LEU  57  62.808   6.532   9.057
  431    HA   LEU  57           HA       LEU  57  65.031   6.181   7.455
  432   1HB   LEU  57           HB2      LEU  57  62.179   6.353   7.179
  433   2HB   LEU  57           HB1      LEU  57  62.920   7.177   5.805
  434    HG   LEU  57           HG       LEU  57  64.291   5.205   5.325
  435   1HD1  LEU  57          HD11      LEU  57  62.915   4.091   7.785
  436   2HD1  LEU  57          HD13      LEU  57  63.798   3.094   6.630
  437   3HD1  LEU  57          HD12      LEU  57  64.645   4.337   7.549
  438   1HD2  LEU  57          HD21      LEU  57  61.316   4.979   5.553
  439   2HD2  LEU  57          HD23      LEU  57  62.332   4.978   4.111
  440   3HD2  LEU  57          HD22      LEU  57  62.221   3.530   5.112
  441    H    GLN  58           HN       GLN  58  63.120   9.186   7.751
  442    HA   GLN  58           HA       GLN  58  64.505  10.756   5.833
  443   1HB   GLN  58           HB2      GLN  58  62.564  11.037   7.902
  444   2HB   GLN  58           HB1      GLN  58  63.776  12.293   8.154
  445   1HG   GLN  58           HG2      GLN  58  62.293  13.316   6.651
  446   2HG   GLN  58           HG1      GLN  58  63.548  12.687   5.583
  447   1HE2  GLN  58          HE22      GLN  58  61.163  10.850   3.773
  448   2HE2  GLN  58          HE21      GLN  58  62.572  11.797   3.760
  449    H    GLU  59           HN       GLU  59  65.527  12.939   7.371
  450    HA   GLU  59           HA       GLU  59  67.567  13.643   8.340
  451   1HB   GLU  59           HB2      GLU  59  66.447  11.407   9.849
  452   2HB   GLU  59           HB1      GLU  59  68.203  11.492  10.014
  453   1HG   GLU  59           HG2      GLU  59  67.151  14.153  10.169
  454   2HG   GLU  59           HG1      GLU  59  66.249  13.130  11.286
  455    H    MET  60           HN       MET  60  68.318  10.203   8.619
  456    HA   MET  60           HA       MET  60  70.903  10.228   7.621
  457   1HB   MET  60           HB2      MET  60  69.260   8.362   8.549
  458   2HB   MET  60           HB1      MET  60  69.035   8.012   6.835
  459   1HG   MET  60           HG2      MET  60  71.764   8.267   6.994
  460   2HG   MET  60           HG1      MET  60  71.381   7.540   8.555
  461   1HE   MET  60           HE3      MET  60  69.633   5.748   8.801
  462   2HE   MET  60           HE2      MET  60  68.521   6.000   7.458
  463   3HE   MET  60           HE1      MET  60  69.319   4.442   7.650
  464    H    ILE  61           HN       ILE  61  67.919   9.794   5.688
  465    HA   ILE  61           HA       ILE  61  69.039   9.424   3.141
  466    HB   ILE  61           HB       ILE  61  66.585  10.937   4.082
  467   1HG1  ILE  61          HG12      ILE  61  66.878   8.152   2.917
  468   2HG1  ILE  61          HG11      ILE  61  66.824   8.487   4.648
  469   1HG2  ILE  61          HG21      ILE  61  67.600  11.245   1.602
  470   2HG2  ILE  61          HG23      ILE  61  66.715   9.740   1.359
  471   3HG2  ILE  61          HG22      ILE  61  65.866  11.182   1.913
  472   1HD1  ILE  61          HD12      ILE  61  64.663   9.548   2.844
  473   2HD1  ILE  61          HD11      ILE  61  64.601   7.878   3.409
  474   3HD1  ILE  61          HD13      ILE  61  64.595   9.203   4.572
  475    H    ASP  62           HN       ASP  62  67.655  12.594   4.017
  476    HA   ASP  62           HA       ASP  62  68.981  14.151   2.121
  477   1HB   ASP  62           HB2      ASP  62  67.156  14.808   3.721
  478   2HB   ASP  62           HB1      ASP  62  68.372  14.912   4.995
  479    H    GLU  63           HN       GLU  63  70.311  12.693   4.999
  480    HA   GLU  63           HA       GLU  63  72.736  14.396   4.920
  481   1HB   GLU  63           HB2      GLU  63  71.770  12.132   6.694
  482   2HB   GLU  63           HB1      GLU  63  73.278  13.010   6.955
  483   1HG   GLU  63           HG2      GLU  63  71.192  14.928   6.573
  484   2HG   GLU  63           HG1      GLU  63  70.647  13.756   7.774
  485    H    VAL  64           HN       VAL  64  71.634  11.594   3.412
  486    HA   VAL  64           HA       VAL  64  74.452  10.693   2.909
  487    HB   VAL  64           HB       VAL  64  72.904   9.303   4.462
  488   1HG1  VAL  64          HG11      VAL  64  70.904   9.497   2.991
  489   2HG1  VAL  64          HG13      VAL  64  71.744   8.544   1.767
  490   3HG1  VAL  64          HG12      VAL  64  71.335   7.820   3.322
  491   1HG2  VAL  64          HG22      VAL  64  75.032   8.608   3.067
  492   2HG2  VAL  64          HG21      VAL  64  74.042   7.367   3.834
  493   3HG2  VAL  64          HG23      VAL  64  73.861   7.701   2.111
  494    H    ASP  65           HN       ASP  65  71.149  11.023   1.705
  495    HA   ASP  65           HA       ASP  65  72.144  10.537  -1.084
  496   1HB   ASP  65           HB2      ASP  65  70.078   9.399   0.368
  497   2HB   ASP  65           HB1      ASP  65  69.247  10.617  -0.599
  498    H    GLU  66           HN       GLU  66  72.838  13.002  -0.429
  499    HA   GLU  66           HA       GLU  66  70.764  15.017  -0.582
  500   1HB   GLU  66           HB2      GLU  66  73.342  14.936   0.199
  501   2HB   GLU  66           HB1      GLU  66  73.569  15.567  -1.432
  502   1HG   GLU  66           HG2      GLU  66  72.793  17.596  -0.835
  503   2HG   GLU  66           HG1      GLU  66  71.349  16.889  -0.107
  504    H    ASP  67           HN       ASP  67  72.405  13.081  -2.938
  505    HA   ASP  67           HA       ASP  67  71.677  14.940  -5.154
  506   1HB   ASP  67           HB2      ASP  67  73.725  12.957  -4.571
  507   2HB   ASP  67           HB1      ASP  67  72.963  12.639  -6.131
  508    H    GLY  68           HN       GLY  68  70.366  12.325  -3.479
  509   1HA   GLY  68           HA2      GLY  68  69.164  10.935  -5.744
  510   2HA   GLY  68           HA1      GLY  68  68.770  10.676  -4.044
  511    H    SER  69           HN       SER  69  68.407  13.733  -3.859
  512    HA   SER  69           HA       SER  69  66.617  15.266  -4.076
  513   1HB   SER  69           HB2      SER  69  67.119  14.455  -6.524
  514   2HB   SER  69           HB1      SER  69  65.615  13.556  -6.344
  515    HG   SER  69           HG       SER  69  64.872  15.771  -5.510
  516    H    GLY  70           HN       GLY  70  66.408  12.655  -2.541
  517   1HA   GLY  70           HA2      GLY  70  64.608  12.049  -1.056
  518   2HA   GLY  70           HA1      GLY  70  63.461  12.732  -2.210
  519    H    THR  71           HN       THR  71  65.970  10.696  -3.457
  520    HA   THR  71           HA       THR  71  64.214   8.296  -3.438
  521    HB   THR  71           HB       THR  71  64.124   8.207  -5.839
  522    HG1  THR  71           HG1      THR  71  65.926  10.393  -5.730
  523   1HG2  THR  71          HG21      THR  71  62.624   9.880  -4.649
  524   2HG2  THR  71          HG23      THR  71  63.760  11.131  -5.155
  525   3HG2  THR  71          HG22      THR  71  62.887  10.189  -6.364
  526    H    VAL  72           HN       VAL  72  65.428   6.397  -3.528
  527    HA   VAL  72           HA       VAL  72  68.396   6.732  -3.653
  528    HB   VAL  72           HB       VAL  72  68.152   4.321  -2.610
  529   1HG1  VAL  72          HG12      VAL  72  67.657   6.986  -1.319
  530   2HG1  VAL  72          HG11      VAL  72  67.698   5.513  -0.347
  531   3HG1  VAL  72          HG13      VAL  72  69.114   5.989  -1.286
  532   1HG2  VAL  72          HG21      VAL  72  65.652   4.308  -3.071
  533   2HG2  VAL  72          HG23      VAL  72  66.108   3.935  -1.409
  534   3HG2  VAL  72          HG22      VAL  72  65.495   5.537  -1.816
  535    H    ASP  73           HN       ASP  73  69.602   4.911  -4.636
  536    HA   ASP  73           HA       ASP  73  68.129   3.694  -6.950
  537   1HB   ASP  73           HB2      ASP  73  71.065   4.438  -6.779
  538   2HB   ASP  73           HB1      ASP  73  70.139   4.052  -8.229
  539    H    PHE  74           HN       PHE  74  69.155   1.569  -7.643
  540    HA   PHE  74           HA       PHE  74  69.330  -0.336  -5.615
  541   1HB   PHE  74           HB2      PHE  74  69.357  -0.403  -8.273
  542   2HB   PHE  74           HB1      PHE  74  71.097  -0.566  -8.027
  543    HD1  PHE  74           HD1      PHE  74  67.987  -1.893  -6.385
  544    HD2  PHE  74           HD2      PHE  74  71.859  -2.757  -8.026
  545    HE1  PHE  74           HE1      PHE  74  67.686  -4.291  -5.828
  546    HE2  PHE  74           HE2      PHE  74  71.560  -5.155  -7.469
  547    HZ   PHE  74           HZ       PHE  74  69.473  -5.922  -6.371
  548    H    ASP  75           HN       ASP  75  71.744   1.975  -6.613
  549    HA   ASP  75           HA       ASP  75  73.999   0.614  -5.342
  550   1HB   ASP  75           HB2      ASP  75  73.697   2.470  -7.292
  551   2HB   ASP  75           HB1      ASP  75  74.040   3.529  -5.924
  552    H    GLU  76           HN       GLU  76  71.711   3.193  -4.463
  553    HA   GLU  76           HA       GLU  76  73.132   3.823  -1.970
  554   1HB   GLU  76           HB2      GLU  76  70.355   4.592  -2.917
  555   2HB   GLU  76           HB1      GLU  76  71.341   5.438  -1.725
  556   1HG   GLU  76           HG2      GLU  76  72.285   5.015  -4.563
  557   2HG   GLU  76           HG1      GLU  76  71.321   6.418  -4.100
  558    H    PHE  77           HN       PHE  77  69.896   2.470  -2.750
  559    HA   PHE  77           HA       PHE  77  68.938   1.800  -0.255
  560   1HB   PHE  77           HB2      PHE  77  67.846   1.366  -2.436
  561   2HB   PHE  77           HB1      PHE  77  68.982   0.051  -2.738
  562    HD1  PHE  77           HD1      PHE  77  67.354   0.985   0.484
  563    HD2  PHE  77           HD2      PHE  77  67.593  -1.872  -2.714
  564    HE1  PHE  77           HE1      PHE  77  65.899  -0.565   1.761
  565    HE2  PHE  77           HE2      PHE  77  66.138  -3.423  -1.437
  566    HZ   PHE  77           HZ       PHE  77  65.291  -2.769   0.801
  567    H    LEU  78           HN       LEU  78  71.058  -0.364  -2.183
  568    HA   LEU  78           HA       LEU  78  71.461  -2.450  -0.407
  569   1HB   LEU  78           HB2      LEU  78  73.199  -0.978  -2.367
  570   2HB   LEU  78           HB1      LEU  78  73.900  -2.285  -1.412
  571    HG   LEU  78           HG       LEU  78  71.387  -2.547  -3.088
  572   1HD1  LEU  78          HD11      LEU  78  73.410  -2.197  -4.475
  573   2HD1  LEU  78          HD13      LEU  78  74.211  -3.521  -3.627
  574   3HD1  LEU  78          HD12      LEU  78  72.797  -3.843  -4.633
  575   1HD2  LEU  78          HD22      LEU  78  72.847  -4.272  -1.169
  576   2HD2  LEU  78          HD21      LEU  78  71.147  -4.300  -1.638
  577   3HD2  LEU  78          HD23      LEU  78  72.360  -5.057  -2.672
  578    H    VAL  79           HN       VAL  79  73.320   0.617  -0.432
  579    HA   VAL  79           HA       VAL  79  74.913   0.026   1.876
  580    HB   VAL  79           HB       VAL  79  73.969   2.663   0.703
  581   1HG1  VAL  79          HG12      VAL  79  75.839   1.930   2.868
  582   2HG1  VAL  79          HG11      VAL  79  76.500   3.051   1.678
  583   3HG1  VAL  79          HG13      VAL  79  75.026   3.463   2.554
  584   1HG2  VAL  79          HG22      VAL  79  75.153   0.936  -0.810
  585   2HG2  VAL  79          HG21      VAL  79  75.849   2.554  -0.743
  586   3HG2  VAL  79          HG23      VAL  79  76.583   1.240   0.177
  587    H    MET  80           HN       MET  80  71.850   1.843   1.518
  588    HA   MET  80           HA       MET  80  71.541   2.628   4.235
  589   1HB   MET  80           HB2      MET  80  69.917   2.313   1.787
  590   2HB   MET  80           HB1      MET  80  68.993   2.254   3.288
  591   1HG   MET  80           HG2      MET  80  70.611   4.360   3.824
  592   2HG   MET  80           HG1      MET  80  70.482   4.515   2.073
  593   1HE   MET  80           HE2      MET  80  69.402   5.978   1.324
  594   2HE   MET  80           HE1      MET  80  67.665   6.272   1.368
  595   3HE   MET  80           HE3      MET  80  68.734   7.097   2.511
  596    H    MET  81           HN       MET  81  70.698  -0.387   2.564
  597    HA   MET  81           HA       MET  81  69.184  -1.555   4.725
  598   1HB   MET  81           HB2      MET  81  70.086  -2.160   2.067
  599   2HB   MET  81           HB1      MET  81  70.455  -3.534   3.110
  600   1HG   MET  81           HG2      MET  81  67.746  -2.181   2.970
  601   2HG   MET  81           HG1      MET  81  68.166  -3.659   2.104
  602   1HE   MET  81           HE1      MET  81  69.460  -5.331   3.077
  603   2HE   MET  81           HE3      MET  81  69.653  -5.739   4.787
  604   3HE   MET  81           HE2      MET  81  68.268  -6.346   3.883
  605    H    VAL  82           HN       VAL  82  72.536  -2.187   3.601
  606    HA   VAL  82           HA       VAL  82  73.251  -3.905   5.776
  607    HB   VAL  82           HB       VAL  82  75.532  -3.481   4.941
  608   1HG1  VAL  82          HG13      VAL  82  73.969  -4.922   3.631
  609   2HG1  VAL  82          HG12      VAL  82  73.511  -3.510   2.679
  610   3HG1  VAL  82          HG11      VAL  82  75.165  -4.119   2.614
  611   1HG2  VAL  82          HG23      VAL  82  74.729  -0.918   4.583
  612   2HG2  VAL  82          HG22      VAL  82  76.124  -1.608   3.757
  613   3HG2  VAL  82          HG21      VAL  82  74.570  -1.514   2.931
  614    H    ARG  83           HN       ARG  83  72.958  -0.447   5.565
  615    HA   ARG  83           HA       ARG  83  74.702   0.086   7.879
  616   1HB   ARG  83           HB2      ARG  83  74.333   1.562   5.832
  617   2HB   ARG  83           HB1      ARG  83  72.727   1.906   6.475
  618   1HG   ARG  83           HG2      ARG  83  74.416   2.289   8.659
  619   2HG   ARG  83           HG1      ARG  83  75.311   2.975   7.302
  620   1HD   ARG  83           HD2      ARG  83  74.004   4.819   7.511
  621   2HD   ARG  83           HD1      ARG  83  72.650   3.829   6.931
  622    HE   ARG  83           HE       ARG  83  71.886   3.668   9.163
  623   1HH1  ARG  83          HH21      ARG  83  73.574   2.473  10.884
  624   2HH1  ARG  83          HH22      ARG  83  74.419   3.705  11.762
  625   1HH2  ARG  83          HH11      ARG  83  73.669   6.213   9.489
  626   2HH2  ARG  83          HH12      ARG  83  74.471   5.821  10.973
  627    H    CYS  84           HN       CYS  84  71.507  -0.983   7.437
  628    HA   CYS  84           HA       CYS  84  70.760  -0.005  10.176
  629   1HB   CYS  84           HB2      CYS  84  69.598   0.569   7.701
  630   2HB   CYS  84           HB1      CYS  84  68.546  -0.668   8.391
  631    HG   CYS  84           HG       CYS  84  69.280   1.773  10.178
  632    H    MET  85           HN       MET  85  71.939  -2.638   8.940
  633    HA   MET  85           HA       MET  85  69.820  -4.596   9.559
  634   1HB   MET  85           HB2      MET  85  71.435  -6.171   8.712
  635   2HB   MET  85           HB1      MET  85  71.551  -4.735   7.694
  636   1HG   MET  85           HG2      MET  85  73.383  -3.975   9.387
  637   2HG   MET  85           HG1      MET  85  73.434  -5.676   9.844
  638   1HE   MET  85           HE3      MET  85  73.772  -7.615   8.224
  639   2HE   MET  85           HE2      MET  85  72.574  -7.014   7.080
  640   3HE   MET  85           HE1      MET  85  74.175  -7.474   6.507
  641    H    LYS  86           HN       LYS  86  70.599  -6.499  11.040
  642    HA   LYS  86           HA       LYS  86  72.105  -5.415  13.396
  643   1HB   LYS  86           HB2      LYS  86  69.360  -6.531  13.111
  644   2HB   LYS  86           HB1      LYS  86  70.263  -7.032  14.542
  645   1HG   LYS  86           HG2      LYS  86  70.702  -4.657  15.087
  646   2HG   LYS  86           HG1      LYS  86  69.764  -4.168  13.676
  647   1HD   LYS  86           HD2      LYS  86  67.863  -4.328  14.864
  648   2HD   LYS  86           HD1      LYS  86  68.203  -6.026  15.197
  649   1HE   LYS  86           HE2      LYS  86  69.233  -5.557  17.247
  650   2HE   LYS  86           HE1      LYS  86  69.622  -3.889  16.779
  651   1HZ   LYS  86           HZ2      LYS  86  66.842  -4.893  17.031
  652   2HZ   LYS  86           HZ1      LYS  86  67.662  -4.130  18.309
  653   3HZ   LYS  86           HZ3      LYS  86  67.353  -3.281  16.874
  654    H    ASP  87           HN       ASP  87  73.477  -6.944  11.596
  655    HA   ASP  87           HA       ASP  87  74.744  -8.930  11.410
  656   1HB   ASP  87           HB2      ASP  87  74.248  -8.290  14.161
  657   2HB   ASP  87           HB1      ASP  87  74.221 -10.046  13.985
  658    H    ASP  88           HN       ASP  88  72.674  -9.478   9.999
  659    HA   ASP  88           HA       ASP  88  70.811 -11.435  11.095
  660   1HB   ASP  88           HB2      ASP  88  70.542  -9.755   9.151
  661   2HB   ASP  88           HB1      ASP  88  71.462 -10.913   8.189
  662    H    SER  89           HN       SER  89  70.725 -13.702  10.376
  663    HA   SER  89           HA       SER  89  73.366 -14.785   9.456
  664   1HB   SER  89           HB2      SER  89  73.486 -15.456  11.639
  665   2HB   SER  89           HB1      SER  89  71.757 -15.244  11.895
  666    HG   SER  89           HG       SER  89  73.195 -17.461  11.074
   
  No H/Q in entry =         666
  Start of MODEL   29
    1   1H    MET   1           HT3      MET   1  87.744   2.855   3.561
    2   2H    MET   1           HT2      MET   1  89.314   2.274   3.848
    3   3H    MET   1           HT1      MET   1  88.616   3.405   4.906
    4    HA   MET   1           HA       MET   1  89.922   4.817   3.687
    5   1HB   MET   1           HB2      MET   1  89.749   2.483   1.933
    6   2HB   MET   1           HB1      MET   1  89.775   3.996   1.027
    7   1HG   MET   1           HG2      MET   1  91.980   4.199   1.405
    8   2HG   MET   1           HG1      MET   1  91.688   4.194   3.145
    9   1HE   MET   1           HE1      MET   1  93.740   3.553   3.424
   10   2HE   MET   1           HE3      MET   1  93.931   1.911   4.054
   11   3HE   MET   1           HE2      MET   1  94.629   2.347   2.497
   12    H    ASP   2           HN       ASP   2  87.673   5.803   4.321
   13    HA   ASP   2           HA       ASP   2  85.826   7.147   3.709
   14   1HB   ASP   2           HB2      ASP   2  87.865   7.310   1.515
   15   2HB   ASP   2           HB1      ASP   2  86.310   8.111   1.280
   16    H    ASP   3           HN       ASP   3  85.385   4.346   3.333
   17    HA   ASP   3           HA       ASP   3  83.128   4.366   1.555
   18   1HB   ASP   3           HB2      ASP   3  85.495   4.342   0.211
   19   2HB   ASP   3           HB1      ASP   3  85.217   2.610   0.396
   20    H    ILE   4           HN       ILE   4  83.857   3.374   4.224
   21    HA   ILE   4           HA       ILE   4  84.348   0.618   4.442
   22    HB   ILE   4           HB       ILE   4  83.259   0.815   6.578
   23   1HG1  ILE   4          HG12      ILE   4  81.723   3.054   5.238
   24   2HG1  ILE   4          HG11      ILE   4  81.080   1.580   5.961
   25   1HG2  ILE   4          HG22      ILE   4  85.101   2.684   5.662
   26   2HG2  ILE   4          HG21      ILE   4  83.862   3.670   6.437
   27   3HG2  ILE   4          HG23      ILE   4  84.674   2.398   7.350
   28   1HD1  ILE   4          HD13      ILE   4  82.555   2.808   8.011
   29   2HD1  ILE   4          HD12      ILE   4  81.681   4.123   7.224
   30   3HD1  ILE   4          HD11      ILE   4  80.797   2.741   7.872
   31    H    TYR   5           HN       TYR   5  81.570   2.250   3.137
   32    HA   TYR   5           HA       TYR   5  79.676   0.067   3.384
   33   1HB   TYR   5           HB2      TYR   5  79.770   2.329   1.365
   34   2HB   TYR   5           HB1      TYR   5  78.340   1.456   1.918
   35    HD1  TYR   5           HD2      TYR   5  79.551   1.350   4.878
   36    HD2  TYR   5           HD1      TYR   5  78.718   4.481   2.057
   37    HE1  TYR   5           HE2      TYR   5  79.281   2.960   6.744
   38    HE2  TYR   5           HE1      TYR   5  78.447   6.090   3.924
   39    HH   TYR   5           HH       TYR   5  77.880   5.313   6.952
   40    H    LYS   6           HN       LYS   6  82.175   0.928   1.058
   41    HA   LYS   6           HA       LYS   6  81.476  -0.429  -1.256
   42   1HB   LYS   6           HB2      LYS   6  83.624   0.829  -0.549
   43   2HB   LYS   6           HB1      LYS   6  84.182  -0.730   0.058
   44   1HG   LYS   6           HG2      LYS   6  85.015  -0.652  -2.153
   45   2HG   LYS   6           HG1      LYS   6  83.561  -1.642  -2.281
   46   1HD   LYS   6           HD2      LYS   6  82.484   0.821  -2.644
   47   2HD   LYS   6           HD1      LYS   6  84.090   1.083  -3.327
   48   1HE   LYS   6           HE2      LYS   6  83.806  -0.675  -4.926
   49   2HE   LYS   6           HE1      LYS   6  82.361  -1.288  -4.097
   50   1HZ   LYS   6           HZ1      LYS   6  82.610   1.440  -5.249
   51   2HZ   LYS   6           HZ3      LYS   6  81.827   0.149  -6.020
   52   3HZ   LYS   6           HZ2      LYS   6  81.219   0.754  -4.555
   53    H    ALA   7           HN       ALA   7  82.705  -1.840   1.772
   54    HA   ALA   7           HA       ALA   7  82.774  -4.569   0.776
   55   1HB   ALA   7           HB1      ALA   7  83.664  -3.103   2.980
   56   2HB   ALA   7           HB3      ALA   7  82.457  -4.194   3.660
   57   3HB   ALA   7           HB2      ALA   7  83.830  -4.847   2.767
   58    H    ALA   8           HN       ALA   8  80.317  -2.477   2.100
   59    HA   ALA   8           HA       ALA   8  78.465  -4.247   3.236
   60   1HB   ALA   8           HB1      ALA   8  78.297  -1.774   3.107
   61   2HB   ALA   8           HB3      ALA   8  77.974  -1.895   1.378
   62   3HB   ALA   8           HB2      ALA   8  76.815  -2.543   2.539
   63    H    VAL   9           HN       VAL   9  78.590  -3.264  -0.214
   64    HA   VAL   9           HA       VAL   9  76.660  -5.274  -1.036
   65    HB   VAL   9           HB       VAL   9  78.667  -3.566  -2.543
   66   1HG1  VAL   9          HG12      VAL   9  76.493  -5.439  -3.411
   67   2HG1  VAL   9          HG11      VAL   9  76.778  -3.976  -4.354
   68   3HG1  VAL   9          HG13      VAL   9  78.075  -5.151  -4.136
   69   1HG2  VAL   9          HG21      VAL   9  76.513  -2.748  -1.052
   70   2HG2  VAL   9          HG23      VAL   9  77.149  -1.870  -2.443
   71   3HG2  VAL   9          HG22      VAL   9  75.778  -2.963  -2.641
   72    H    GLU  10           HN       GLU  10  80.193  -5.067  -0.931
   73    HA   GLU  10           HA       GLU  10  80.910  -7.249  -2.564
   74   1HB   GLU  10           HB2      GLU  10  82.420  -5.600  -1.460
   75   2HB   GLU  10           HB1      GLU  10  82.096  -6.375   0.092
   76   1HG   GLU  10           HG2      GLU  10  82.959  -8.189  -2.087
   77   2HG   GLU  10           HG1      GLU  10  84.181  -7.057  -1.507
   78    H    GLN  11           HN       GLN  11  79.474  -7.217   0.646
   79    HA   GLN  11           HA       GLN  11  79.955 -10.103   1.065
   80   1HB   GLN  11           HB2      GLN  11  78.401  -8.012   2.627
   81   2HB   GLN  11           HB1      GLN  11  78.825  -9.621   3.212
   82   1HG   GLN  11           HG2      GLN  11  81.049  -9.085   3.493
   83   2HG   GLN  11           HG1      GLN  11  81.041  -7.907   2.181
   84   1HE2  GLN  11          HE22      GLN  11  80.773  -6.489   5.850
   85   2HE2  GLN  11          HE21      GLN  11  81.479  -7.968   5.407
   86    H    LEU  12           HN       LEU  12  77.367  -7.948   0.028
   87    HA   LEU  12           HA       LEU  12  75.123  -9.663   0.389
   88   1HB   LEU  12           HB2      LEU  12  75.872  -7.451  -1.525
   89   2HB   LEU  12           HB1      LEU  12  74.301  -8.246  -1.633
   90    HG   LEU  12           HG       LEU  12  75.414  -6.901   0.847
   91   1HD1  LEU  12          HD11      LEU  12  73.308  -6.067  -1.167
   92   2HD1  LEU  12          HD13      LEU  12  73.514  -5.296   0.406
   93   3HD1  LEU  12          HD12      LEU  12  74.811  -5.225  -0.787
   94   1HD2  LEU  12          HD21      LEU  12  72.810  -8.316   0.228
   95   2HD2  LEU  12          HD23      LEU  12  73.962  -8.691   1.509
   96   3HD2  LEU  12          HD22      LEU  12  72.994  -7.220   1.598
   97    H    THR  13           HN       THR  13  74.365 -11.402  -0.811
   98    HA   THR  13           HA       THR  13  76.061 -12.298  -3.114
   99    HB   THR  13           HB       THR  13  74.745 -14.500  -2.436
  100    HG1  THR  13           HG1      THR  13  74.647 -14.158   0.037
  101   1HG2  THR  13          HG21      THR  13  77.158 -13.183  -1.367
  102   2HG2  THR  13          HG23      THR  13  76.522 -14.483  -0.359
  103   3HG2  THR  13          HG22      THR  13  76.961 -14.802  -2.037
  104    H    GLU  14           HN       GLU  14  74.890 -13.280  -4.946
  105    HA   GLU  14           HA       GLU  14  72.705 -11.769  -5.925
  106   1HB   GLU  14           HB2      GLU  14  74.441 -13.543  -6.937
  107   2HB   GLU  14           HB1      GLU  14  73.059 -14.622  -6.740
  108   1HG   GLU  14           HG2      GLU  14  71.831 -13.566  -8.356
  109   2HG   GLU  14           HG1      GLU  14  72.478 -11.975  -7.951
  110    H    GLU  15           HN       GLU  15  72.741 -14.307  -3.593
  111    HA   GLU  15           HA       GLU  15  70.173 -15.481  -3.981
  112   1HB   GLU  15           HB2      GLU  15  72.269 -15.906  -2.372
  113   2HB   GLU  15           HB1      GLU  15  71.268 -14.993  -1.242
  114   1HG   GLU  15           HG2      GLU  15  69.800 -16.699  -0.993
  115   2HG   GLU  15           HG1      GLU  15  69.768 -17.032  -2.726
  116    H    GLN  16           HN       GLN  16  71.112 -12.832  -1.737
  117    HA   GLN  16           HA       GLN  16  68.276 -12.188  -1.274
  118   1HB   GLN  16           HB2      GLN  16  69.105 -11.111   0.577
  119   2HB   GLN  16           HB1      GLN  16  70.528 -12.090   0.237
  120   1HG   GLN  16           HG2      GLN  16  70.109  -9.283  -0.832
  121   2HG   GLN  16           HG1      GLN  16  71.045  -9.661   0.615
  122   1HE2  GLN  16          HE22      GLN  16  72.926  -9.837  -2.853
  123   2HE2  GLN  16          HE21      GLN  16  71.530  -8.925  -2.537
  124    H    LYS  17           HN       LYS  17  70.773 -11.235  -3.442
  125    HA   LYS  17           HA       LYS  17  69.869  -8.528  -3.974
  126   1HB   LYS  17           HB2      LYS  17  72.062 -10.088  -4.530
  127   2HB   LYS  17           HB1      LYS  17  71.253 -10.046  -6.097
  128   1HG   LYS  17           HG2      LYS  17  71.134  -7.558  -5.924
  129   2HG   LYS  17           HG1      LYS  17  72.060  -7.648  -4.426
  130   1HD   LYS  17           HD2      LYS  17  73.042  -8.817  -7.040
  131   2HD   LYS  17           HD1      LYS  17  73.433  -7.180  -6.511
  132   1HE   LYS  17           HE2      LYS  17  74.758  -7.925  -4.736
  133   2HE   LYS  17           HE1      LYS  17  73.918  -9.484  -4.635
  134   1HZ   LYS  17           HZ3      LYS  17  75.572  -8.601  -6.940
  135   2HZ   LYS  17           HZ2      LYS  17  76.104  -9.666  -5.726
  136   3HZ   LYS  17           HZ1      LYS  17  74.828 -10.114  -6.755
  137    H    ASN  18           HN       ASN  18  69.281 -11.712  -5.475
  138    HA   ASN  18           HA       ASN  18  67.825 -10.927  -7.755
  139   1HB   ASN  18           HB2      ASN  18  67.947 -13.267  -5.911
  140   2HB   ASN  18           HB1      ASN  18  66.579 -13.204  -7.023
  141   1HD2  ASN  18          HD22      ASN  18  69.654 -14.815  -8.626
  142   2HD2  ASN  18          HD21      ASN  18  68.931 -15.063  -7.110
  143    H    GLU  19           HN       GLU  19  66.576 -11.576  -4.459
  144    HA   GLU  19           HA       GLU  19  63.851 -10.840  -5.091
  145   1HB   GLU  19           HB2      GLU  19  65.170 -12.125  -3.076
  146   2HB   GLU  19           HB1      GLU  19  64.864 -10.561  -2.319
  147   1HG   GLU  19           HG2      GLU  19  62.932 -11.823  -1.806
  148   2HG   GLU  19           HG1      GLU  19  62.441 -10.837  -3.184
  149    H    PHE  20           HN       PHE  20  66.719  -9.057  -4.185
  150    HA   PHE  20           HA       PHE  20  65.294  -6.643  -3.338
  151   1HB   PHE  20           HB2      PHE  20  68.052  -7.666  -3.626
  152   2HB   PHE  20           HB1      PHE  20  67.889  -5.930  -3.885
  153    HD1  PHE  20           HD1      PHE  20  65.446  -7.604  -1.750
  154    HD2  PHE  20           HD2      PHE  20  69.203  -5.520  -1.800
  155    HE1  PHE  20           HE1      PHE  20  65.279  -7.246   0.696
  156    HE2  PHE  20           HE2      PHE  20  69.036  -5.164   0.648
  157    HZ   PHE  20           HZ       PHE  20  67.075  -6.026   1.897
  158    H    LYS  21           HN       LYS  21  67.053  -7.711  -6.257
  159    HA   LYS  21           HA       LYS  21  66.876  -5.292  -7.746
  160   1HB   LYS  21           HB2      LYS  21  68.275  -7.179  -8.388
  161   2HB   LYS  21           HB1      LYS  21  66.860  -8.218  -8.556
  162   1HG   LYS  21           HG2      LYS  21  66.500  -5.837 -10.141
  163   2HG   LYS  21           HG1      LYS  21  68.041  -6.592 -10.551
  164   1HD   LYS  21           HD2      LYS  21  65.955  -8.589 -10.227
  165   2HD   LYS  21           HD1      LYS  21  65.506  -7.392 -11.444
  166   1HE   LYS  21           HE2      LYS  21  66.764  -8.782 -12.799
  167   2HE   LYS  21           HE1      LYS  21  68.098  -7.808 -12.146
  168   1HZ   LYS  21           HZ2      LYS  21  68.037  -9.435 -10.207
  169   2HZ   LYS  21           HZ1      LYS  21  67.127 -10.446 -11.223
  170   3HZ   LYS  21           HZ3      LYS  21  68.702 -10.001 -11.664
  171    H    ALA  22           HN       ALA  22  64.616  -8.034  -7.460
  172    HA   ALA  22           HA       ALA  22  62.668  -6.912  -9.313
  173   1HB   ALA  22           HB1      ALA  22  63.079  -9.273  -7.613
  174   2HB   ALA  22           HB3      ALA  22  61.390  -8.776  -7.708
  175   3HB   ALA  22           HB2      ALA  22  62.284  -9.151  -9.182
  176    H    ALA  23           HN       ALA  23  62.566  -7.462  -5.765
  177    HA   ALA  23           HA       ALA  23  60.212  -6.008  -5.211
  178   1HB   ALA  23           HB1      ALA  23  62.758  -6.330  -3.584
  179   2HB   ALA  23           HB3      ALA  23  61.184  -5.882  -2.925
  180   3HB   ALA  23           HB2      ALA  23  61.419  -7.477  -3.641
  181    H    PHE  24           HN       PHE  24  63.396  -4.853  -6.049
  182    HA   PHE  24           HA       PHE  24  62.947  -2.134  -5.022
  183   1HB   PHE  24           HB2      PHE  24  65.179  -2.993  -4.999
  184   2HB   PHE  24           HB1      PHE  24  65.062  -3.533  -6.674
  185    HD1  PHE  24           HD1      PHE  24  64.687  -0.384  -4.662
  186    HD2  PHE  24           HD2      PHE  24  66.020  -2.195  -8.320
  187    HE1  PHE  24           HE1      PHE  24  65.554   1.809  -5.432
  188    HE2  PHE  24           HE2      PHE  24  66.887  -0.004  -9.091
  189    HZ   PHE  24           HZ       PHE  24  66.653   1.999  -7.647
  190    H    ASP  25           HN       ASP  25  63.418  -3.552  -8.288
  191    HA   ASP  25           HA       ASP  25  62.779  -1.237  -9.792
  192   1HB   ASP  25           HB2      ASP  25  63.757  -3.505 -10.486
  193   2HB   ASP  25           HB1      ASP  25  62.095  -4.091 -10.531
  194    H    ILE  26           HN       ILE  26  60.710  -3.399  -8.001
  195    HA   ILE  26           HA       ILE  26  58.237  -2.874  -9.392
  196    HB   ILE  26           HB       ILE  26  59.067  -3.883  -6.674
  197   1HG1  ILE  26          HG12      ILE  26  57.778  -5.079  -9.144
  198   2HG1  ILE  26          HG11      ILE  26  59.386  -5.423  -8.506
  199   1HG2  ILE  26          HG22      ILE  26  56.917  -2.649  -6.421
  200   2HG2  ILE  26          HG21      ILE  26  56.225  -3.629  -7.712
  201   3HG2  ILE  26          HG23      ILE  26  56.715  -4.387  -6.196
  202   1HD1  ILE  26          HD12      ILE  26  56.841  -5.944  -6.958
  203   2HD1  ILE  26          HD11      ILE  26  57.636  -7.165  -7.951
  204   3HD1  ILE  26          HD13      ILE  26  58.470  -6.484  -6.554
  205    H    PHE  27           HN       PHE  27  60.204  -0.837  -7.551
  206    HA   PHE  27           HA       PHE  27  57.868   0.927  -6.882
  207   1HB   PHE  27           HB2      PHE  27  60.483   0.378  -5.453
  208   2HB   PHE  27           HB1      PHE  27  59.410   1.707  -5.013
  209    HD1  PHE  27           HD2      PHE  27  59.387  -1.992  -5.605
  210    HD2  PHE  27           HD1      PHE  27  57.652   1.331  -3.510
  211    HE1  PHE  27           HE2      PHE  27  57.989  -3.556  -4.282
  212    HE2  PHE  27           HE1      PHE  27  56.253  -0.232  -2.187
  213    HZ   PHE  27           HZ       PHE  27  56.422  -2.676  -2.574
  214    H    VAL  28           HN       VAL  28  59.533   0.856  -9.369
  215    HA   VAL  28           HA       VAL  28  61.182   3.315  -9.164
  216    HB   VAL  28           HB       VAL  28  60.574   1.412 -11.452
  217   1HG1  VAL  28          HG12      VAL  28  62.465   3.735 -11.111
  218   2HG1  VAL  28          HG11      VAL  28  62.822   2.439 -12.252
  219   3HG1  VAL  28          HG13      VAL  28  61.358   3.404 -12.443
  220   1HG2  VAL  28          HG23      VAL  28  61.720   0.344  -9.520
  221   2HG2  VAL  28          HG22      VAL  28  62.770   0.441 -10.934
  222   3HG2  VAL  28          HG21      VAL  28  62.976   1.580  -9.604
  223    H    LEU  29           HN       LEU  29  58.136   3.269  -8.974
  224    HA   LEU  29           HA       LEU  29  56.968   4.303 -11.367
  225   1HB   LEU  29           HB2      LEU  29  55.250   5.141  -9.732
  226   2HB   LEU  29           HB1      LEU  29  55.683   3.449  -9.481
  227    HG   LEU  29           HG       LEU  29  57.527   5.008  -7.983
  228   1HD1  LEU  29          HD12      LEU  29  55.510   6.682  -8.310
  229   2HD1  LEU  29          HD11      LEU  29  54.744   5.673  -7.083
  230   3HD1  LEU  29          HD13      LEU  29  56.261   6.500  -6.724
  231   1HD2  LEU  29          HD21      LEU  29  55.297   3.073  -7.455
  232   2HD2  LEU  29          HD23      LEU  29  57.023   2.905  -7.127
  233   3HD2  LEU  29          HD22      LEU  29  56.022   3.920  -6.088
  234    H    GLY  30           HN       GLY  30  58.458   5.895 -12.227
  235   1HA   GLY  30           HA2      GLY  30  58.553   8.315 -12.544
  236   2HA   GLY  30           HA1      GLY  30  58.290   8.513 -10.811
  237    H    ALA  31           HN       ALA  31  60.165   9.641 -10.286
  238    HA   ALA  31           HA       ALA  31  62.416   9.839  -9.636
  239   1HB   ALA  31           HB3      ALA  31  61.806   7.251  -9.336
  240   2HB   ALA  31           HB2      ALA  31  62.951   7.080 -10.666
  241   3HB   ALA  31           HB1      ALA  31  63.464   7.827  -9.153
  242    H    GLU  32           HN       GLU  32  64.422   8.180 -11.231
  243    HA   GLU  32           HA       GLU  32  64.416   9.911 -13.678
  244   1HB   GLU  32           HB2      GLU  32  66.197  10.278 -11.966
  245   2HB   GLU  32           HB1      GLU  32  66.713   8.604 -12.182
  246   1HG   GLU  32           HG2      GLU  32  66.700   9.432 -14.766
  247   2HG   GLU  32           HG1      GLU  32  67.105  10.947 -13.957
  248    H    ASP  33           HN       ASP  33  65.792   6.769 -12.605
  249    HA   ASP  33           HA       ASP  33  64.550   5.308 -14.793
  250   1HB   ASP  33           HB2      ASP  33  66.241   6.653 -15.992
  251   2HB   ASP  33           HB1      ASP  33  67.501   6.009 -14.938
  252    H    GLY  34           HN       GLY  34  64.096   4.064 -12.768
  253   1HA   GLY  34           HA2      GLY  34  64.577   1.867 -11.879
  254   2HA   GLY  34           HA1      GLY  34  66.284   2.126 -12.240
  255    H    CYS  35           HN       CYS  35  64.138   4.393 -10.569
  256    HA   CYS  35           HA       CYS  35  65.673   3.896  -8.043
  257   1HB   CYS  35           HB2      CYS  35  64.920   6.598  -9.200
  258   2HB   CYS  35           HB1      CYS  35  65.955   6.292  -7.804
  259    HG   CYS  35           HG       CYS  35  67.582   5.020  -9.610
  260    H    ILE  36           HN       ILE  36  64.469   4.471  -6.109
  261    HA   ILE  36           HA       ILE  36  61.514   4.712  -6.574
  262    HB   ILE  36           HB       ILE  36  61.285   3.357  -4.562
  263   1HG1  ILE  36          HG12      ILE  36  64.312   3.331  -4.404
  264   2HG1  ILE  36          HG11      ILE  36  63.308   4.416  -3.441
  265   1HG2  ILE  36          HG23      ILE  36  63.000   2.488  -6.813
  266   2HG2  ILE  36          HG22      ILE  36  63.058   1.459  -5.381
  267   3HG2  ILE  36          HG21      ILE  36  61.518   1.769  -6.182
  268   1HD1  ILE  36          HD13      ILE  36  62.103   2.438  -2.524
  269   2HD1  ILE  36          HD12      ILE  36  63.197   1.386  -3.422
  270   3HD1  ILE  36          HD11      ILE  36  63.823   2.416  -2.135
  271    H    SER  37           HN       SER  37  60.370   5.791  -4.688
  272    HA   SER  37           HA       SER  37  61.851   8.233  -3.907
  273   1HB   SER  37           HB2      SER  37  59.041   7.292  -4.155
  274   2HB   SER  37           HB1      SER  37  59.342   8.520  -2.928
  275    HG   SER  37           HG       SER  37  59.172   8.801  -5.574
  276    H    THR  38           HN       THR  38  62.255   8.797  -1.735
  277    HA   THR  38           HA       THR  38  62.916   6.888   0.171
  278    HB   THR  38           HB       THR  38  62.697   8.782   1.777
  279    HG1  THR  38           HG1      THR  38  61.767  10.692   1.019
  280   1HG2  THR  38          HG21      THR  38  63.926   9.067  -0.922
  281   2HG2  THR  38          HG23      THR  38  63.872  10.507   0.095
  282   3HG2  THR  38          HG22      THR  38  64.692   9.055   0.666
  283    H    LYS  39           HN       LYS  39  59.743   8.463  -0.270
  284    HA   LYS  39           HA       LYS  39  58.443   7.290   1.997
  285   1HB   LYS  39           HB2      LYS  39  57.735   9.235   0.506
  286   2HB   LYS  39           HB1      LYS  39  57.222   8.032  -0.676
  287   1HG   LYS  39           HG2      LYS  39  55.643   7.073   0.890
  288   2HG   LYS  39           HG1      LYS  39  56.243   8.103   2.190
  289   1HD   LYS  39           HD2      LYS  39  55.420   9.599  -0.202
  290   2HD   LYS  39           HD1      LYS  39  54.102   8.706   0.558
  291   1HE   LYS  39           HE2      LYS  39  54.051  10.122   2.336
  292   2HE   LYS  39           HE1      LYS  39  55.817  10.080   2.511
  293   1HZ   LYS  39           HZ3      LYS  39  54.530  11.474   0.244
  294   2HZ   LYS  39           HZ2      LYS  39  54.766  12.261   1.731
  295   3HZ   LYS  39           HZ1      LYS  39  56.100  11.676   0.856
  296    H    GLU  40           HN       GLU  40  59.540   5.890  -0.933
  297    HA   GLU  40           HA       GLU  40  57.547   3.701  -0.930
  298   1HB   GLU  40           HB2      GLU  40  60.045   4.144  -2.596
  299   2HB   GLU  40           HB1      GLU  40  58.703   3.065  -2.979
  300   1HG   GLU  40           HG2      GLU  40  58.391   6.059  -2.633
  301   2HG   GLU  40           HG1      GLU  40  58.638   5.280  -4.196
  302    H    LEU  41           HN       LEU  41  61.001   4.215  -0.228
  303    HA   LEU  41           HA       LEU  41  62.002   1.663   0.103
  304   1HB   LEU  41           HB2      LEU  41  62.526   4.304   1.024
  305   2HB   LEU  41           HB1      LEU  41  62.666   3.237   2.421
  306    HG   LEU  41           HG       LEU  41  64.154   3.050  -0.205
  307   1HD1  LEU  41          HD12      LEU  41  65.047   4.549   1.575
  308   2HD1  LEU  41          HD11      LEU  41  65.091   3.172   2.677
  309   3HD1  LEU  41          HD13      LEU  41  66.118   3.188   1.244
  310   1HD2  LEU  41          HD23      LEU  41  63.362   0.945   1.679
  311   2HD2  LEU  41          HD22      LEU  41  64.039   0.799   0.057
  312   3HD2  LEU  41          HD21      LEU  41  65.108   1.033   1.441
  313    H    GLY  42           HN       GLY  42  60.050   3.431   2.536
  314   1HA   GLY  42           HA2      GLY  42  59.991   1.557   4.591
  315   2HA   GLY  42           HA1      GLY  42  58.603   2.568   4.185
  316    H    LYS  43           HN       LYS  43  57.424   1.725   2.090
  317    HA   LYS  43           HA       LYS  43  56.200  -0.745   2.610
  318   1HB   LYS  43           HB2      LYS  43  56.648   0.939   0.150
  319   2HB   LYS  43           HB1      LYS  43  55.750  -0.575   0.037
  320   1HG   LYS  43           HG2      LYS  43  53.995   0.206   1.334
  321   2HG   LYS  43           HG1      LYS  43  55.012   1.356   2.203
  322   1HD   LYS  43           HD2      LYS  43  54.431   2.989   0.771
  323   2HD   LYS  43           HD1      LYS  43  55.030   2.035  -0.587
  324   1HE   LYS  43           HE2      LYS  43  52.371   1.288   0.581
  325   2HE   LYS  43           HE1      LYS  43  52.463   2.718  -0.465
  326   1HZ   LYS  43           HZ1      LYS  43  53.982   1.082  -1.851
  327   2HZ   LYS  43           HZ3      LYS  43  53.001  -0.083  -1.105
  328   3HZ   LYS  43           HZ2      LYS  43  52.297   1.129  -2.063
  329    H    VAL  44           HN       VAL  44  59.243  -0.079   0.990
  330    HA   VAL  44           HA       VAL  44  59.505  -2.765  -0.155
  331    HB   VAL  44           HB       VAL  44  61.159  -0.261   0.093
  332   1HG1  VAL  44          HG11      VAL  44  62.105  -2.999  -0.783
  333   2HG1  VAL  44          HG13      VAL  44  62.904  -1.510  -1.289
  334   3HG1  VAL  44          HG12      VAL  44  62.835  -1.936   0.421
  335   1HG2  VAL  44          HG23      VAL  44  59.701  -1.787  -2.010
  336   2HG2  VAL  44          HG22      VAL  44  59.855  -0.044  -1.790
  337   3HG2  VAL  44          HG21      VAL  44  61.179  -0.962  -2.506
  338    H    MET  45           HN       MET  45  60.606  -1.057   2.747
  339    HA   MET  45           HA       MET  45  62.472  -3.136   3.579
  340   1HB   MET  45           HB2      MET  45  61.144  -0.748   4.886
  341   2HB   MET  45           HB1      MET  45  62.297  -1.772   5.743
  342   1HG   MET  45           HG2      MET  45  62.867  -0.355   3.124
  343   2HG   MET  45           HG1      MET  45  63.387   0.217   4.708
  344   1HE   MET  45           HE1      MET  45  65.271  -0.237   5.778
  345   2HE   MET  45           HE3      MET  45  66.631  -1.203   5.189
  346   3HE   MET  45           HE2      MET  45  66.043   0.165   4.246
  347    H    ARG  46           HN       ARG  46  59.045  -2.683   3.791
  348    HA   ARG  46           HA       ARG  46  58.659  -4.408   6.136
  349   1HB   ARG  46           HB2      ARG  46  56.628  -3.526   4.073
  350   2HB   ARG  46           HB1      ARG  46  56.352  -3.893   5.777
  351   1HG   ARG  46           HG2      ARG  46  58.322  -1.885   5.761
  352   2HG   ARG  46           HG1      ARG  46  57.133  -1.383   4.559
  353   1HD   ARG  46           HD2      ARG  46  55.399  -2.090   6.445
  354   2HD   ARG  46           HD1      ARG  46  56.782  -1.777   7.511
  355    HE   ARG  46           HE       ARG  46  56.948   0.483   6.366
  356   1HH1  ARG  46          HH11      ARG  46  55.032   0.246   4.194
  357   2HH1  ARG  46          HH12      ARG  46  53.571   0.902   4.856
  358   1HH2  ARG  46          HH21      ARG  46  54.634   0.643   8.147
  359   2HH2  ARG  46          HH22      ARG  46  53.347   1.127   7.093
  360    H    MET  47           HN       MET  47  58.159  -4.682   2.605
  361    HA   MET  47           HA       MET  47  57.116  -7.357   2.637
  362   1HB   MET  47           HB2      MET  47  58.511  -5.608   0.601
  363   2HB   MET  47           HB1      MET  47  57.902  -7.212   0.192
  364   1HG   MET  47           HG2      MET  47  55.720  -6.550   0.275
  365   2HG   MET  47           HG1      MET  47  55.996  -5.471   1.642
  366   1HE   MET  47           HE3      MET  47  56.713  -6.137  -2.046
  367   2HE   MET  47           HE2      MET  47  57.221  -4.581  -2.699
  368   3HE   MET  47           HE1      MET  47  58.263  -5.434  -1.562
  369    H    LEU  48           HN       LEU  48  60.368  -6.097   2.874
  370    HA   LEU  48           HA       LEU  48  61.645  -8.643   2.129
  371   1HB   LEU  48           HB2      LEU  48  62.705  -6.067   3.336
  372   2HB   LEU  48           HB1      LEU  48  63.693  -7.357   2.651
  373    HG   LEU  48           HG       LEU  48  61.566  -5.848   1.106
  374   1HD1  LEU  48          HD13      LEU  48  64.257  -5.095   1.842
  375   2HD1  LEU  48          HD12      LEU  48  64.154  -5.325   0.095
  376   3HD1  LEU  48          HD11      LEU  48  63.073  -4.187   0.901
  377   1HD2  LEU  48          HD23      LEU  48  63.576  -7.996   0.465
  378   2HD2  LEU  48          HD22      LEU  48  61.871  -7.908   0.025
  379   3HD2  LEU  48          HD21      LEU  48  63.047  -6.881  -0.794
  380    H    GLY  49           HN       GLY  49  60.439  -7.127   5.011
  381   1HA   GLY  49           HA2      GLY  49  60.107  -8.646   6.962
  382   2HA   GLY  49           HA1      GLY  49  61.714  -9.296   6.629
  383    H    GLN  50           HN       GLN  50  60.788  -5.876   6.575
  384    HA   GLN  50           HA       GLN  50  62.442  -5.442   9.034
  385   1HB   GLN  50           HB2      GLN  50  62.983  -4.746   6.276
  386   2HB   GLN  50           HB1      GLN  50  62.862  -3.284   7.256
  387   1HG   GLN  50           HG2      GLN  50  64.671  -5.665   7.744
  388   2HG   GLN  50           HG1      GLN  50  65.159  -4.019   7.338
  389   1HE2  GLN  50          HE22      GLN  50  64.607  -2.760  10.645
  390   2HE2  GLN  50          HE21      GLN  50  64.706  -2.312   9.011
  391    H    ASN  51           HN       ASN  51  61.954  -3.341  10.077
  392    HA   ASN  51           HA       ASN  51  59.444  -2.007   9.183
  393   1HB   ASN  51           HB2      ASN  51  59.832  -3.833  11.452
  394   2HB   ASN  51           HB1      ASN  51  59.110  -2.292  11.919
  395   1HD2  ASN  51          HD22      ASN  51  56.829  -5.002  10.044
  396   2HD2  ASN  51          HD21      ASN  51  58.359  -5.359  10.687
  397    HA   PRO  52           HA       PRO  52  62.789   0.711  11.037
  398   1HB   PRO  52           HB2      PRO  52  63.286   2.194   8.790
  399   2HB   PRO  52           HB1      PRO  52  64.152   0.690   9.167
  400   1HG   PRO  52           HG2      PRO  52  61.900   1.156   7.278
  401   2HG   PRO  52           HG1      PRO  52  63.315   0.104   7.113
  402   1HD   PRO  52           HD2      PRO  52  60.824  -0.798   7.779
  403   2HD   PRO  52           HD1      PRO  52  62.330  -1.616   8.253
  404    H    THR  53           HN       THR  53  62.374   2.892  11.686
  405    HA   THR  53           HA       THR  53  59.600   3.795  11.312
  406    HB   THR  53           HB       THR  53  60.774   5.687  12.826
  407    HG1  THR  53           HG1      THR  53  62.826   5.083  12.821
  408   1HG2  THR  53          HG22      THR  53  59.051   3.761  13.336
  409   2HG2  THR  53          HG21      THR  53  60.449   2.979  14.072
  410   3HG2  THR  53          HG23      THR  53  59.907   4.550  14.661
  411    HA   PRO  54           HA       PRO  54  60.422   6.764   8.183
  412   1HB   PRO  54           HB2      PRO  54  58.611   8.710   8.835
  413   2HB   PRO  54           HB1      PRO  54  58.143   7.153   8.124
  414   1HG   PRO  54           HG2      PRO  54  58.020   8.053  10.956
  415   2HG   PRO  54           HG1      PRO  54  56.885   7.052  10.038
  416   1HD   PRO  54           HD2      PRO  54  58.693   6.048  11.823
  417   2HD   PRO  54           HD1      PRO  54  58.053   5.129  10.442
  418    H    GLU  55           HN       GLU  55  60.843   7.530  11.523
  419    HA   GLU  55           HA       GLU  55  61.892  10.240  11.083
  420   1HB   GLU  55           HB2      GLU  55  61.781   8.321  13.429
  421   2HB   GLU  55           HB1      GLU  55  62.421   9.960  13.548
  422   1HG   GLU  55           HG2      GLU  55  59.804   9.843  12.228
  423   2HG   GLU  55           HG1      GLU  55  59.768   9.259  13.892
  424    H    GLU  56           HN       GLU  56  63.185   6.971  11.525
  425    HA   GLU  56           HA       GLU  56  65.956   7.852  11.807
  426   1HB   GLU  56           HB2      GLU  56  64.442   5.274  11.494
  427   2HB   GLU  56           HB1      GLU  56  66.197   5.271  11.319
  428   1HG   GLU  56           HG2      GLU  56  65.441   6.833  13.629
  429   2HG   GLU  56           HG1      GLU  56  64.727   5.224  13.729
  430    H    LEU  57           HN       LEU  57  64.282   5.968   9.246
  431    HA   LEU  57           HA       LEU  57  66.232   5.910   7.282
  432   1HB   LEU  57           HB2      LEU  57  63.242   6.349   7.172
  433   2HB   LEU  57           HB1      LEU  57  64.196   6.105   5.709
  434    HG   LEU  57           HG       LEU  57  64.615   4.175   7.943
  435   1HD1  LEU  57          HD12      LEU  57  62.043   4.597   6.518
  436   2HD1  LEU  57          HD11      LEU  57  62.611   2.929   6.608
  437   3HD1  LEU  57          HD13      LEU  57  62.352   3.853   8.088
  438   1HD2  LEU  57          HD23      LEU  57  65.728   4.271   5.584
  439   2HD2  LEU  57          HD22      LEU  57  65.163   2.711   6.181
  440   3HD2  LEU  57          HD21      LEU  57  64.197   3.608   5.010
  441    H    GLN  58           HN       GLN  58  64.176   8.674   8.154
  442    HA   GLN  58           HA       GLN  58  65.026  10.373   5.968
  443   1HB   GLN  58           HB2      GLN  58  63.643  10.701   8.628
  444   2HB   GLN  58           HB1      GLN  58  64.062  12.117   7.661
  445   1HG   GLN  58           HG2      GLN  58  62.866  10.147   5.947
  446   2HG   GLN  58           HG1      GLN  58  61.819  10.400   7.344
  447   1HE2  GLN  58          HE22      GLN  58  62.224  13.341   4.567
  448   2HE2  GLN  58          HE21      GLN  58  63.089  11.887   4.434
  449    H    GLU  59           HN       GLU  59  66.288   9.653   9.171
  450    HA   GLU  59           HA       GLU  59  68.020  11.938   9.446
  451   1HB   GLU  59           HB2      GLU  59  67.211   9.731  10.924
  452   2HB   GLU  59           HB1      GLU  59  68.924   9.417  10.642
  453   1HG   GLU  59           HG2      GLU  59  67.997  12.135  11.552
  454   2HG   GLU  59           HG1      GLU  59  68.257  10.839  12.720
  455    H    MET  60           HN       MET  60  68.128   9.303   7.297
  456    HA   MET  60           HA       MET  60  71.089   9.627   6.926
  457   1HB   MET  60           HB2      MET  60  69.336   7.337   6.005
  458   2HB   MET  60           HB1      MET  60  71.088   7.348   6.199
  459   1HG   MET  60           HG2      MET  60  70.248   8.052   8.716
  460   2HG   MET  60           HG1      MET  60  68.982   6.931   8.215
  461   1HE   MET  60           HE2      MET  60  68.916   4.901   8.292
  462   2HE   MET  60           HE1      MET  60  70.155   3.655   8.419
  463   3HE   MET  60           HE3      MET  60  69.708   4.611   9.839
  464    H    ILE  61           HN       ILE  61  68.011   9.123   5.166
  465    HA   ILE  61           HA       ILE  61  68.868   9.381   2.519
  466    HB   ILE  61           HB       ILE  61  66.415  10.358   4.000
  467   1HG1  ILE  61          HG12      ILE  61  66.344   8.188   1.974
  468   2HG1  ILE  61          HG11      ILE  61  67.238   7.830   3.453
  469   1HG2  ILE  61          HG22      ILE  61  66.784  11.683   1.904
  470   2HG2  ILE  61          HG21      ILE  61  66.782  10.172   0.996
  471   3HG2  ILE  61          HG23      ILE  61  65.329  10.690   1.850
  472   1HD1  ILE  61          HD12      ILE  61  64.997   9.032   4.464
  473   2HD1  ILE  61          HD11      ILE  61  64.337   8.205   3.053
  474   3HD1  ILE  61          HD13      ILE  61  65.193   7.287   4.291
  475    H    ASP  62           HN       ASP  62  67.987  12.043   4.751
  476    HA   ASP  62           HA       ASP  62  68.684  14.136   2.868
  477   1HB   ASP  62           HB2      ASP  62  67.183  13.967   5.088
  478   2HB   ASP  62           HB1      ASP  62  68.670  14.569   5.822
  479    H    GLU  63           HN       GLU  63  70.638  11.972   4.490
  480    HA   GLU  63           HA       GLU  63  72.901  13.942   4.577
  481   1HB   GLU  63           HB2      GLU  63  72.444  11.499   6.319
  482   2HB   GLU  63           HB1      GLU  63  73.720  12.703   6.513
  483   1HG   GLU  63           HG2      GLU  63  71.295  14.147   6.425
  484   2HG   GLU  63           HG1      GLU  63  71.005  12.774   7.493
  485    H    VAL  64           HN       VAL  64  71.670  11.122   3.157
  486    HA   VAL  64           HA       VAL  64  74.423  10.266   2.320
  487    HB   VAL  64           HB       VAL  64  72.881   8.777   3.791
  488   1HG1  VAL  64          HG11      VAL  64  71.559   8.463   1.080
  489   2HG1  VAL  64          HG13      VAL  64  71.254   7.437   2.481
  490   3HG1  VAL  64          HG12      VAL  64  70.812   9.143   2.525
  491   1HG2  VAL  64          HG23      VAL  64  74.618   8.178   1.540
  492   2HG2  VAL  64          HG22      VAL  64  74.482   7.350   3.092
  493   3HG2  VAL  64          HG21      VAL  64  73.410   6.912   1.761
  494    H    ASP  65           HN       ASP  65  71.063  10.778   1.315
  495    HA   ASP  65           HA       ASP  65  71.675  10.251  -1.521
  496   1HB   ASP  65           HB2      ASP  65  69.298  10.944   0.177
  497   2HB   ASP  65           HB1      ASP  65  69.191  11.172  -1.570
  498    H    GLU  66           HN       GLU  66  73.358  12.025  -1.612
  499    HA   GLU  66           HA       GLU  66  72.492  14.805  -1.349
  500   1HB   GLU  66           HB2      GLU  66  74.886  13.289  -1.541
  501   2HB   GLU  66           HB1      GLU  66  74.892  14.413  -2.901
  502   1HG   GLU  66           HG2      GLU  66  73.948  15.766  -0.537
  503   2HG   GLU  66           HG1      GLU  66  75.496  14.993  -0.199
  504    H    ASP  67           HN       ASP  67  72.100  12.422  -3.742
  505    HA   ASP  67           HA       ASP  67  71.593  14.536  -5.813
  506   1HB   ASP  67           HB2      ASP  67  73.665  12.998  -6.026
  507   2HB   ASP  67           HB1      ASP  67  72.509  11.712  -6.378
  508    H    GLY  68           HN       GLY  68  70.259  12.109  -3.899
  509   1HA   GLY  68           HA2      GLY  68  68.314  11.114  -5.854
  510   2HA   GLY  68           HA1      GLY  68  68.334  10.741  -4.130
  511    H    SER  69           HN       SER  69  68.498  13.640  -3.434
  512    HA   SER  69           HA       SER  69  66.928  15.289  -2.791
  513   1HB   SER  69           HB2      SER  69  67.385  15.753  -5.197
  514   2HB   SER  69           HB1      SER  69  66.038  14.706  -5.635
  515    HG   SER  69           HG       SER  69  65.115  16.656  -5.532
  516    H    GLY  70           HN       GLY  70  66.163  12.307  -2.565
  517   1HA   GLY  70           HA2      GLY  70  64.097  11.845  -1.194
  518   2HA   GLY  70           HA1      GLY  70  63.205  12.738  -2.427
  519    H    THR  71           HN       THR  71  65.802  10.706  -3.485
  520    HA   THR  71           HA       THR  71  63.979   8.432  -4.059
  521    HB   THR  71           HB       THR  71  64.368   8.637  -6.467
  522    HG1  THR  71           HG1      THR  71  65.919  10.880  -5.694
  523   1HG2  THR  71          HG21      THR  71  62.542   9.987  -5.314
  524   2HG2  THR  71          HG23      THR  71  63.623  11.376  -5.423
  525   3HG2  THR  71          HG22      THR  71  63.050  10.587  -6.893
  526    H    VAL  72           HN       VAL  72  65.138   6.564  -3.813
  527    HA   VAL  72           HA       VAL  72  68.124   6.736  -3.872
  528    HB   VAL  72           HB       VAL  72  67.736   4.436  -2.646
  529   1HG1  VAL  72          HG13      VAL  72  67.305   7.205  -1.564
  530   2HG1  VAL  72          HG12      VAL  72  67.287   5.800  -0.495
  531   3HG1  VAL  72          HG11      VAL  72  68.734   6.175  -1.436
  532   1HG2  VAL  72          HG22      VAL  72  65.174   4.747  -3.240
  533   2HG2  VAL  72          HG21      VAL  72  65.650   4.055  -1.689
  534   3HG2  VAL  72          HG23      VAL  72  65.180   5.752  -1.790
  535    H    ASP  73           HN       ASP  73  69.244   4.793  -4.702
  536    HA   ASP  73           HA       ASP  73  67.711   3.415  -6.882
  537   1HB   ASP  73           HB2      ASP  73  70.011   3.488  -8.038
  538   2HB   ASP  73           HB1      ASP  73  69.172   5.032  -7.882
  539    H    PHE  74           HN       PHE  74  69.373   1.450  -7.597
  540    HA   PHE  74           HA       PHE  74  69.372  -0.384  -5.393
  541   1HB   PHE  74           HB2      PHE  74  69.384  -0.674  -8.007
  542   2HB   PHE  74           HB1      PHE  74  71.138  -0.648  -7.818
  543    HD1  PHE  74           HD2      PHE  74  68.204  -2.168  -6.030
  544    HD2  PHE  74           HD1      PHE  74  72.144  -2.729  -7.641
  545    HE1  PHE  74           HE2      PHE  74  68.161  -4.539  -5.304
  546    HE2  PHE  74           HE1      PHE  74  72.103  -5.103  -6.917
  547    HZ   PHE  74           HZ       PHE  74  70.110  -6.006  -5.748
  548    H    ASP  75           HN       ASP  75  71.633   2.030  -6.395
  549    HA   ASP  75           HA       ASP  75  73.981   0.823  -5.128
  550   1HB   ASP  75           HB2      ASP  75  73.381   3.641  -6.091
  551   2HB   ASP  75           HB1      ASP  75  74.985   2.996  -5.733
  552    H    GLU  76           HN       GLU  76  71.692   3.461  -4.328
  553    HA   GLU  76           HA       GLU  76  72.972   3.989  -1.748
  554   1HB   GLU  76           HB2      GLU  76  70.481   4.886  -3.208
  555   2HB   GLU  76           HB1      GLU  76  70.825   5.419  -1.562
  556   1HG   GLU  76           HG2      GLU  76  72.948   5.660  -3.674
  557   2HG   GLU  76           HG1      GLU  76  71.667   6.869  -3.580
  558    H    PHE  77           HN       PHE  77  69.771   2.688  -2.736
  559    HA   PHE  77           HA       PHE  77  68.664   2.018  -0.296
  560   1HB   PHE  77           HB2      PHE  77  67.555   1.611  -2.404
  561   2HB   PHE  77           HB1      PHE  77  68.797   0.457  -2.892
  562    HD1  PHE  77           HD2      PHE  77  66.581   1.028   0.090
  563    HD2  PHE  77           HD1      PHE  77  68.198  -1.780  -2.730
  564    HE1  PHE  77           HE2      PHE  77  65.317  -0.805   1.187
  565    HE2  PHE  77           HE1      PHE  77  66.935  -3.611  -1.634
  566    HZ   PHE  77           HZ       PHE  77  65.493  -3.123   0.325
  567    H    LEU  78           HN       LEU  78  70.791  -0.206  -2.150
  568    HA   LEU  78           HA       LEU  78  71.052  -2.263  -0.280
  569   1HB   LEU  78           HB2      LEU  78  72.655  -1.074  -2.474
  570   2HB   LEU  78           HB1      LEU  78  73.540  -2.129  -1.373
  571    HG   LEU  78           HG       LEU  78  71.778  -3.874  -1.704
  572   1HD1  LEU  78          HD12      LEU  78  70.681  -1.689  -3.431
  573   2HD1  LEU  78          HD11      LEU  78  70.458  -3.358  -3.956
  574   3HD1  LEU  78          HD13      LEU  78  69.828  -2.834  -2.395
  575   1HD2  LEU  78          HD23      LEU  78  73.674  -2.877  -3.709
  576   2HD2  LEU  78          HD22      LEU  78  73.405  -4.525  -3.142
  577   3HD2  LEU  78          HD21      LEU  78  72.381  -3.850  -4.409
  578    H    VAL  79           HN       VAL  79  73.109   0.665  -0.511
  579    HA   VAL  79           HA       VAL  79  74.779   0.107   1.725
  580    HB   VAL  79           HB       VAL  79  73.794   2.750   0.602
  581   1HG1  VAL  79          HG12      VAL  79  74.961   2.880   2.815
  582   2HG1  VAL  79          HG11      VAL  79  76.354   2.084   2.084
  583   3HG1  VAL  79          HG13      VAL  79  75.850   3.676   1.517
  584   1HG2  VAL  79          HG22      VAL  79  75.168   0.713  -0.700
  585   2HG2  VAL  79          HG21      VAL  79  75.151   2.410  -1.181
  586   3HG2  VAL  79          HG23      VAL  79  76.454   1.795  -0.165
  587    H    MET  80           HN       MET  80  71.672   1.858   1.531
  588    HA   MET  80           HA       MET  80  71.547   2.723   4.244
  589   1HB   MET  80           HB2      MET  80  69.856   2.483   1.888
  590   2HB   MET  80           HB1      MET  80  68.940   2.159   3.361
  591   1HG   MET  80           HG2      MET  80  70.369   4.324   4.159
  592   2HG   MET  80           HG1      MET  80  70.202   4.677   2.438
  593   1HE   MET  80           HE2      MET  80  68.521   5.297   1.280
  594   2HE   MET  80           HE1      MET  80  66.886   5.734   1.769
  595   3HE   MET  80           HE3      MET  80  68.265   6.698   2.318
  596    H    MET  81           HN       MET  81  70.643  -0.353   2.717
  597    HA   MET  81           HA       MET  81  69.319  -1.471   5.033
  598   1HB   MET  81           HB2      MET  81  70.000  -2.147   2.320
  599   2HB   MET  81           HB1      MET  81  70.447  -3.491   3.372
  600   1HG   MET  81           HG2      MET  81  67.752  -2.131   3.552
  601   2HG   MET  81           HG1      MET  81  68.044  -3.506   2.488
  602   1HE   MET  81           HE3      MET  81  69.011  -5.409   2.957
  603   2HE   MET  81           HE2      MET  81  69.714  -5.927   4.488
  604   3HE   MET  81           HE1      MET  81  68.076  -6.421   4.066
  605    H    VAL  82           HN       VAL  82  72.651  -1.624   3.778
  606    HA   VAL  82           HA       VAL  82  73.642  -3.526   5.695
  607    HB   VAL  82           HB       VAL  82  74.798  -1.422   3.869
  608   1HG1  VAL  82          HG11      VAL  82  76.092  -2.664   6.186
  609   2HG1  VAL  82          HG13      VAL  82  76.948  -2.981   4.677
  610   3HG1  VAL  82          HG12      VAL  82  76.639  -1.320   5.183
  611   1HG2  VAL  82          HG22      VAL  82  73.984  -4.088   3.578
  612   2HG2  VAL  82          HG21      VAL  82  74.950  -3.158   2.433
  613   3HG2  VAL  82          HG23      VAL  82  75.744  -4.166   3.643
  614    H    ARG  83           HN       ARG  83  73.298   0.003   5.734
  615    HA   ARG  83           HA       ARG  83  74.905   0.552   8.037
  616   1HB   ARG  83           HB2      ARG  83  73.760   2.064   6.236
  617   2HB   ARG  83           HB1      ARG  83  72.371   2.021   7.323
  618   1HG   ARG  83           HG2      ARG  83  73.580   3.935   8.011
  619   2HG   ARG  83           HG1      ARG  83  74.040   2.693   9.176
  620   1HD   ARG  83           HD2      ARG  83  75.823   2.458   6.962
  621   2HD   ARG  83           HD1      ARG  83  75.756   4.172   7.417
  622    HE   ARG  83           HE       ARG  83  75.883   2.488   9.763
  623   1HH1  ARG  83          HH21      ARG  83  77.386   5.102   8.843
  624   2HH1  ARG  83          HH22      ARG  83  79.022   4.546   8.982
  625   1HH2  ARG  83          HH11      ARG  83  78.143   1.200   9.229
  626   2HH2  ARG  83          HH12      ARG  83  79.449   2.337   9.201
  627    H    CYS  84           HN       CYS  84  71.349   0.118   7.780
  628    HA   CYS  84           HA       CYS  84  70.759   0.231  10.551
  629   1HB   CYS  84           HB2      CYS  84  69.085   0.319   8.778
  630   2HB   CYS  84           HB1      CYS  84  69.505  -1.314   8.258
  631    HG   CYS  84           HG       CYS  84  68.705  -2.004  10.816
  632    H    MET  85           HN       MET  85  70.402  -2.855   8.845
  633    HA   MET  85           HA       MET  85  70.805  -5.051   9.662
  634   1HB   MET  85           HB2      MET  85  73.316  -3.412   9.905
  635   2HB   MET  85           HB1      MET  85  73.329  -5.103  10.405
  636   1HG   MET  85           HG2      MET  85  72.086  -5.361   8.024
  637   2HG   MET  85           HG1      MET  85  73.067  -3.936   7.683
  638   1HE   MET  85           HE3      MET  85  73.547  -5.814   5.890
  639   2HE   MET  85           HE2      MET  85  75.004  -4.834   6.029
  640   3HE   MET  85           HE1      MET  85  75.136  -6.588   5.948
  641    H    LYS  86           HN       LYS  86  69.345  -3.648  11.584
  642    HA   LYS  86           HA       LYS  86  70.664  -3.613  14.175
  643   1HB   LYS  86           HB2      LYS  86  68.701  -2.228  13.466
  644   2HB   LYS  86           HB1      LYS  86  67.723  -3.697  13.430
  645   1HG   LYS  86           HG2      LYS  86  67.372  -3.532  15.644
  646   2HG   LYS  86           HG1      LYS  86  69.110  -3.604  15.932
  647   1HD   LYS  86           HD2      LYS  86  69.268  -1.364  16.260
  648   2HD   LYS  86           HD1      LYS  86  68.184  -1.003  14.916
  649   1HE   LYS  86           HE2      LYS  86  67.003  -2.231  17.385
  650   2HE   LYS  86           HE1      LYS  86  67.414  -0.504  17.408
  651   1HZ   LYS  86           HZ2      LYS  86  66.314  -0.577  15.057
  652   2HZ   LYS  86           HZ1      LYS  86  65.514  -1.938  15.686
  653   3HZ   LYS  86           HZ3      LYS  86  65.348  -0.431  16.447
  654    H    ASP  87           HN       ASP  87  70.770  -5.272  15.679
  655    HA   ASP  87           HA       ASP  87  69.231  -7.779  15.109
  656   1HB   ASP  87           HB2      ASP  87  71.890  -7.430  14.595
  657   2HB   ASP  87           HB1      ASP  87  71.953  -8.024  16.254
  658    H    ASP  88           HN       ASP  88  68.692  -8.990  17.016
  659    HA   ASP  88           HA       ASP  88  69.158  -7.537  19.603
  660   1HB   ASP  88           HB2      ASP  88  66.747  -8.644  18.246
  661   2HB   ASP  88           HB1      ASP  88  66.825  -8.839  19.998
  662    H    SER  89           HN       SER  89  70.931  -8.919  20.195
  663    HA   SER  89           HA       SER  89  70.589 -11.842  20.178
  664   1HB   SER  89           HB2      SER  89  72.881 -11.827  20.827
  665   2HB   SER  89           HB1      SER  89  72.711 -10.439  19.755
  666    HG   SER  89           HG       SER  89  73.354 -10.541  22.391
   
  No H/Q in entry =         666
  Start of MODEL   30
    1   1H    MET   1           HT3      MET   1  91.279   4.323   0.585
    2   2H    MET   1           HT2      MET   1  90.744   5.220  -0.756
    3   3H    MET   1           HT1      MET   1  91.620   5.981   0.485
    4    HA   MET   1           HA       MET   1  89.822   5.687   2.036
    5   1HB   MET   1           HB2      MET   1  89.786   7.668   0.671
    6   2HB   MET   1           HB1      MET   1  89.162   6.774  -0.714
    7   1HG   MET   1           HG2      MET   1  87.569   6.716   1.813
    8   2HG   MET   1           HG1      MET   1  87.541   8.196   0.853
    9   1HE   MET   1           HE3      MET   1  86.129   8.718  -0.428
   10   2HE   MET   1           HE2      MET   1  85.270   7.853  -1.699
   11   3HE   MET   1           HE1      MET   1  84.660   7.811  -0.047
   12    H    ASP   2           HN       ASP   2  88.164   4.344   2.682
   13    HA   ASP   2           HA       ASP   2  86.449   2.988   0.707
   14   1HB   ASP   2           HB2      ASP   2  88.867   1.830   1.705
   15   2HB   ASP   2           HB1      ASP   2  87.512   0.934   2.393
   16    H    ASP   3           HN       ASP   3  84.455   3.146   1.645
   17    HA   ASP   3           HA       ASP   3  84.183   3.457   4.564
   18   1HB   ASP   3           HB2      ASP   3  82.211   3.382   2.254
   19   2HB   ASP   3           HB1      ASP   3  81.800   3.824   3.912
   20    H    ILE   4           HN       ILE   4  81.808   2.163   5.099
   21    HA   ILE   4           HA       ILE   4  82.636  -0.693   4.977
   22    HB   ILE   4           HB       ILE   4  81.249  -0.931   6.902
   23   1HG1  ILE   4          HG12      ILE   4  79.864   1.335   7.449
   24   2HG1  ILE   4          HG11      ILE   4  79.826   1.375   5.685
   25   1HG2  ILE   4          HG21      ILE   4  83.317   0.614   7.081
   26   2HG2  ILE   4          HG23      ILE   4  82.152   1.936   7.169
   27   3HG2  ILE   4          HG22      ILE   4  82.142   0.668   8.396
   28   1HD1  ILE   4          HD11      ILE   4  79.231  -1.225   7.031
   29   2HD1  ILE   4          HD13      ILE   4  77.991   0.028   7.078
   30   3HD1  ILE   4          HD12      ILE   4  78.585  -0.568   5.528
   31    H    TYR   5           HN       TYR   5  80.234   1.509   3.732
   32    HA   TYR   5           HA       TYR   5  78.107  -0.275   3.116
   33   1HB   TYR   5           HB2      TYR   5  79.110   2.060   1.460
   34   2HB   TYR   5           HB1      TYR   5  77.451   1.477   1.584
   35    HD1  TYR   5           HD1      TYR   5  77.815   0.905   4.685
   36    HD2  TYR   5           HD2      TYR   5  78.430   4.336   2.175
   37    HE1  TYR   5           HE1      TYR   5  77.435   2.395   6.630
   38    HE2  TYR   5           HE2      TYR   5  78.050   5.826   4.121
   39    HH   TYR   5           HH       TYR   5  76.887   5.716   6.322
   40    H    LYS   6           HN       LYS   6  81.138   0.425   1.399
   41    HA   LYS   6           HA       LYS   6  80.622  -0.885  -1.057
   42   1HB   LYS   6           HB2      LYS   6  82.588   0.539  -0.434
   43   2HB   LYS   6           HB1      LYS   6  83.192  -0.790   0.557
   44   1HG   LYS   6           HG2      LYS   6  83.642  -2.146  -1.298
   45   2HG   LYS   6           HG1      LYS   6  82.520  -1.264  -2.335
   46   1HD   LYS   6           HD2      LYS   6  84.033   0.718  -2.224
   47   2HD   LYS   6           HD1      LYS   6  85.178  -0.246  -1.292
   48   1HE   LYS   6           HE2      LYS   6  84.215  -0.896  -4.103
   49   2HE   LYS   6           HE1      LYS   6  85.817  -0.264  -3.674
   50   1HZ   LYS   6           HZ3      LYS   6  85.716  -2.252  -1.982
   51   2HZ   LYS   6           HZ2      LYS   6  84.657  -2.902  -3.139
   52   3HZ   LYS   6           HZ1      LYS   6  86.246  -2.490  -3.575
   53    H    ALA   7           HN       ALA   7  82.047  -2.223   1.946
   54    HA   ALA   7           HA       ALA   7  82.224  -4.931   0.961
   55   1HB   ALA   7           HB1      ALA   7  82.958  -3.396   3.218
   56   2HB   ALA   7           HB3      ALA   7  81.939  -4.697   3.833
   57   3HB   ALA   7           HB2      ALA   7  83.384  -5.076   2.896
   58    H    ALA   8           HN       ALA   8  79.671  -3.044   2.461
   59    HA   ALA   8           HA       ALA   8  77.978  -5.030   3.509
   60   1HB   ALA   8           HB1      ALA   8  77.777  -2.479   3.487
   61   2HB   ALA   8           HB3      ALA   8  77.095  -2.640   1.868
   62   3HB   ALA   8           HB2      ALA   8  76.268  -3.363   3.248
   63    H    VAL   9           HN       VAL   9  77.779  -3.661   0.196
   64    HA   VAL   9           HA       VAL   9  75.967  -5.693  -0.764
   65    HB   VAL   9           HB       VAL   9  77.864  -3.803  -2.197
   66   1HG1  VAL   9          HG11      VAL   9  75.819  -5.736  -3.105
   67   2HG1  VAL   9          HG13      VAL   9  75.685  -4.126  -3.812
   68   3HG1  VAL   9          HG12      VAL   9  77.183  -5.043  -3.984
   69   1HG2  VAL   9          HG22      VAL   9  75.485  -3.366  -0.630
   70   2HG2  VAL   9          HG21      VAL   9  76.489  -2.177  -1.459
   71   3HG2  VAL   9          HG23      VAL   9  75.157  -2.957  -2.313
   72    H    GLU  10           HN       GLU  10  79.382  -5.635  -0.258
   73    HA   GLU  10           HA       GLU  10  80.099  -7.597  -2.293
   74   1HB   GLU  10           HB2      GLU  10  81.389  -5.765  -0.698
   75   2HB   GLU  10           HB1      GLU  10  81.793  -7.284   0.106
   76   1HG   GLU  10           HG2      GLU  10  83.472  -7.306  -1.456
   77   2HG   GLU  10           HG1      GLU  10  82.207  -8.022  -2.457
   78    H    GLN  11           HN       GLN  11  79.062  -7.696   1.076
   79    HA   GLN  11           HA       GLN  11  79.825 -10.454   1.563
   80   1HB   GLN  11           HB2      GLN  11  77.954  -8.449   2.847
   81   2HB   GLN  11           HB1      GLN  11  78.184 -10.071   3.503
   82   1HG   GLN  11           HG2      GLN  11  80.643  -9.633   3.605
   83   2HG   GLN  11           HG1      GLN  11  80.335  -7.977   3.084
   84   1HE2  GLN  11          HE22      GLN  11  80.134  -7.217   6.545
   85   2HE2  GLN  11          HE21      GLN  11  81.035  -7.033   5.117
   86    H    LEU  12           HN       LEU  12  76.954  -8.846   0.276
   87    HA   LEU  12           HA       LEU  12  75.231 -11.188   0.422
   88   1HB   LEU  12           HB2      LEU  12  75.102  -8.638  -1.223
   89   2HB   LEU  12           HB1      LEU  12  73.757  -9.746  -0.948
   90    HG   LEU  12           HG       LEU  12  75.269  -8.366   1.284
   91   1HD1  LEU  12          HD11      LEU  12  73.807  -6.976  -0.464
   92   2HD1  LEU  12          HD13      LEU  12  72.482  -7.609   0.514
   93   3HD1  LEU  12          HD12      LEU  12  73.743  -6.630   1.265
   94   1HD2  LEU  12          HD23      LEU  12  73.328 -10.488   1.155
   95   2HD2  LEU  12          HD22      LEU  12  74.099  -9.792   2.579
   96   3HD2  LEU  12          HD21      LEU  12  72.605  -9.094   1.956
   97    H    THR  13           HN       THR  13  74.813 -12.692  -1.221
   98    HA   THR  13           HA       THR  13  76.807 -12.829  -3.410
   99    HB   THR  13           HB       THR  13  75.272 -15.053  -3.626
  100    HG1  THR  13           HG1      THR  13  74.279 -15.504  -1.788
  101   1HG2  THR  13          HG21      THR  13  77.711 -14.932  -3.159
  102   2HG2  THR  13          HG23      THR  13  77.348 -14.595  -1.466
  103   3HG2  THR  13          HG22      THR  13  76.903 -16.149  -2.171
  104    H    GLU  14           HN       GLU  14  75.932 -13.502  -5.617
  105    HA   GLU  14           HA       GLU  14  74.229 -11.583  -6.754
  106   1HB   GLU  14           HB2      GLU  14  75.811 -13.490  -7.697
  107   2HB   GLU  14           HB1      GLU  14  74.301 -14.398  -7.798
  108   1HG   GLU  14           HG2      GLU  14  73.335 -12.858  -9.304
  109   2HG   GLU  14           HG1      GLU  14  74.508 -11.601  -8.907
  110    H    GLU  15           HN       GLU  15  73.395 -14.412  -4.904
  111    HA   GLU  15           HA       GLU  15  70.677 -14.715  -5.878
  112   1HB   GLU  15           HB2      GLU  15  72.467 -15.778  -3.780
  113   2HB   GLU  15           HB1      GLU  15  70.755 -15.802  -3.358
  114   1HG   GLU  15           HG2      GLU  15  70.223 -17.308  -5.014
  115   2HG   GLU  15           HG1      GLU  15  71.493 -16.728  -6.093
  116    H    GLN  16           HN       GLN  16  72.216 -12.849  -3.289
  117    HA   GLN  16           HA       GLN  16  69.688 -12.035  -2.066
  118   1HB   GLN  16           HB2      GLN  16  72.565 -11.805  -1.644
  119   2HB   GLN  16           HB1      GLN  16  71.736 -10.286  -1.303
  120   1HG   GLN  16           HG2      GLN  16  70.533 -12.817  -0.255
  121   2HG   GLN  16           HG1      GLN  16  71.953 -12.165   0.564
  122   1HE2  GLN  16          HE22      GLN  16  69.009 -10.564   2.164
  123   2HE2  GLN  16          HE21      GLN  16  69.646 -12.134   2.061
  124    H    LYS  17           HN       LYS  17  72.012 -10.629  -4.359
  125    HA   LYS  17           HA       LYS  17  70.899  -7.993  -4.478
  126   1HB   LYS  17           HB2      LYS  17  72.289  -9.637  -6.621
  127   2HB   LYS  17           HB1      LYS  17  72.198  -7.876  -6.556
  128   1HG   LYS  17           HG2      LYS  17  73.196  -8.866  -4.044
  129   2HG   LYS  17           HG1      LYS  17  74.153  -9.546  -5.359
  130   1HD   LYS  17           HD2      LYS  17  73.472  -6.615  -5.342
  131   2HD   LYS  17           HD1      LYS  17  74.834  -7.218  -4.398
  132   1HE   LYS  17           HE2      LYS  17  75.819  -8.219  -6.432
  133   2HE   LYS  17           HE1      LYS  17  74.448  -7.619  -7.388
  134   1HZ   LYS  17           HZ3      LYS  17  75.734  -5.678  -5.652
  135   2HZ   LYS  17           HZ2      LYS  17  76.667  -6.199  -6.972
  136   3HZ   LYS  17           HZ1      LYS  17  75.143  -5.494  -7.231
  137    H    ASN  18           HN       ASN  18  69.925 -11.041  -5.918
  138    HA   ASN  18           HA       ASN  18  68.166  -9.857  -7.927
  139   1HB   ASN  18           HB2      ASN  18  68.786 -12.577  -6.808
  140   2HB   ASN  18           HB1      ASN  18  67.371 -12.372  -7.841
  141   1HD2  ASN  18          HD22      ASN  18  70.325 -13.149 -10.021
  142   2HD2  ASN  18          HD21      ASN  18  69.554 -13.952  -8.739
  143    H    GLU  19           HN       GLU  19  67.600 -11.632  -4.856
  144    HA   GLU  19           HA       GLU  19  64.790 -11.406  -4.761
  145   1HB   GLU  19           HB2      GLU  19  66.489 -12.652  -3.265
  146   2HB   GLU  19           HB1      GLU  19  66.624 -11.136  -2.372
  147   1HG   GLU  19           HG2      GLU  19  64.414 -11.222  -1.625
  148   2HG   GLU  19           HG1      GLU  19  63.904 -12.273  -2.948
  149    H    PHE  20           HN       PHE  20  67.288  -9.048  -3.869
  150    HA   PHE  20           HA       PHE  20  65.425  -7.148  -2.682
  151   1HB   PHE  20           HB2      PHE  20  68.271  -7.503  -3.152
  152   2HB   PHE  20           HB1      PHE  20  67.779  -5.846  -3.508
  153    HD1  PHE  20           HD1      PHE  20  65.856  -5.009  -1.705
  154    HD2  PHE  20           HD2      PHE  20  69.011  -7.830  -0.972
  155    HE1  PHE  20           HE1      PHE  20  65.726  -4.522   0.723
  156    HE2  PHE  20           HE2      PHE  20  68.882  -7.343   1.456
  157    HZ   PHE  20           HZ       PHE  20  67.240  -5.690   2.304
  158    H    LYS  21           HN       LYS  21  67.006  -7.510  -5.858
  159    HA   LYS  21           HA       LYS  21  66.116  -5.064  -7.028
  160   1HB   LYS  21           HB2      LYS  21  67.809  -6.300  -8.124
  161   2HB   LYS  21           HB1      LYS  21  66.894  -7.804  -8.029
  162   1HG   LYS  21           HG2      LYS  21  65.381  -7.116  -9.728
  163   2HG   LYS  21           HG1      LYS  21  65.908  -5.436  -9.625
  164   1HD   LYS  21           HD2      LYS  21  68.269  -6.567 -10.225
  165   2HD   LYS  21           HD1      LYS  21  67.201  -7.748 -10.986
  166   1HE   LYS  21           HE2      LYS  21  66.096  -5.952 -12.266
  167   2HE   LYS  21           HE1      LYS  21  67.148  -4.750 -11.492
  168   1HZ   LYS  21           HZ2      LYS  21  68.964  -6.493 -12.268
  169   2HZ   LYS  21           HZ1      LYS  21  67.808  -6.787 -13.477
  170   3HZ   LYS  21           HZ3      LYS  21  68.444  -5.229 -13.276
  171    H    ALA  22           HN       ALA  22  64.566  -8.254  -6.763
  172    HA   ALA  22           HA       ALA  22  62.319  -7.709  -8.465
  173   1HB   ALA  22           HB1      ALA  22  63.180  -9.929  -7.612
  174   2HB   ALA  22           HB3      ALA  22  62.493  -9.522  -6.039
  175   3HB   ALA  22           HB2      ALA  22  61.437  -9.721  -7.438
  176    H    ALA  23           HN       ALA  23  63.170  -6.404  -5.443
  177    HA   ALA  23           HA       ALA  23  60.315  -5.737  -4.810
  178   1HB   ALA  23           HB3      ALA  23  61.792  -7.028  -3.178
  179   2HB   ALA  23           HB2      ALA  23  62.758  -5.561  -3.026
  180   3HB   ALA  23           HB1      ALA  23  61.065  -5.557  -2.530
  181    H    PHE  24           HN       PHE  24  63.469  -4.435  -5.591
  182    HA   PHE  24           HA       PHE  24  62.834  -1.689  -4.795
  183   1HB   PHE  24           HB2      PHE  24  65.113  -2.518  -4.741
  184   2HB   PHE  24           HB1      PHE  24  65.024  -2.995  -6.437
  185    HD1  PHE  24           HD1      PHE  24  64.952  -1.287  -8.228
  186    HD2  PHE  24           HD2      PHE  24  65.440  -0.209  -4.099
  187    HE1  PHE  24           HE1      PHE  24  65.697   0.979  -8.908
  188    HE2  PHE  24           HE2      PHE  24  66.187   2.055  -4.778
  189    HZ   PHE  24           HZ       PHE  24  66.315   2.651  -7.183
  190    H    ASP  25           HN       ASP  25  63.149  -3.440  -7.903
  191    HA   ASP  25           HA       ASP  25  62.513  -1.232  -9.604
  192   1HB   ASP  25           HB2      ASP  25  63.551  -3.442 -10.211
  193   2HB   ASP  25           HB1      ASP  25  61.967  -4.190 -10.004
  194    H    ILE  26           HN       ILE  26  60.482  -3.487  -7.799
  195    HA   ILE  26           HA       ILE  26  58.000  -3.024  -9.134
  196    HB   ILE  26           HB       ILE  26  58.686  -3.685  -6.255
  197   1HG1  ILE  26          HG12      ILE  26  58.193  -5.317  -8.756
  198   2HG1  ILE  26          HG11      ILE  26  59.593  -5.364  -7.684
  199   1HG2  ILE  26          HG21      ILE  26  56.340  -2.826  -6.628
  200   2HG2  ILE  26          HG23      ILE  26  56.089  -4.163  -7.749
  201   3HG2  ILE  26          HG22      ILE  26  56.412  -4.490  -6.046
  202   1HD1  ILE  26          HD12      ILE  26  57.891  -6.080  -5.856
  203   2HD1  ILE  26          HD11      ILE  26  56.825  -6.450  -7.210
  204   3HD1  ILE  26          HD13      ILE  26  58.375  -7.276  -7.057
  205    H    PHE  27           HN       PHE  27  59.910  -0.917  -7.222
  206    HA   PHE  27           HA       PHE  27  57.606   0.985  -7.015
  207   1HB   PHE  27           HB2      PHE  27  59.686   0.260  -4.930
  208   2HB   PHE  27           HB1      PHE  27  58.546   1.596  -4.764
  209    HD1  PHE  27           HD2      PHE  27  58.811  -2.093  -5.163
  210    HD2  PHE  27           HD1      PHE  27  56.275   1.220  -4.142
  211    HE1  PHE  27           HE2      PHE  27  57.081  -3.670  -4.344
  212    HE2  PHE  27           HE1      PHE  27  54.544  -0.357  -3.324
  213    HZ   PHE  27           HZ       PHE  27  54.948  -2.802  -3.425
  214    H    VAL  28           HN       VAL  28  59.751   0.865  -9.010
  215    HA   VAL  28           HA       VAL  28  61.543   3.102  -8.253
  216    HB   VAL  28           HB       VAL  28  62.224   0.892  -9.377
  217   1HG1  VAL  28          HG13      VAL  28  60.244   1.146 -11.029
  218   2HG1  VAL  28          HG12      VAL  28  61.296   2.266 -11.893
  219   3HG1  VAL  28          HG11      VAL  28  61.788   0.587 -11.675
  220   1HG2  VAL  28          HG21      VAL  28  62.937   3.610 -10.493
  221   2HG2  VAL  28          HG23      VAL  28  63.833   2.652  -9.315
  222   3HG2  VAL  28          HG22      VAL  28  63.769   2.141 -11.002
  223    H    LEU  29           HN       LEU  29  58.625   2.556  -9.821
  224    HA   LEU  29           HA       LEU  29  57.333   3.829 -11.369
  225   1HB   LEU  29           HB2      LEU  29  58.594   6.056  -9.752
  226   2HB   LEU  29           HB1      LEU  29  56.960   5.998 -10.416
  227    HG   LEU  29           HG       LEU  29  57.286   3.679  -8.803
  228   1HD1  LEU  29          HD11      LEU  29  59.177   4.963  -7.762
  229   2HD1  LEU  29          HD13      LEU  29  58.025   6.228  -7.335
  230   3HD1  LEU  29          HD12      LEU  29  57.862   4.615  -6.639
  231   1HD2  LEU  29          HD23      LEU  29  55.686   6.220  -8.749
  232   2HD2  LEU  29          HD22      LEU  29  55.133   4.559  -8.960
  233   3HD2  LEU  29          HD21      LEU  29  55.611   5.132  -7.363
  234    H    GLY  30           HN       GLY  30  59.784   3.171 -12.597
  235   1HA   GLY  30           HA2      GLY  30  61.229   3.871 -14.310
  236   2HA   GLY  30           HA1      GLY  30  59.979   5.061 -14.683
  237    H    ALA  31           HN       ALA  31  60.137   7.164 -13.702
  238    HA   ALA  31           HA       ALA  31  61.292   9.044 -12.906
  239   1HB   ALA  31           HB1      ALA  31  61.263   7.474 -10.914
  240   2HB   ALA  31           HB3      ALA  31  62.869   6.935 -11.402
  241   3HB   ALA  31           HB2      ALA  31  62.610   8.612 -10.923
  242    H    GLU  32           HN       GLU  32  64.203   8.598 -12.091
  243    HA   GLU  32           HA       GLU  32  65.431   9.387 -14.565
  244   1HB   GLU  32           HB2      GLU  32  66.083   9.016 -11.764
  245   2HB   GLU  32           HB1      GLU  32  67.395   8.426 -12.785
  246   1HG   GLU  32           HG2      GLU  32  66.802  10.741 -14.069
  247   2HG   GLU  32           HG1      GLU  32  66.388  11.189 -12.415
  248    H    ASP  33           HN       ASP  33  66.343   6.508 -12.635
  249    HA   ASP  33           HA       ASP  33  65.925   4.602 -14.747
  250   1HB   ASP  33           HB2      ASP  33  68.125   6.377 -15.037
  251   2HB   ASP  33           HB1      ASP  33  68.795   4.793 -14.647
  252    H    GLY  34           HN       GLY  34  65.200   3.737 -12.545
  253   1HA   GLY  34           HA2      GLY  34  65.685   1.802 -11.190
  254   2HA   GLY  34           HA1      GLY  34  67.406   2.119 -11.401
  255    H    CYS  35           HN       CYS  35  64.869   4.391 -10.358
  256    HA   CYS  35           HA       CYS  35  66.160   4.484  -7.659
  257   1HB   CYS  35           HB2      CYS  35  66.038   6.980  -7.846
  258   2HB   CYS  35           HB1      CYS  35  67.114   6.258  -9.044
  259    HG   CYS  35           HG       CYS  35  65.314   6.629 -10.868
  260    H    ILE  36           HN       ILE  36  64.597   4.324  -6.098
  261    HA   ILE  36           HA       ILE  36  61.757   4.771  -6.879
  262    HB   ILE  36           HB       ILE  36  61.297   3.418  -4.908
  263   1HG1  ILE  36          HG12      ILE  36  64.277   3.623  -4.360
  264   2HG1  ILE  36          HG11      ILE  36  63.017   4.454  -3.447
  265   1HG2  ILE  36          HG21      ILE  36  62.983   2.590  -7.069
  266   2HG2  ILE  36          HG23      ILE  36  63.496   1.740  -5.611
  267   3HG2  ILE  36          HG22      ILE  36  61.822   1.624  -6.158
  268   1HD1  ILE  36          HD12      ILE  36  62.487   1.592  -3.706
  269   2HD1  ILE  36          HD11      ILE  36  64.018   1.918  -2.894
  270   3HD1  ILE  36          HD13      ILE  36  62.520   2.598  -2.258
  271    H    SER  37           HN       SER  37  60.380   5.781  -5.061
  272    HA   SER  37           HA       SER  37  61.656   8.314  -4.230
  273   1HB   SER  37           HB2      SER  37  58.898   7.166  -4.475
  274   2HB   SER  37           HB1      SER  37  59.134   8.564  -3.432
  275    HG   SER  37           HG       SER  37  58.649   9.000  -5.710
  276    H    THR  38           HN       THR  38  62.226   8.764  -2.122
  277    HA   THR  38           HA       THR  38  62.650   6.859  -0.139
  278    HB   THR  38           HB       THR  38  62.680   8.825   1.385
  279    HG1  THR  38           HG1      THR  38  61.369   9.997  -0.827
  280   1HG2  THR  38          HG22      THR  38  64.084   8.552  -1.114
  281   2HG2  THR  38          HG21      THR  38  63.877  10.262  -0.738
  282   3HG2  THR  38          HG23      THR  38  64.674   9.196   0.418
  283    H    LYS  39           HN       LYS  39  59.663   8.651  -0.817
  284    HA   LYS  39           HA       LYS  39  58.222   7.895   1.548
  285   1HB   LYS  39           HB2      LYS  39  57.802   9.659  -0.348
  286   2HB   LYS  39           HB1      LYS  39  56.970   8.328  -1.155
  287   1HG   LYS  39           HG2      LYS  39  55.239   9.323   0.069
  288   2HG   LYS  39           HG1      LYS  39  55.760   8.025   1.143
  289   1HD   LYS  39           HD2      LYS  39  55.779   9.788   2.639
  290   2HD   LYS  39           HD1      LYS  39  57.427   9.907   2.024
  291   1HE   LYS  39           HE2      LYS  39  56.995  11.847   0.869
  292   2HE   LYS  39           HE1      LYS  39  55.336  11.357   0.471
  293   1HZ   LYS  39           HZ2      LYS  39  56.257  12.059   3.207
  294   2HZ   LYS  39           HZ1      LYS  39  55.450  13.140   2.173
  295   3HZ   LYS  39           HZ3      LYS  39  54.662  11.741   2.718
  296    H    GLU  40           HN       GLU  40  58.984   6.185  -1.404
  297    HA   GLU  40           HA       GLU  40  56.915   4.119  -0.946
  298   1HB   GLU  40           HB2      GLU  40  59.155   4.367  -2.982
  299   2HB   GLU  40           HB1      GLU  40  57.794   3.248  -3.072
  300   1HG   GLU  40           HG2      GLU  40  57.310   6.207  -2.815
  301   2HG   GLU  40           HG1      GLU  40  57.650   5.494  -4.392
  302    H    LEU  41           HN       LEU  41  60.418   4.545  -0.629
  303    HA   LEU  41           HA       LEU  41  61.388   1.973  -0.322
  304   1HB   LEU  41           HB2      LEU  41  62.353   4.426   0.076
  305   2HB   LEU  41           HB1      LEU  41  62.057   4.015   1.765
  306    HG   LEU  41           HG       LEU  41  63.669   2.327  -0.171
  307   1HD1  LEU  41          HD11      LEU  41  64.365   4.669   1.326
  308   2HD1  LEU  41          HD13      LEU  41  65.187   3.284   2.044
  309   3HD1  LEU  41          HD12      LEU  41  65.413   3.654   0.334
  310   1HD2  LEU  41          HD23      LEU  41  62.859   2.056   2.717
  311   2HD2  LEU  41          HD22      LEU  41  62.811   0.844   1.438
  312   3HD2  LEU  41          HD21      LEU  41  64.356   1.321   2.144
  313    H    GLY  42           HN       GLY  42  59.398   3.787   1.990
  314   1HA   GLY  42           HA2      GLY  42  59.592   2.232   4.285
  315   2HA   GLY  42           HA1      GLY  42  58.077   2.972   3.763
  316    H    LYS  43           HN       LYS  43  57.091   1.675   1.774
  317    HA   LYS  43           HA       LYS  43  56.267  -0.875   2.709
  318   1HB   LYS  43           HB2      LYS  43  56.058   0.805   0.298
  319   2HB   LYS  43           HB1      LYS  43  55.895  -0.921  -0.024
  320   1HG   LYS  43           HG2      LYS  43  54.037  -1.136   1.417
  321   2HG   LYS  43           HG1      LYS  43  54.382   0.389   2.232
  322   1HD   LYS  43           HD2      LYS  43  53.900   1.580   0.073
  323   2HD   LYS  43           HD1      LYS  43  53.389   0.035  -0.609
  324   1HE   LYS  43           HE2      LYS  43  51.766  -0.135   1.381
  325   2HE   LYS  43           HE1      LYS  43  52.108   1.586   1.653
  326   1HZ   LYS  43           HZ2      LYS  43  51.309   0.453  -0.973
  327   2HZ   LYS  43           HZ1      LYS  43  50.215   1.169   0.111
  328   3HZ   LYS  43           HZ3      LYS  43  51.463   2.096  -0.569
  329    H    VAL  44           HN       VAL  44  58.995   0.069   0.673
  330    HA   VAL  44           HA       VAL  44  59.633  -2.578  -0.297
  331    HB   VAL  44           HB       VAL  44  61.051   0.073  -0.021
  332   1HG1  VAL  44          HG13      VAL  44  62.247  -2.556  -0.385
  333   2HG1  VAL  44          HG12      VAL  44  62.551  -1.510  -1.772
  334   3HG1  VAL  44          HG11      VAL  44  63.034  -0.995  -0.156
  335   1HG2  VAL  44          HG21      VAL  44  59.580  -1.443  -2.102
  336   2HG2  VAL  44          HG23      VAL  44  59.738   0.299  -1.880
  337   3HG2  VAL  44          HG22      VAL  44  61.034  -0.613  -2.655
  338    H    MET  45           HN       MET  45  60.475  -0.742   2.604
  339    HA   MET  45           HA       MET  45  62.592  -2.545   3.466
  340   1HB   MET  45           HB2      MET  45  60.983  -0.273   4.605
  341   2HB   MET  45           HB1      MET  45  62.015  -1.227   5.673
  342   1HG   MET  45           HG2      MET  45  63.233  -0.327   3.114
  343   2HG   MET  45           HG1      MET  45  62.925   0.921   4.321
  344   1HE   MET  45           HE3      MET  45  64.993   1.529   4.260
  345   2HE   MET  45           HE2      MET  45  66.068   1.107   5.590
  346   3HE   MET  45           HE1      MET  45  66.356   0.435   3.988
  347    H    ARG  46           HN       ARG  46  59.232  -1.988   4.605
  348    HA   ARG  46           HA       ARG  46  59.228  -4.236   6.416
  349   1HB   ARG  46           HB2      ARG  46  56.928  -3.647   6.688
  350   2HB   ARG  46           HB1      ARG  46  57.757  -2.129   6.342
  351   1HG   ARG  46           HG2      ARG  46  57.174  -2.502   3.894
  352   2HG   ARG  46           HG1      ARG  46  56.126  -3.816   4.430
  353   1HD   ARG  46           HD2      ARG  46  55.835  -1.154   5.781
  354   2HD   ARG  46           HD1      ARG  46  55.147  -1.359   4.157
  355    HE   ARG  46           HE       ARG  46  54.294  -3.633   5.392
  356   1HH1  ARG  46          HH21      ARG  46  53.584  -0.338   5.515
  357   2HH1  ARG  46          HH22      ARG  46  52.491  -0.450   6.855
  358   1HH2  ARG  46          HH11      ARG  46  53.191  -3.787   7.489
  359   2HH2  ARG  46          HH12      ARG  46  52.270  -2.402   7.972
  360    H    MET  47           HN       MET  47  58.938  -3.997   2.996
  361    HA   MET  47           HA       MET  47  57.217  -6.232   2.455
  362   1HB   MET  47           HB2      MET  47  59.042  -4.405   1.078
  363   2HB   MET  47           HB1      MET  47  59.049  -6.019   0.367
  364   1HG   MET  47           HG2      MET  47  56.433  -4.702   1.047
  365   2HG   MET  47           HG1      MET  47  57.269  -4.273  -0.446
  366   1HE   MET  47           HE3      MET  47  58.340  -6.068  -1.962
  367   2HE   MET  47           HE2      MET  47  57.196  -7.197  -2.684
  368   3HE   MET  47           HE1      MET  47  56.799  -5.483  -2.605
  369    H    LEU  48           HN       LEU  48  60.662  -5.967   3.190
  370    HA   LEU  48           HA       LEU  48  61.115  -8.835   2.591
  371   1HB   LEU  48           HB2      LEU  48  62.737  -6.398   3.238
  372   2HB   LEU  48           HB1      LEU  48  63.458  -7.985   3.514
  373    HG   LEU  48           HG       LEU  48  62.143  -8.000   0.963
  374   1HD1  LEU  48          HD13      LEU  48  62.574  -5.480   1.250
  375   2HD1  LEU  48          HD12      LEU  48  64.289  -5.882   1.157
  376   3HD1  LEU  48          HD11      LEU  48  63.225  -6.236  -0.205
  377   1HD2  LEU  48          HD23      LEU  48  64.125  -9.354   1.883
  378   2HD2  LEU  48          HD22      LEU  48  64.269  -8.784   0.220
  379   3HD2  LEU  48          HD21      LEU  48  65.116  -7.942   1.517
  380    H    GLY  49           HN       GLY  49  60.564  -6.710   5.318
  381   1HA   GLY  49           HA2      GLY  49  59.670  -8.090   7.306
  382   2HA   GLY  49           HA1      GLY  49  61.201  -8.956   7.183
  383    H    GLN  50           HN       GLN  50  62.806  -6.625   6.556
  384    HA   GLN  50           HA       GLN  50  63.602  -5.774   9.127
  385   1HB   GLN  50           HB2      GLN  50  64.128  -5.196   6.334
  386   2HB   GLN  50           HB1      GLN  50  64.207  -3.718   7.294
  387   1HG   GLN  50           HG2      GLN  50  65.728  -6.290   7.805
  388   2HG   GLN  50           HG1      GLN  50  66.408  -4.747   7.286
  389   1HE2  GLN  50          HE22      GLN  50  65.501  -3.271  10.599
  390   2HE2  GLN  50          HE21      GLN  50  65.092  -2.938   8.985
  391    H    ASN  51           HN       ASN  51  62.753  -4.285  10.536
  392    HA   ASN  51           HA       ASN  51  60.676  -2.384   9.491
  393   1HB   ASN  51           HB2      ASN  51  60.789  -4.295  11.762
  394   2HB   ASN  51           HB1      ASN  51  60.051  -2.731  12.113
  395   1HD2  ASN  51          HD22      ASN  51  58.171  -5.324   9.563
  396   2HD2  ASN  51          HD21      ASN  51  59.777  -5.612  10.033
  397    HA   PRO  52           HA       PRO  52  64.133  -0.029  11.467
  398   1HB   PRO  52           HB2      PRO  52  64.353   1.838   9.480
  399   2HB   PRO  52           HB1      PRO  52  65.215   0.287   9.450
  400   1HG   PRO  52           HG2      PRO  52  62.754   1.113   8.004
  401   2HG   PRO  52           HG1      PRO  52  64.084   0.074   7.471
  402   1HD   PRO  52           HD2      PRO  52  61.650  -0.858   8.327
  403   2HD   PRO  52           HD1      PRO  52  63.157  -1.797   8.388
  404    H    THR  53           HN       THR  53  64.093   2.624  11.550
  405    HA   THR  53           HA       THR  53  61.353   3.291  12.496
  406    HB   THR  53           HB       THR  53  64.172   4.217  12.994
  407    HG1  THR  53           HG1      THR  53  63.609   3.699  15.064
  408   1HG2  THR  53          HG23      THR  53  61.802   5.910  12.987
  409   2HG2  THR  53          HG22      THR  53  62.554   5.837  14.580
  410   3HG2  THR  53          HG21      THR  53  63.496   6.356  13.182
  411    HA   PRO  54           HA       PRO  54  60.711   5.906   9.003
  412   1HB   PRO  54           HB2      PRO  54  58.763   7.515  10.061
  413   2HB   PRO  54           HB1      PRO  54  58.463   5.843   9.544
  414   1HG   PRO  54           HG2      PRO  54  58.918   6.924  12.283
  415   2HG   PRO  54           HG1      PRO  54  57.783   5.679  11.735
  416   1HD   PRO  54           HD2      PRO  54  60.128   5.099  12.977
  417   2HD   PRO  54           HD1      PRO  54  59.371   4.022  11.783
  418    H    GLU  55           HN       GLU  55  60.603   7.725  12.102
  419    HA   GLU  55           HA       GLU  55  61.514  10.210  11.104
  420   1HB   GLU  55           HB2      GLU  55  61.116   8.838  13.631
  421   2HB   GLU  55           HB1      GLU  55  62.539   9.878  13.707
  422   1HG   GLU  55           HG2      GLU  55  59.859  10.810  12.650
  423   2HG   GLU  55           HG1      GLU  55  60.368  11.022  14.326
  424    H    GLU  56           HN       GLU  56  63.245   7.247  11.532
  425    HA   GLU  56           HA       GLU  56  65.898   8.534  11.677
  426   1HB   GLU  56           HB2      GLU  56  64.701   5.805  11.829
  427   2HB   GLU  56           HB1      GLU  56  66.387   5.911  11.322
  428   1HG   GLU  56           HG2      GLU  56  66.909   7.243  13.337
  429   2HG   GLU  56           HG1      GLU  56  65.225   7.121  13.850
  430    H    LEU  57           HN       LEU  57  64.319   6.231   9.419
  431    HA   LEU  57           HA       LEU  57  66.135   6.183   7.335
  432   1HB   LEU  57           HB2      LEU  57  63.264   5.866   7.731
  433   2HB   LEU  57           HB1      LEU  57  63.633   6.444   6.106
  434    HG   LEU  57           HG       LEU  57  65.448   4.590   6.086
  435   1HD1  LEU  57          HD12      LEU  57  64.596   4.282   8.702
  436   2HD1  LEU  57          HD11      LEU  57  63.759   2.977   7.862
  437   3HD1  LEU  57          HD13      LEU  57  65.517   3.092   7.784
  438   1HD2  LEU  57          HD22      LEU  57  62.538   4.475   5.670
  439   2HD2  LEU  57          HD21      LEU  57  63.845   3.960   4.605
  440   3HD2  LEU  57          HD23      LEU  57  63.280   2.891   5.889
  441    H    GLN  58           HN       GLN  58  63.632   8.697   7.837
  442    HA   GLN  58           HA       GLN  58  64.416  10.295   5.563
  443   1HB   GLN  58           HB2      GLN  58  62.222  10.218   6.913
  444   2HB   GLN  58           HB1      GLN  58  63.048  11.239   8.090
  445   1HG   GLN  58           HG2      GLN  58  61.897  12.734   6.622
  446   2HG   GLN  58           HG1      GLN  58  63.596  12.804   6.151
  447   1HE2  GLN  58          HE22      GLN  58  61.946  12.365   2.933
  448   2HE2  GLN  58          HE21      GLN  58  62.302  13.587   4.055
  449    H    GLU  59           HN       GLU  59  65.713   9.903   8.749
  450    HA   GLU  59           HA       GLU  59  67.011  12.526   8.892
  451   1HB   GLU  59           HB2      GLU  59  66.216  10.958  10.782
  452   2HB   GLU  59           HB1      GLU  59  67.671  10.020  10.450
  453   1HG   GLU  59           HG2      GLU  59  68.961  11.503  11.549
  454   2HG   GLU  59           HG1      GLU  59  68.292  12.847  10.623
  455    H    MET  60           HN       MET  60  67.640   9.612   7.240
  456    HA   MET  60           HA       MET  60  70.577  10.183   7.112
  457   1HB   MET  60           HB2      MET  60  69.010   7.854   7.493
  458   2HB   MET  60           HB1      MET  60  69.729   7.707   5.889
  459   1HG   MET  60           HG2      MET  60  71.949   8.344   6.955
  460   2HG   MET  60           HG1      MET  60  71.161   8.140   8.520
  461   1HE   MET  60           HE1      MET  60  70.097   6.086   9.381
  462   2HE   MET  60           HE3      MET  60  69.104   5.787   7.948
  463   3HE   MET  60           HE2      MET  60  70.086   4.493   8.630
  464    H    ILE  61           HN       ILE  61  67.643   9.764   5.182
  465    HA   ILE  61           HA       ILE  61  68.779   9.655   2.583
  466    HB   ILE  61           HB       ILE  61  66.208  10.721   3.761
  467   1HG1  ILE  61          HG12      ILE  61  66.553   8.412   1.859
  468   2HG1  ILE  61          HG11      ILE  61  66.922   8.207   3.573
  469   1HG2  ILE  61          HG22      ILE  61  66.684  11.994   1.694
  470   2HG2  ILE  61          HG21      ILE  61  66.918  10.480   0.821
  471   3HG2  ILE  61          HG23      ILE  61  65.328  10.891   1.465
  472   1HD1  ILE  61          HD11      ILE  61  64.499   9.519   3.652
  473   2HD1  ILE  61          HD13      ILE  61  64.316   8.476   2.241
  474   3HD1  ILE  61          HD12      ILE  61  64.709   7.775   3.810
  475    H    ASP  62           HN       ASP  62  68.767  12.228   4.868
  476    HA   ASP  62           HA       ASP  62  68.716  14.515   3.153
  477   1HB   ASP  62           HB2      ASP  62  69.885  13.839   5.852
  478   2HB   ASP  62           HB1      ASP  62  70.095  15.446   5.155
  479    H    GLU  63           HN       GLU  63  71.615  13.049   4.685
  480    HA   GLU  63           HA       GLU  63  73.351  14.308   2.667
  481   1HB   GLU  63           HB2      GLU  63  75.118  13.399   4.101
  482   2HB   GLU  63           HB1      GLU  63  73.877  14.151   5.105
  483   1HG   GLU  63           HG2      GLU  63  73.121  11.431   4.652
  484   2HG   GLU  63           HG1      GLU  63  74.803  11.452   5.186
  485    H    VAL  64           HN       VAL  64  71.433  11.662   2.508
  486    HA   VAL  64           HA       VAL  64  73.445   9.909   1.168
  487    HB   VAL  64           HB       VAL  64  70.584   9.495   2.095
  488   1HG1  VAL  64          HG12      VAL  64  72.585   7.600   0.833
  489   2HG1  VAL  64          HG11      VAL  64  71.119   7.069   1.657
  490   3HG1  VAL  64          HG13      VAL  64  71.003   8.053   0.198
  491   1HG2  VAL  64          HG22      VAL  64  72.595   9.743   3.752
  492   2HG2  VAL  64          HG21      VAL  64  71.488   8.385   3.957
  493   3HG2  VAL  64          HG23      VAL  64  73.049   8.141   3.172
  494    H    ASP  65           HN       ASP  65  70.252  11.423   0.616
  495    HA   ASP  65           HA       ASP  65  70.223  10.626  -2.211
  496   1HB   ASP  65           HB2      ASP  65  68.443  11.651  -0.177
  497   2HB   ASP  65           HB1      ASP  65  68.295  12.620  -1.643
  498    H    GLU  66           HN       GLU  66  72.507  11.885  -2.248
  499    HA   GLU  66           HA       GLU  66  72.487  14.764  -2.344
  500   1HB   GLU  66           HB2      GLU  66  74.263  12.505  -2.832
  501   2HB   GLU  66           HB1      GLU  66  74.536  13.803  -3.995
  502   1HG   GLU  66           HG2      GLU  66  75.840  14.672  -2.338
  503   2HG   GLU  66           HG1      GLU  66  74.298  15.238  -1.694
  504    H    ASP  67           HN       ASP  67  72.925  12.515  -5.104
  505    HA   ASP  67           HA       ASP  67  72.005  14.565  -6.991
  506   1HB   ASP  67           HB2      ASP  67  73.304  11.918  -6.981
  507   2HB   ASP  67           HB1      ASP  67  72.227  12.179  -8.353
  508    H    GLY  68           HN       GLY  68  70.779  11.474  -5.704
  509   1HA   GLY  68           HA2      GLY  68  68.490  11.181  -7.319
  510   2HA   GLY  68           HA1      GLY  68  68.588  10.629  -5.646
  511    H    SER  69           HN       SER  69  68.867  13.045  -4.298
  512    HA   SER  69           HA       SER  69  67.628  14.906  -3.522
  513   1HB   SER  69           HB2      SER  69  67.595  14.923  -6.349
  514   2HB   SER  69           HB1      SER  69  65.940  15.258  -5.846
  515    HG   SER  69           HG       SER  69  68.196  16.545  -4.713
  516    H    GLY  70           HN       GLY  70  66.681  12.450  -2.700
  517   1HA   GLY  70           HA2      GLY  70  64.594  12.072  -1.472
  518   2HA   GLY  70           HA1      GLY  70  63.730  12.882  -2.780
  519    H    THR  71           HN       THR  71  66.190  10.775  -3.862
  520    HA   THR  71           HA       THR  71  64.293   8.488  -4.144
  521    HB   THR  71           HB       THR  71  64.595   8.479  -6.537
  522    HG1  THR  71           HG1      THR  71  66.016   9.929  -7.515
  523   1HG2  THR  71          HG22      THR  71  64.189  11.323  -5.570
  524   2HG2  THR  71          HG21      THR  71  63.729  10.710  -7.158
  525   3HG2  THR  71          HG23      THR  71  62.936  10.090  -5.710
  526    H    VAL  72           HN       VAL  72  65.359   6.565  -3.849
  527    HA   VAL  72           HA       VAL  72  68.344   6.633  -3.749
  528    HB   VAL  72           HB       VAL  72  67.812   4.364  -2.523
  529   1HG1  VAL  72          HG12      VAL  72  67.539   7.181  -1.577
  530   2HG1  VAL  72          HG11      VAL  72  67.162   5.879  -0.448
  531   3HG1  VAL  72          HG13      VAL  72  68.765   5.974  -1.180
  532   1HG2  VAL  72          HG21      VAL  72  65.296   4.762  -3.276
  533   2HG2  VAL  72          HG23      VAL  72  65.662   4.048  -1.705
  534   3HG2  VAL  72          HG22      VAL  72  65.252   5.760  -1.822
  535    H    ASP  73           HN       ASP  73  69.548   5.042  -4.832
  536    HA   ASP  73           HA       ASP  73  68.063   3.554  -6.964
  537   1HB   ASP  73           HB2      ASP  73  70.179   5.358  -7.042
  538   2HB   ASP  73           HB1      ASP  73  70.982   3.792  -7.166
  539    H    PHE  74           HN       PHE  74  70.026   1.685  -7.588
  540    HA   PHE  74           HA       PHE  74  69.681  -0.295  -5.523
  541   1HB   PHE  74           HB2      PHE  74  70.182  -0.311  -8.164
  542   2HB   PHE  74           HB1      PHE  74  71.834  -0.511  -7.581
  543    HD1  PHE  74           HD2      PHE  74  68.483  -1.760  -6.439
  544    HD2  PHE  74           HD1      PHE  74  72.495  -2.733  -7.613
  545    HE1  PHE  74           HE2      PHE  74  68.032  -4.157  -5.983
  546    HE2  PHE  74           HE1      PHE  74  72.047  -5.132  -7.158
  547    HZ   PHE  74           HZ       PHE  74  69.816  -5.843  -6.343
  548    H    ASP  75           HN       ASP  75  72.150   2.087  -6.180
  549    HA   ASP  75           HA       ASP  75  74.188   0.811  -4.500
  550   1HB   ASP  75           HB2      ASP  75  75.491   2.733  -5.140
  551   2HB   ASP  75           HB1      ASP  75  74.539   2.272  -6.552
  552    H    GLU  76           HN       GLU  76  71.758   3.378  -4.131
  553    HA   GLU  76           HA       GLU  76  72.792   4.224  -1.519
  554   1HB   GLU  76           HB2      GLU  76  70.170   4.777  -2.948
  555   2HB   GLU  76           HB1      GLU  76  70.832   5.703  -1.600
  556   1HG   GLU  76           HG2      GLU  76  72.706   6.436  -2.926
  557   2HG   GLU  76           HG1      GLU  76  72.274   5.341  -4.239
  558    H    PHE  77           HN       PHE  77  69.802   2.584  -2.637
  559    HA   PHE  77           HA       PHE  77  68.640   2.039  -0.137
  560   1HB   PHE  77           HB2      PHE  77  67.615   1.673  -2.353
  561   2HB   PHE  77           HB1      PHE  77  68.735   0.344  -2.654
  562    HD1  PHE  77           HD2      PHE  77  67.034   1.197   0.551
  563    HD2  PHE  77           HD1      PHE  77  67.283  -1.532  -2.758
  564    HE1  PHE  77           HE2      PHE  77  65.500  -0.362   1.720
  565    HE2  PHE  77           HE1      PHE  77  65.749  -3.090  -1.588
  566    HZ   PHE  77           HZ       PHE  77  64.858  -2.506   0.651
  567    H    LEU  78           HN       LEU  78  70.628  -0.298  -2.007
  568    HA   LEU  78           HA       LEU  78  70.908  -2.348  -0.191
  569   1HB   LEU  78           HB2      LEU  78  72.686  -1.044  -2.207
  570   2HB   LEU  78           HB1      LEU  78  73.402  -2.274  -1.164
  571    HG   LEU  78           HG       LEU  78  70.830  -2.708  -2.699
  572   1HD1  LEU  78          HD11      LEU  78  73.203  -2.312  -3.938
  573   2HD1  LEU  78          HD13      LEU  78  73.348  -4.028  -3.559
  574   3HD1  LEU  78          HD12      LEU  78  71.993  -3.451  -4.528
  575   1HD2  LEU  78          HD22      LEU  78  72.680  -4.376  -1.017
  576   2HD2  LEU  78          HD21      LEU  78  70.918  -4.312  -1.002
  577   3HD2  LEU  78          HD23      LEU  78  71.758  -5.145  -2.309
  578    H    VAL  79           HN       VAL  79  73.053   0.533  -0.256
  579    HA   VAL  79           HA       VAL  79  74.548  -0.103   2.079
  580    HB   VAL  79           HB       VAL  79  73.728   2.555   0.860
  581   1HG1  VAL  79          HG13      VAL  79  75.524   1.814   3.111
  582   2HG1  VAL  79          HG12      VAL  79  76.155   3.001   1.970
  583   3HG1  VAL  79          HG11      VAL  79  74.643   3.313   2.822
  584   1HG2  VAL  79          HG23      VAL  79  76.097   0.710   0.440
  585   2HG2  VAL  79          HG22      VAL  79  74.883   1.172  -0.752
  586   3HG2  VAL  79          HG21      VAL  79  76.036   2.367  -0.160
  587    H    MET  80           HN       MET  80  71.723   2.085   1.758
  588    HA   MET  80           HA       MET  80  71.388   2.696   4.501
  589   1HB   MET  80           HB2      MET  80  69.809   2.698   1.999
  590   2HB   MET  80           HB1      MET  80  68.849   2.680   3.479
  591   1HG   MET  80           HG2      MET  80  70.819   4.539   4.049
  592   2HG   MET  80           HG1      MET  80  70.481   4.835   2.343
  593   1HE   MET  80           HE2      MET  80  69.041   6.038   1.496
  594   2HE   MET  80           HE1      MET  80  67.538   5.120   1.546
  595   3HE   MET  80           HE3      MET  80  67.582   6.785   2.141
  596    H    MET  81           HN       MET  81  70.577  -0.207   2.704
  597    HA   MET  81           HA       MET  81  68.745  -1.298   4.692
  598   1HB   MET  81           HB2      MET  81  69.743  -1.865   2.060
  599   2HB   MET  81           HB1      MET  81  69.932  -3.310   3.055
  600   1HG   MET  81           HG2      MET  81  67.363  -1.717   2.822
  601   2HG   MET  81           HG1      MET  81  67.705  -3.195   1.923
  602   1HE   MET  81           HE1      MET  81  65.670  -4.214   2.654
  603   2HE   MET  81           HE3      MET  81  65.217  -4.709   4.291
  604   3HE   MET  81           HE2      MET  81  65.089  -3.019   3.811
  605    H    VAL  82           HN       VAL  82  72.066  -2.227   3.693
  606    HA   VAL  82           HA       VAL  82  72.588  -4.122   5.708
  607    HB   VAL  82           HB       VAL  82  74.976  -3.485   5.241
  608   1HG1  VAL  82          HG13      VAL  82  73.029  -4.518   3.496
  609   2HG1  VAL  82          HG12      VAL  82  73.951  -3.368   2.529
  610   3HG1  VAL  82          HG11      VAL  82  74.777  -4.693   3.349
  611   1HG2  VAL  82          HG21      VAL  82  74.294  -0.993   5.030
  612   2HG2  VAL  82          HG23      VAL  82  75.503  -1.605   3.900
  613   3HG2  VAL  82          HG22      VAL  82  73.830  -1.403   3.378
  614    H    ARG  83           HN       ARG  83  72.597  -0.600   5.888
  615    HA   ARG  83           HA       ARG  83  74.076  -0.216   8.280
  616   1HB   ARG  83           HB2      ARG  83  73.220   1.500   6.647
  617   2HB   ARG  83           HB1      ARG  83  71.609   1.270   7.326
  618   1HG   ARG  83           HG2      ARG  83  72.243   2.971   8.712
  619   2HG   ARG  83           HG1      ARG  83  73.033   1.668   9.603
  620   1HD   ARG  83           HD2      ARG  83  75.013   2.148   7.885
  621   2HD   ARG  83           HD1      ARG  83  74.248   3.749   7.822
  622    HE   ARG  83           HE       ARG  83  74.378   3.703  10.373
  623   1HH1  ARG  83          HH11      ARG  83  75.398   1.585  11.583
  624   2HH1  ARG  83          HH12      ARG  83  77.115   1.566  11.356
  625   1HH2  ARG  83          HH21      ARG  83  77.054   3.781   8.690
  626   2HH2  ARG  83          HH22      ARG  83  78.052   2.809   9.718
  627    H    CYS  84           HN       CYS  84  70.500  -0.106   8.084
  628    HA   CYS  84           HA       CYS  84  69.962  -0.372  10.827
  629   1HB   CYS  84           HB2      CYS  84  67.745  -1.000  10.077
  630   2HB   CYS  84           HB1      CYS  84  68.397   0.147   8.908
  631    HG   CYS  84           HG       CYS  84  67.816  -2.817   8.367
  632    H    MET  85           HN       MET  85  70.653  -2.903   8.435
  633    HA   MET  85           HA       MET  85  69.948  -5.176  10.013
  634   1HB   MET  85           HB2      MET  85  71.721  -4.543   7.686
  635   2HB   MET  85           HB1      MET  85  71.893  -6.125   8.447
  636   1HG   MET  85           HG2      MET  85  69.139  -5.796   8.247
  637   2HG   MET  85           HG1      MET  85  69.748  -5.115   6.738
  638   1HE   MET  85           HE3      MET  85  69.714  -6.035   5.064
  639   2HE   MET  85           HE2      MET  85  70.959  -7.208   4.643
  640   3HE   MET  85           HE1      MET  85  69.277  -7.720   4.750
  641    H    LYS  86           HN       LYS  86  70.738  -5.143  12.143
  642    HA   LYS  86           HA       LYS  86  73.724  -5.054  12.442
  643   1HB   LYS  86           HB2      LYS  86  73.314  -3.978  14.595
  644   2HB   LYS  86           HB1      LYS  86  72.440  -3.094  13.343
  645   1HG   LYS  86           HG2      LYS  86  70.362  -4.180  13.933
  646   2HG   LYS  86           HG1      LYS  86  71.191  -5.262  15.050
  647   1HD   LYS  86           HD2      LYS  86  70.674  -3.730  16.639
  648   2HD   LYS  86           HD1      LYS  86  71.985  -2.775  15.942
  649   1HE   LYS  86           HE2      LYS  86  70.538  -1.338  14.850
  650   2HE   LYS  86           HE1      LYS  86  69.293  -2.586  14.641
  651   1HZ   LYS  86           HZ3      LYS  86  69.021  -2.566  17.095
  652   2HZ   LYS  86           HZ2      LYS  86  70.052  -1.216  17.165
  653   3HZ   LYS  86           HZ1      LYS  86  68.563  -1.111  16.353
  654    H    ASP  87           HN       ASP  87  71.536  -7.289  12.165
  655    HA   ASP  87           HA       ASP  87  71.724  -8.695  14.739
  656   1HB   ASP  87           HB2      ASP  87  70.350 -10.345  13.562
  657   2HB   ASP  87           HB1      ASP  87  69.742  -8.727  13.209
  658    H    ASP  88           HN       ASP  88  72.438 -11.127  14.539
  659    HA   ASP  88           HA       ASP  88  74.909 -11.311  12.847
  660   1HB   ASP  88           HB2      ASP  88  75.451 -10.744  15.173
  661   2HB   ASP  88           HB1      ASP  88  74.479 -12.100  15.747
  662    H    SER  89           HN       SER  89  72.353 -13.046  14.611
  663    HA   SER  89           HA       SER  89  72.933 -15.710  14.026
  664   1HB   SER  89           HB2      SER  89  71.048 -15.199  15.363
  665   2HB   SER  89           HB1      SER  89  70.388 -14.093  14.160
  666    HG   SER  89           HG       SER  89  69.330 -16.157  14.228
   
  No H/Q in entry =         666
  Start of MODEL   31
    1   1H    MET   1           HT3      MET   1  90.164   8.414   1.478
    2   2H    MET   1           HT2      MET   1  90.628   8.707  -0.131
    3   3H    MET   1           HT1      MET   1  88.982   8.596   0.276
    4    HA   MET   1           HA       MET   1  89.496   6.533  -0.719
    5   1HB   MET   1           HB2      MET   1  91.963   7.102  -0.491
    6   2HB   MET   1           HB1      MET   1  91.880   6.465   1.151
    7   1HG   MET   1           HG2      MET   1  91.827   4.311   0.438
    8   2HG   MET   1           HG1      MET   1  90.708   4.681  -0.874
    9   1HE   MET   1           HE1      MET   1  91.819   2.910  -2.044
   10   2HE   MET   1           HE3      MET   1  93.331   3.025  -2.954
   11   3HE   MET   1           HE2      MET   1  93.358   2.596  -1.246
   12    H    ASP   2           HN       ASP   2  88.151   7.573   1.821
   13    HA   ASP   2           HA       ASP   2  88.266   5.151   3.553
   14   1HB   ASP   2           HB2      ASP   2  87.406   8.008   3.774
   15   2HB   ASP   2           HB1      ASP   2  86.625   6.832   4.834
   16    H    ASP   3           HN       ASP   3  86.534   3.732   3.669
   17    HA   ASP   3           HA       ASP   3  83.846   4.460   2.789
   18   1HB   ASP   3           HB2      ASP   3  83.872   2.906   0.840
   19   2HB   ASP   3           HB1      ASP   3  85.017   4.233   0.641
   20    H    ILE   4           HN       ILE   4  82.553   3.251   4.115
   21    HA   ILE   4           HA       ILE   4  83.571   0.582   5.035
   22    HB   ILE   4           HB       ILE   4  82.458   1.048   7.101
   23   1HG1  ILE   4          HG12      ILE   4  81.206   3.495   6.942
   24   2HG1  ILE   4          HG11      ILE   4  80.832   2.792   5.368
   25   1HG2  ILE   4          HG21      ILE   4  84.541   2.378   6.656
   26   2HG2  ILE   4          HG23      ILE   4  83.520   3.710   6.118
   27   3HG2  ILE   4          HG22      ILE   4  83.441   3.159   7.791
   28   1HD1  ILE   4          HD11      ILE   4  80.546   0.796   7.440
   29   2HD1  ILE   4          HD13      ILE   4  79.576   2.218   7.828
   30   3HD1  ILE   4          HD12      ILE   4  79.341   1.382   6.293
   31    H    TYR   5           HN       TYR   5  81.114   2.215   3.277
   32    HA   TYR   5           HA       TYR   5  79.025   0.188   3.672
   33   1HB   TYR   5           HB2      TYR   5  79.348   2.483   1.710
   34   2HB   TYR   5           HB1      TYR   5  77.851   1.599   2.010
   35    HD1  TYR   5           HD2      TYR   5  77.046   1.494   4.500
   36    HD2  TYR   5           HD1      TYR   5  79.841   4.385   2.989
   37    HE1  TYR   5           HE2      TYR   5  76.549   2.980   6.422
   38    HE2  TYR   5           HE1      TYR   5  79.343   5.871   4.911
   39    HH   TYR   5           HH       TYR   5  78.469   5.584   7.275
   40    H    LYS   6           HN       LYS   6  81.495   0.961   1.248
   41    HA   LYS   6           HA       LYS   6  80.712  -0.535  -0.960
   42   1HB   LYS   6           HB2      LYS   6  83.226   0.299   0.342
   43   2HB   LYS   6           HB1      LYS   6  83.399  -1.075  -0.752
   44   1HG   LYS   6           HG2      LYS   6  81.750   1.209  -1.716
   45   2HG   LYS   6           HG1      LYS   6  83.493   1.466  -1.624
   46   1HD   LYS   6           HD2      LYS   6  83.680   0.378  -3.586
   47   2HD   LYS   6           HD1      LYS   6  83.182  -1.093  -2.749
   48   1HE   LYS   6           HE2      LYS   6  81.657  -0.787  -4.606
   49   2HE   LYS   6           HE1      LYS   6  80.764  -0.343  -3.138
   50   1HZ   LYS   6           HZ2      LYS   6  82.367   1.673  -4.573
   51   2HZ   LYS   6           HZ1      LYS   6  80.796   1.305  -5.107
   52   3HZ   LYS   6           HZ3      LYS   6  81.038   1.902  -3.539
   53    H    ALA   7           HN       ALA   7  82.070  -1.742   2.094
   54    HA   ALA   7           HA       ALA   7  82.279  -4.504   1.179
   55   1HB   ALA   7           HB2      ALA   7  83.192  -2.913   3.285
   56   2HB   ALA   7           HB1      ALA   7  82.092  -4.053   4.059
   57   3HB   ALA   7           HB3      ALA   7  83.455  -4.648   3.111
   58    H    ALA   8           HN       ALA   8  79.626  -2.596   1.842
   59    HA   ALA   8           HA       ALA   8  78.016  -4.543   3.330
   60   1HB   ALA   8           HB1      ALA   8  77.976  -1.866   3.041
   61   2HB   ALA   8           HB3      ALA   8  76.823  -2.291   1.776
   62   3HB   ALA   8           HB2      ALA   8  76.524  -2.783   3.444
   63    H    VAL   9           HN       VAL   9  78.254  -3.408  -0.043
   64    HA   VAL   9           HA       VAL   9  76.129  -5.211  -0.963
   65    HB   VAL   9           HB       VAL   9  78.163  -3.416  -2.320
   66   1HG1  VAL   9          HG13      VAL   9  75.934  -5.124  -3.438
   67   2HG1  VAL   9          HG12      VAL   9  76.542  -3.707  -4.296
   68   3HG1  VAL   9          HG11      VAL   9  77.621  -5.058  -3.951
   69   1HG2  VAL   9          HG21      VAL   9  75.363  -3.132  -1.321
   70   2HG2  VAL   9          HG23      VAL   9  76.669  -1.948  -1.351
   71   3HG2  VAL   9          HG22      VAL   9  75.773  -2.309  -2.826
   72    H    GLU  10           HN       GLU  10  79.651  -5.212  -0.794
   73    HA   GLU  10           HA       GLU  10  80.157  -7.358  -2.632
   74   1HB   GLU  10           HB2      GLU  10  81.948  -5.952  -1.947
   75   2HB   GLU  10           HB1      GLU  10  81.569  -6.169  -0.238
   76   1HG   GLU  10           HG2      GLU  10  82.664  -8.167  -0.111
   77   2HG   GLU  10           HG1      GLU  10  82.171  -8.655  -1.733
   78    H    GLN  11           HN       GLN  11  79.135  -7.282   0.739
   79    HA   GLN  11           HA       GLN  11  79.736 -10.038   1.366
   80   1HB   GLN  11           HB2      GLN  11  78.398  -7.698   2.512
   81   2HB   GLN  11           HB1      GLN  11  77.608  -9.211   2.960
   82   1HG   GLN  11           HG2      GLN  11  79.693 -10.115   3.809
   83   2HG   GLN  11           HG1      GLN  11  80.586  -8.711   3.222
   84   1HE2  GLN  11          HE22      GLN  11  79.323  -6.540   5.819
   85   2HE2  GLN  11          HE21      GLN  11  79.814  -6.529   4.194
   86    H    LEU  12           HN       LEU  12  76.927  -8.387  -0.034
   87    HA   LEU  12           HA       LEU  12  75.172 -10.706   0.084
   88   1HB   LEU  12           HB2      LEU  12  75.071  -8.220  -1.655
   89   2HB   LEU  12           HB1      LEU  12  73.710  -9.259  -1.225
   90    HG   LEU  12           HG       LEU  12  75.336  -7.501   0.629
   91   1HD1  LEU  12          HD11      LEU  12  72.994  -7.067  -0.867
   92   2HD1  LEU  12          HD13      LEU  12  72.446  -7.341   0.787
   93   3HD1  LEU  12          HD12      LEU  12  73.612  -6.063   0.444
   94   1HD2  LEU  12          HD23      LEU  12  73.593  -9.869   1.148
   95   2HD2  LEU  12          HD22      LEU  12  74.985  -9.280   2.056
   96   3HD2  LEU  12          HD21      LEU  12  73.419  -8.486   2.228
   97    H    THR  13           HN       THR  13  75.220 -12.427  -1.308
   98    HA   THR  13           HA       THR  13  77.048 -12.422  -3.607
   99    HB   THR  13           HB       THR  13  76.036 -14.799  -3.757
  100    HG1  THR  13           HG1      THR  13  74.335 -15.041  -2.579
  101   1HG2  THR  13          HG21      THR  13  77.861 -13.588  -1.872
  102   2HG2  THR  13          HG23      THR  13  77.040 -14.959  -1.128
  103   3HG2  THR  13          HG22      THR  13  77.941 -15.180  -2.627
  104    H    GLU  14           HN       GLU  14  76.141 -13.341  -5.744
  105    HA   GLU  14           HA       GLU  14  74.186 -11.589  -6.848
  106   1HB   GLU  14           HB2      GLU  14  75.703 -14.021  -7.590
  107   2HB   GLU  14           HB1      GLU  14  74.219 -13.764  -8.508
  108   1HG   GLU  14           HG2      GLU  14  74.943 -11.676  -9.328
  109   2HG   GLU  14           HG1      GLU  14  76.181 -11.516  -8.081
  110    H    GLU  15           HN       GLU  15  73.868 -14.643  -5.163
  111    HA   GLU  15           HA       GLU  15  71.138 -15.176  -6.078
  112   1HB   GLU  15           HB2      GLU  15  72.918 -16.844  -5.346
  113   2HB   GLU  15           HB1      GLU  15  72.638 -16.294  -3.693
  114   1HG   GLU  15           HG2      GLU  15  70.185 -16.958  -5.191
  115   2HG   GLU  15           HG1      GLU  15  71.253 -18.330  -4.892
  116    H    GLN  16           HN       GLN  16  72.668 -13.529  -3.364
  117    HA   GLN  16           HA       GLN  16  70.173 -13.343  -1.816
  118   1HB   GLN  16           HB2      GLN  16  73.023 -12.392  -1.587
  119   2HB   GLN  16           HB1      GLN  16  71.790 -11.759  -0.495
  120   1HG   GLN  16           HG2      GLN  16  71.264 -13.968   0.315
  121   2HG   GLN  16           HG1      GLN  16  72.278 -14.718  -0.920
  122   1HE2  GLN  16          HE22      GLN  16  74.094 -12.903   2.295
  123   2HE2  GLN  16          HE21      GLN  16  72.511 -12.456   1.875
  124    H    LYS  17           HN       LYS  17  72.170 -11.215  -3.856
  125    HA   LYS  17           HA       LYS  17  70.839  -8.753  -3.357
  126   1HB   LYS  17           HB2      LYS  17  72.948  -9.613  -4.821
  127   2HB   LYS  17           HB1      LYS  17  71.768  -9.386  -6.112
  128   1HG   LYS  17           HG2      LYS  17  71.914  -7.140  -5.969
  129   2HG   LYS  17           HG1      LYS  17  71.724  -7.175  -4.216
  130   1HD   LYS  17           HD2      LYS  17  73.921  -6.233  -4.875
  131   2HD   LYS  17           HD1      LYS  17  74.103  -7.723  -3.950
  132   1HE   LYS  17           HE2      LYS  17  75.338  -8.547  -5.662
  133   2HE   LYS  17           HE1      LYS  17  73.876  -8.508  -6.667
  134   1HZ   LYS  17           HZ2      LYS  17  74.340  -6.055  -6.927
  135   2HZ   LYS  17           HZ1      LYS  17  75.885  -6.362  -6.290
  136   3HZ   LYS  17           HZ3      LYS  17  75.405  -7.099  -7.741
  137    H    ASN  18           HN       ASN  18  70.222 -11.176  -5.927
  138    HA   ASN  18           HA       ASN  18  68.133  -9.992  -7.318
  139   1HB   ASN  18           HB2      ASN  18  68.885 -12.765  -6.507
  140   2HB   ASN  18           HB1      ASN  18  67.299 -12.544  -7.246
  141   1HD2  ASN  18          HD22      ASN  18  70.655 -12.198  -9.526
  142   2HD2  ASN  18          HD21      ASN  18  70.764 -12.460  -7.851
  143    H    GLU  19           HN       GLU  19  68.038 -11.336  -4.059
  144    HA   GLU  19           HA       GLU  19  65.171 -11.466  -3.786
  145   1HB   GLU  19           HB2      GLU  19  66.685 -12.672  -2.324
  146   2HB   GLU  19           HB1      GLU  19  67.467 -11.171  -1.825
  147   1HG   GLU  19           HG2      GLU  19  65.177 -10.424  -0.971
  148   2HG   GLU  19           HG1      GLU  19  64.654 -12.093  -1.202
  149    H    PHE  20           HN       PHE  20  67.572  -8.942  -2.994
  150    HA   PHE  20           HA       PHE  20  65.663  -7.108  -1.830
  151   1HB   PHE  20           HB2      PHE  20  68.496  -7.159  -2.733
  152   2HB   PHE  20           HB1      PHE  20  67.746  -5.566  -2.627
  153    HD1  PHE  20           HD2      PHE  20  65.857  -5.926  -0.389
  154    HD2  PHE  20           HD1      PHE  20  69.902  -7.298  -0.842
  155    HE1  PHE  20           HE2      PHE  20  66.119  -5.964   2.076
  156    HE2  PHE  20           HE1      PHE  20  70.166  -7.335   1.623
  157    HZ   PHE  20           HZ       PHE  20  68.274  -6.669   3.083
  158    H    LYS  21           HN       LYS  21  67.040  -7.482  -5.097
  159    HA   LYS  21           HA       LYS  21  66.013  -5.141  -6.308
  160   1HB   LYS  21           HB2      LYS  21  67.520  -7.229  -7.066
  161   2HB   LYS  21           HB1      LYS  21  65.992  -7.736  -7.788
  162   1HG   LYS  21           HG2      LYS  21  66.027  -6.073  -9.345
  163   2HG   LYS  21           HG1      LYS  21  66.693  -4.895  -8.214
  164   1HD   LYS  21           HD2      LYS  21  68.915  -5.747  -8.493
  165   2HD   LYS  21           HD1      LYS  21  68.329  -7.165  -9.363
  166   1HE   LYS  21           HE2      LYS  21  67.543  -4.556 -10.542
  167   2HE   LYS  21           HE1      LYS  21  69.271  -4.953 -10.631
  168   1HZ   LYS  21           HZ3      LYS  21  67.266  -7.024 -11.220
  169   2HZ   LYS  21           HZ2      LYS  21  67.665  -5.890 -12.421
  170   3HZ   LYS  21           HZ1      LYS  21  68.867  -6.898 -11.767
  171    H    ALA  22           HN       ALA  22  64.461  -8.302  -5.778
  172    HA   ALA  22           HA       ALA  22  62.050  -7.764  -7.237
  173   1HB   ALA  22           HB3      ALA  22  63.208  -9.895  -6.038
  174   2HB   ALA  22           HB2      ALA  22  62.000  -9.494  -4.817
  175   3HB   ALA  22           HB1      ALA  22  61.499  -9.859  -6.469
  176    H    ALA  23           HN       ALA  23  63.182  -6.638  -4.157
  177    HA   ALA  23           HA       ALA  23  60.420  -5.877  -3.312
  178   1HB   ALA  23           HB3      ALA  23  63.122  -6.103  -1.980
  179   2HB   ALA  23           HB2      ALA  23  61.778  -5.278  -1.190
  180   3HB   ALA  23           HB1      ALA  23  61.641  -6.987  -1.607
  181    H    PHE  24           HN       PHE  24  63.081  -4.575  -4.950
  182    HA   PHE  24           HA       PHE  24  62.527  -1.797  -3.998
  183   1HB   PHE  24           HB2      PHE  24  64.840  -2.537  -3.933
  184   2HB   PHE  24           HB1      PHE  24  64.755  -3.078  -5.610
  185    HD1  PHE  24           HD1      PHE  24  64.805  -0.123  -3.385
  186    HD2  PHE  24           HD2      PHE  24  64.858  -1.516  -7.448
  187    HE1  PHE  24           HE1      PHE  24  65.448   2.145  -4.155
  188    HE2  PHE  24           HE2      PHE  24  65.500   0.753  -8.218
  189    HZ   PHE  24           HZ       PHE  24  65.796   2.583  -6.571
  190    H    ASP  25           HN       ASP  25  62.820  -3.727  -6.992
  191    HA   ASP  25           HA       ASP  25  62.104  -1.637  -8.814
  192   1HB   ASP  25           HB2      ASP  25  62.999  -4.212  -8.939
  193   2HB   ASP  25           HB1      ASP  25  61.321  -4.422  -9.440
  194    H    ILE  26           HN       ILE  26  60.220  -3.190  -6.457
  195    HA   ILE  26           HA       ILE  26  57.689  -3.309  -7.873
  196    HB   ILE  26           HB       ILE  26  58.341  -3.169  -4.916
  197   1HG1  ILE  26          HG12      ILE  26  58.267  -5.435  -6.918
  198   2HG1  ILE  26          HG11      ILE  26  59.571  -5.001  -5.813
  199   1HG2  ILE  26          HG22      ILE  26  55.872  -3.143  -6.274
  200   2HG2  ILE  26          HG21      ILE  26  56.075  -4.798  -5.700
  201   3HG2  ILE  26          HG23      ILE  26  56.132  -3.455  -4.558
  202   1HD1  ILE  26          HD13      ILE  26  56.844  -6.012  -4.964
  203   2HD1  ILE  26          HD12      ILE  26  58.308  -6.993  -5.028
  204   3HD1  ILE  26          HD11      ILE  26  58.197  -5.647  -3.893
  205    H    PHE  27           HN       PHE  27  59.510  -0.649  -6.988
  206    HA   PHE  27           HA       PHE  27  57.116   1.097  -7.088
  207   1HB   PHE  27           HB2      PHE  27  59.035   0.858  -4.761
  208   2HB   PHE  27           HB1      PHE  27  57.961   2.241  -4.972
  209    HD1  PHE  27           HD2      PHE  27  55.433   1.723  -5.317
  210    HD2  PHE  27           HD1      PHE  27  58.254  -1.076  -3.686
  211    HE1  PHE  27           HE2      PHE  27  53.571   0.434  -4.306
  212    HE2  PHE  27           HE1      PHE  27  56.391  -2.366  -2.677
  213    HZ   PHE  27           HZ       PHE  27  54.050  -1.611  -2.987
  214    H    VAL  28           HN       VAL  28  59.085   0.917  -9.068
  215    HA   VAL  28           HA       VAL  28  61.010   3.126  -8.583
  216    HB   VAL  28           HB       VAL  28  60.580   1.384 -11.026
  217   1HG1  VAL  28          HG11      VAL  28  62.110   3.622 -10.764
  218   2HG1  VAL  28          HG13      VAL  28  63.254   2.386 -10.242
  219   3HG1  VAL  28          HG12      VAL  28  62.514   2.284 -11.840
  220   1HG2  VAL  28          HG22      VAL  28  61.996   0.896  -8.426
  221   2HG2  VAL  28          HG21      VAL  28  61.040  -0.220  -9.401
  222   3HG2  VAL  28          HG23      VAL  28  62.671   0.220  -9.908
  223    H    LEU  29           HN       LEU  29  57.886   3.171  -9.210
  224    HA   LEU  29           HA       LEU  29  57.736   4.706 -11.678
  225   1HB   LEU  29           HB2      LEU  29  55.415   4.700 -11.243
  226   2HB   LEU  29           HB1      LEU  29  55.980   3.200 -10.522
  227    HG   LEU  29           HG       LEU  29  54.524   4.155  -8.913
  228   1HD1  LEU  29          HD12      LEU  29  57.385   4.833  -8.206
  229   2HD1  LEU  29          HD11      LEU  29  56.060   4.872  -7.048
  230   3HD1  LEU  29          HD13      LEU  29  56.507   3.355  -7.825
  231   1HD2  LEU  29          HD21      LEU  29  55.015   6.539 -10.144
  232   2HD2  LEU  29          HD23      LEU  29  54.168   6.378  -8.606
  233   3HD2  LEU  29          HD22      LEU  29  55.890   6.758  -8.628
  234    H    GLY  30           HN       GLY  30  59.112   5.569  -8.840
  235   1HA   GLY  30           HA2      GLY  30  57.942   8.279  -8.676
  236   2HA   GLY  30           HA1      GLY  30  59.159   7.613  -7.587
  237    H    ALA  31           HN       ALA  31  61.189   6.845  -9.171
  238    HA   ALA  31           HA       ALA  31  62.220   9.412 -10.193
  239   1HB   ALA  31           HB1      ALA  31  63.460   7.781  -8.713
  240   2HB   ALA  31           HB3      ALA  31  63.490   6.660 -10.074
  241   3HB   ALA  31           HB2      ALA  31  64.327   8.209 -10.189
  242    H    GLU  32           HN       GLU  32  63.994   8.158 -12.149
  243    HA   GLU  32           HA       GLU  32  62.099   7.195 -14.248
  244   1HB   GLU  32           HB2      GLU  32  62.435   9.730 -14.223
  245   2HB   GLU  32           HB1      GLU  32  64.115   9.418 -14.664
  246   1HG   GLU  32           HG2      GLU  32  63.579   8.778 -16.793
  247   2HG   GLU  32           HG1      GLU  32  62.073   8.009 -16.290
  248    H    ASP  33           HN       ASP  33  64.664   6.361 -12.559
  249    HA   ASP  33           HA       ASP  33  65.919   4.903 -14.820
  250   1HB   ASP  33           HB2      ASP  33  66.984   7.229 -14.317
  251   2HB   ASP  33           HB1      ASP  33  67.623   6.449 -12.870
  252    H    GLY  34           HN       GLY  34  64.574   3.342 -13.324
  253   1HA   GLY  34           HA2      GLY  34  64.569   1.635 -11.714
  254   2HA   GLY  34           HA1      GLY  34  66.322   1.638 -11.916
  255    H    CYS  35           HN       CYS  35  64.404   4.365 -10.758
  256    HA   CYS  35           HA       CYS  35  65.739   4.067  -8.084
  257   1HB   CYS  35           HB2      CYS  35  65.353   6.341  -9.990
  258   2HB   CYS  35           HB1      CYS  35  65.334   6.706  -8.264
  259    HG   CYS  35           HG       CYS  35  67.757   5.939  -8.056
  260    H    ILE  36           HN       ILE  36  64.446   4.803  -6.257
  261    HA   ILE  36           HA       ILE  36  61.507   4.968  -6.857
  262    HB   ILE  36           HB       ILE  36  61.202   3.696  -4.780
  263   1HG1  ILE  36          HG12      ILE  36  64.234   3.771  -4.627
  264   2HG1  ILE  36          HG11      ILE  36  63.131   4.633  -3.552
  265   1HG2  ILE  36          HG22      ILE  36  62.563   2.753  -7.122
  266   2HG2  ILE  36          HG21      ILE  36  63.182   1.880  -5.720
  267   3HG2  ILE  36          HG23      ILE  36  61.454   1.872  -6.071
  268   1HD1  ILE  36          HD12      ILE  36  62.924   1.646  -3.897
  269   2HD1  ILE  36          HD11      ILE  36  64.072   2.346  -2.755
  270   3HD1  ILE  36          HD13      ILE  36  62.344   2.645  -2.564
  271    H    SER  37           HN       SER  37  60.269   6.157  -5.153
  272    HA   SER  37           HA       SER  37  61.592   8.659  -4.441
  273   1HB   SER  37           HB2      SER  37  59.423   9.362  -4.248
  274   2HB   SER  37           HB1      SER  37  59.049   7.830  -5.032
  275    HG   SER  37           HG       SER  37  58.503   8.663  -2.524
  276    H    THR  38           HN       THR  38  62.780   8.909  -2.594
  277    HA   THR  38           HA       THR  38  63.305   7.065  -0.598
  278    HB   THR  38           HB       THR  38  63.682   9.193   0.814
  279    HG1  THR  38           HG1      THR  38  63.406  11.111  -0.328
  280   1HG2  THR  38          HG22      THR  38  64.867   8.482  -1.818
  281   2HG2  THR  38          HG21      THR  38  65.298  10.060  -1.159
  282   3HG2  THR  38          HG23      THR  38  65.631   8.597  -0.232
  283    H    LYS  39           HN       LYS  39  60.376   8.950  -0.990
  284    HA   LYS  39           HA       LYS  39  59.407   8.519   1.737
  285   1HB   LYS  39           HB2      LYS  39  57.891   9.313  -0.765
  286   2HB   LYS  39           HB1      LYS  39  57.467   9.688   0.906
  287   1HG   LYS  39           HG2      LYS  39  60.128  10.609   0.483
  288   2HG   LYS  39           HG1      LYS  39  59.153  11.174  -0.874
  289   1HD   LYS  39           HD2      LYS  39  57.422  11.785   1.029
  290   2HD   LYS  39           HD1      LYS  39  58.864  11.780   2.046
  291   1HE   LYS  39           HE2      LYS  39  59.689  13.199  -0.199
  292   2HE   LYS  39           HE1      LYS  39  58.023  13.757   0.059
  293   1HZ   LYS  39           HZ3      LYS  39  60.116  13.557   2.161
  294   2HZ   LYS  39           HZ2      LYS  39  59.593  15.001   1.434
  295   3HZ   LYS  39           HZ1      LYS  39  58.524  14.094   2.393
  296    H    GLU  40           HN       GLU  40  59.494   6.626  -1.141
  297    HA   GLU  40           HA       GLU  40  57.136   5.003  -0.323
  298   1HB   GLU  40           HB2      GLU  40  57.208   4.188  -2.543
  299   2HB   GLU  40           HB1      GLU  40  57.716   5.868  -2.704
  300   1HG   GLU  40           HG2      GLU  40  59.436   4.911  -3.881
  301   2HG   GLU  40           HG1      GLU  40  60.122   4.725  -2.266
  302    H    LEU  41           HN       LEU  41  60.653   4.862  -0.485
  303    HA   LEU  41           HA       LEU  41  61.282   2.173  -0.377
  304   1HB   LEU  41           HB2      LEU  41  62.472   4.609   0.240
  305   2HB   LEU  41           HB1      LEU  41  62.562   3.721   1.761
  306    HG   LEU  41           HG       LEU  41  63.621   2.859  -0.941
  307   1HD1  LEU  41          HD13      LEU  41  64.759   4.249   1.221
  308   2HD1  LEU  41          HD12      LEU  41  65.361   2.597   1.367
  309   3HD1  LEU  41          HD11      LEU  41  65.621   3.501  -0.124
  310   1HD2  LEU  41          HD23      LEU  41  62.601   1.255   1.244
  311   2HD2  LEU  41          HD22      LEU  41  63.242   0.726  -0.311
  312   3HD2  LEU  41          HD21      LEU  41  64.333   0.987   1.049
  313    H    GLY  42           HN       GLY  42  59.833   4.112   2.226
  314   1HA   GLY  42           HA2      GLY  42  60.041   2.427   4.416
  315   2HA   GLY  42           HA1      GLY  42  58.591   3.376   4.092
  316    H    LYS  43           HN       LYS  43  57.250   2.307   2.162
  317    HA   LYS  43           HA       LYS  43  56.141  -0.117   3.079
  318   1HB   LYS  43           HB2      LYS  43  56.296   1.112   0.309
  319   2HB   LYS  43           HB1      LYS  43  55.191  -0.189   0.750
  320   1HG   LYS  43           HG2      LYS  43  55.297   2.498   2.150
  321   2HG   LYS  43           HG1      LYS  43  54.142   2.086   0.883
  322   1HD   LYS  43           HD2      LYS  43  54.274   0.065   2.999
  323   2HD   LYS  43           HD1      LYS  43  53.770   1.648   3.592
  324   1HE   LYS  43           HE2      LYS  43  52.273   1.514   1.331
  325   2HE   LYS  43           HE1      LYS  43  52.359  -0.208   1.753
  326   1HZ   LYS  43           HZ3      LYS  43  51.952   0.697   4.139
  327   2HZ   LYS  43           HZ2      LYS  43  51.296   2.038   3.328
  328   3HZ   LYS  43           HZ1      LYS  43  50.639   0.490   3.087
  329    H    VAL  44           HN       VAL  44  58.684   0.410   0.632
  330    HA   VAL  44           HA       VAL  44  59.002  -2.294  -0.206
  331    HB   VAL  44           HB       VAL  44  60.652   0.214  -0.117
  332   1HG1  VAL  44          HG13      VAL  44  62.260  -1.615   0.358
  333   2HG1  VAL  44          HG12      VAL  44  61.687  -2.476  -1.070
  334   3HG1  VAL  44          HG11      VAL  44  62.514  -0.927  -1.246
  335   1HG2  VAL  44          HG22      VAL  44  58.844  -0.383  -1.847
  336   2HG2  VAL  44          HG21      VAL  44  60.411   0.120  -2.481
  337   3HG2  VAL  44          HG23      VAL  44  59.982  -1.591  -2.447
  338    H    MET  45           HN       MET  45  60.611  -0.469   2.420
  339    HA   MET  45           HA       MET  45  62.414  -2.446   3.312
  340   1HB   MET  45           HB2      MET  45  60.836  -0.235   4.625
  341   2HB   MET  45           HB1      MET  45  61.943  -1.233   5.569
  342   1HG   MET  45           HG2      MET  45  62.828   0.090   3.007
  343   2HG   MET  45           HG1      MET  45  62.891   0.943   4.549
  344   1HE   MET  45           HE1      MET  45  65.111   1.429   4.455
  345   2HE   MET  45           HE3      MET  45  66.502   0.353   4.643
  346   3HE   MET  45           HE2      MET  45  65.747   0.555   3.064
  347    H    ARG  46           HN       ARG  46  58.998  -1.944   4.254
  348    HA   ARG  46           HA       ARG  46  58.988  -4.319   5.976
  349   1HB   ARG  46           HB2      ARG  46  56.648  -3.660   6.303
  350   2HB   ARG  46           HB1      ARG  46  57.678  -2.231   6.384
  351   1HG   ARG  46           HG2      ARG  46  56.915  -1.392   4.378
  352   2HG   ARG  46           HG1      ARG  46  56.598  -2.993   3.709
  353   1HD   ARG  46           HD2      ARG  46  54.925  -2.388   6.049
  354   2HD   ARG  46           HD1      ARG  46  54.651  -1.288   4.683
  355    HE   ARG  46           HE       ARG  46  54.345  -3.330   3.255
  356   1HH1  ARG  46          HH11      ARG  46  54.850  -5.750   4.054
  357   2HH1  ARG  46          HH12      ARG  46  53.656  -6.273   5.194
  358   1HH2  ARG  46          HH21      ARG  46  52.514  -3.069   5.870
  359   2HH2  ARG  46          HH22      ARG  46  52.333  -4.755   6.222
  360    H    MET  47           HN       MET  47  58.833  -3.845   2.650
  361    HA   MET  47           HA       MET  47  56.841  -5.920   2.035
  362   1HB   MET  47           HB2      MET  47  58.489  -3.896   0.676
  363   2HB   MET  47           HB1      MET  47  58.317  -5.391  -0.246
  364   1HG   MET  47           HG2      MET  47  55.954  -3.973   0.999
  365   2HG   MET  47           HG1      MET  47  56.508  -3.634  -0.641
  366   1HE   MET  47           HE1      MET  47  56.861  -5.129  -2.356
  367   2HE   MET  47           HE3      MET  47  57.404  -6.699  -1.744
  368   3HE   MET  47           HE2      MET  47  55.934  -6.586  -2.709
  369    H    LEU  48           HN       LEU  48  60.373  -5.566   1.995
  370    HA   LEU  48           HA       LEU  48  60.822  -8.317   1.088
  371   1HB   LEU  48           HB2      LEU  48  62.412  -6.742   0.369
  372   2HB   LEU  48           HB1      LEU  48  62.426  -5.907   1.919
  373    HG   LEU  48           HG       LEU  48  64.485  -7.326   1.327
  374   1HD1  LEU  48          HD11      LEU  48  63.243  -6.700   3.731
  375   2HD1  LEU  48          HD13      LEU  48  63.599  -8.421   3.882
  376   3HD1  LEU  48          HD12      LEU  48  64.899  -7.280   3.541
  377   1HD2  LEU  48          HD21      LEU  48  62.451  -9.307   1.070
  378   2HD2  LEU  48          HD23      LEU  48  64.191  -9.509   0.882
  379   3HD2  LEU  48          HD22      LEU  48  63.444  -9.745   2.459
  380    H    GLY  49           HN       GLY  49  60.445  -6.631   4.112
  381   1HA   GLY  49           HA2      GLY  49  59.853  -8.449   5.906
  382   2HA   GLY  49           HA1      GLY  49  61.517  -8.963   5.624
  383    H    GLN  50           HN       GLN  50  63.008  -6.782   5.572
  384    HA   GLN  50           HA       GLN  50  63.489  -5.944   8.149
  385   1HB   GLN  50           HB2      GLN  50  63.973  -4.971   5.423
  386   2HB   GLN  50           HB1      GLN  50  64.014  -3.684   6.630
  387   1HG   GLN  50           HG2      GLN  50  65.533  -6.289   6.918
  388   2HG   GLN  50           HG1      GLN  50  66.239  -4.819   6.243
  389   1HE2  GLN  50          HE22      GLN  50  65.921  -5.200  10.246
  390   2HE2  GLN  50          HE21      GLN  50  65.546  -6.470   9.184
  391    H    ASN  51           HN       ASN  51  62.916  -4.013   9.364
  392    HA   ASN  51           HA       ASN  51  60.518  -2.497   8.481
  393   1HB   ASN  51           HB2      ASN  51  59.464  -3.069  10.728
  394   2HB   ASN  51           HB1      ASN  51  59.577  -4.419   9.599
  395   1HD2  ASN  51          HD22      ASN  51  61.287  -4.839  13.156
  396   2HD2  ASN  51          HD21      ASN  51  60.064  -3.718  12.797
  397    HA   PRO  52           HA       PRO  52  63.763  -0.205  10.943
  398   1HB   PRO  52           HB2      PRO  52  64.321   1.665   9.026
  399   2HB   PRO  52           HB1      PRO  52  65.166   0.107   9.134
  400   1HG   PRO  52           HG2      PRO  52  62.961   0.944   7.320
  401   2HG   PRO  52           HG1      PRO  52  64.372  -0.072   6.988
  402   1HD   PRO  52           HD2      PRO  52  61.865  -1.061   7.422
  403   2HD   PRO  52           HD1      PRO  52  63.355  -1.965   7.768
  404    H    THR  53           HN       THR  53  63.572   2.097  11.656
  405    HA   THR  53           HA       THR  53  60.760   2.939  11.774
  406    HB   THR  53           HB       THR  53  63.389   3.633  13.052
  407    HG1  THR  53           HG1      THR  53  62.398   2.283  14.323
  408   1HG2  THR  53          HG22      THR  53  61.161   5.496  12.608
  409   2HG2  THR  53          HG21      THR  53  61.618   5.326  14.303
  410   3HG2  THR  53          HG23      THR  53  62.819   5.824  13.110
  411    HA   PRO  54           HA       PRO  54  61.119   5.839   8.467
  412   1HB   PRO  54           HB2      PRO  54  59.000   7.448   9.116
  413   2HB   PRO  54           HB1      PRO  54  58.806   5.835   8.400
  414   1HG   PRO  54           HG2      PRO  54  58.542   6.689  11.240
  415   2HG   PRO  54           HG1      PRO  54  57.576   5.528  10.316
  416   1HD   PRO  54           HD2      PRO  54  59.511   4.790  12.084
  417   2HD   PRO  54           HD1      PRO  54  59.057   3.814  10.669
  418    H    GLU  55           HN       GLU  55  60.663   7.083  11.780
  419    HA   GLU  55           HA       GLU  55  61.494   9.759  11.393
  420   1HB   GLU  55           HB2      GLU  55  61.889   7.833  13.707
  421   2HB   GLU  55           HB1      GLU  55  62.073   9.583  13.828
  422   1HG   GLU  55           HG2      GLU  55  59.704   9.794  12.959
  423   2HG   GLU  55           HG1      GLU  55  59.557   8.046  13.145
  424    H    GLU  56           HN       GLU  56  63.378   6.790  11.562
  425    HA   GLU  56           HA       GLU  56  65.942   8.253  11.764
  426   1HB   GLU  56           HB2      GLU  56  64.881   5.572  12.177
  427   2HB   GLU  56           HB1      GLU  56  66.375   5.531  11.238
  428   1HG   GLU  56           HG2      GLU  56  67.618   6.589  12.933
  429   2HG   GLU  56           HG1      GLU  56  66.173   7.214  13.728
  430    H    LEU  57           HN       LEU  57  64.067   6.416   9.372
  431    HA   LEU  57           HA       LEU  57  66.022   6.212   7.319
  432   1HB   LEU  57           HB2      LEU  57  63.057   6.194   7.592
  433   2HB   LEU  57           HB1      LEU  57  63.695   6.421   5.963
  434    HG   LEU  57           HG       LEU  57  65.030   4.298   7.520
  435   1HD1  LEU  57          HD12      LEU  57  62.160   4.424   7.472
  436   2HD1  LEU  57          HD11      LEU  57  62.690   3.081   6.459
  437   3HD1  LEU  57          HD13      LEU  57  63.191   3.164   8.148
  438   1HD2  LEU  57          HD23      LEU  57  64.286   4.982   4.757
  439   2HD2  LEU  57          HD22      LEU  57  65.667   4.061   5.351
  440   3HD2  LEU  57          HD21      LEU  57  64.107   3.269   5.131
  441    H    GLN  58           HN       GLN  58  63.486   8.716   7.751
  442    HA   GLN  58           HA       GLN  58  63.976  10.414   5.635
  443   1HB   GLN  58           HB2      GLN  58  62.780  10.505   8.197
  444   2HB   GLN  58           HB1      GLN  58  63.803  11.938   8.086
  445   1HG   GLN  58           HG2      GLN  58  61.597  12.474   7.203
  446   2HG   GLN  58           HG1      GLN  58  62.757  12.458   5.875
  447   1HE2  GLN  58          HE22      GLN  58  61.014   9.950   4.140
  448   2HE2  GLN  58          HE21      GLN  58  62.150  11.210   4.101
  449    H    GLU  59           HN       GLU  59  65.647  10.797   8.791
  450    HA   GLU  59           HA       GLU  59  67.543  12.719   8.025
  451   1HB   GLU  59           HB2      GLU  59  67.285  10.561  10.053
  452   2HB   GLU  59           HB1      GLU  59  68.908  11.211   9.820
  453   1HG   GLU  59           HG2      GLU  59  66.867  13.304   9.922
  454   2HG   GLU  59           HG1      GLU  59  66.930  12.346  11.402
  455    H    MET  60           HN       MET  60  68.086   9.170   8.097
  456    HA   MET  60           HA       MET  60  70.633   9.070   6.945
  457   1HB   MET  60           HB2      MET  60  68.725   7.305   7.748
  458   2HB   MET  60           HB1      MET  60  68.642   7.081   6.000
  459   1HG   MET  60           HG2      MET  60  71.245   6.955   6.136
  460   2HG   MET  60           HG1      MET  60  70.975   6.636   7.849
  461   1HE   MET  60           HE1      MET  60  68.001   5.509   7.327
  462   2HE   MET  60           HE3      MET  60  68.217   3.755   7.385
  463   3HE   MET  60           HE2      MET  60  68.998   4.780   8.584
  464    H    ILE  61           HN       ILE  61  67.485   9.205   5.253
  465    HA   ILE  61           HA       ILE  61  68.447   9.002   2.587
  466    HB   ILE  61           HB       ILE  61  66.090  10.429   3.854
  467   1HG1  ILE  61          HG12      ILE  61  66.094   7.872   2.249
  468   2HG1  ILE  61          HG11      ILE  61  66.435   7.861   3.980
  469   1HG2  ILE  61          HG22      ILE  61  66.688   9.845   0.939
  470   2HG2  ILE  61          HG21      ILE  61  65.103  10.326   1.546
  471   3HG2  ILE  61          HG23      ILE  61  66.470  11.433   1.677
  472   1HD1  ILE  61          HD11      ILE  61  64.191   9.471   3.807
  473   2HD1  ILE  61          HD13      ILE  61  63.883   8.237   2.587
  474   3HD1  ILE  61          HD12      ILE  61  64.190   7.766   4.258
  475    H    ASP  62           HN       ASP  62  67.871  11.912   4.594
  476    HA   ASP  62           HA       ASP  62  68.788  13.773   2.570
  477   1HB   ASP  62           HB2      ASP  62  68.495  13.971   5.587
  478   2HB   ASP  62           HB1      ASP  62  68.694  15.346   4.501
  479    H    GLU  63           HN       GLU  63  70.472  11.528   4.433
  480    HA   GLU  63           HA       GLU  63  72.935  13.214   4.534
  481   1HB   GLU  63           HB2      GLU  63  72.658  12.373   6.663
  482   2HB   GLU  63           HB1      GLU  63  71.730  10.985   6.100
  483   1HG   GLU  63           HG2      GLU  63  73.709   9.820   5.430
  484   2HG   GLU  63           HG1      GLU  63  74.707  11.260   5.639
  485    H    VAL  64           HN       VAL  64  71.798   9.938   3.634
  486    HA   VAL  64           HA       VAL  64  74.293   9.352   2.191
  487    HB   VAL  64           HB       VAL  64  72.789   7.761   3.530
  488   1HG1  VAL  64          HG12      VAL  64  70.651   8.550   2.562
  489   2HG1  VAL  64          HG11      VAL  64  71.153   7.945   0.983
  490   3HG1  VAL  64          HG13      VAL  64  70.871   6.818   2.310
  491   1HG2  VAL  64          HG21      VAL  64  74.306   7.384   1.144
  492   2HG2  VAL  64          HG23      VAL  64  73.998   6.214   2.426
  493   3HG2  VAL  64          HG22      VAL  64  72.900   6.325   1.050
  494    H    ASP  65           HN       ASP  65  70.898  10.062   1.390
  495    HA   ASP  65           HA       ASP  65  71.444   9.962  -1.509
  496   1HB   ASP  65           HB2      ASP  65  69.295   9.425   0.079
  497   2HB   ASP  65           HB1      ASP  65  68.910  11.069  -0.435
  498    H    GLU  66           HN       GLU  66  73.146  11.831  -0.894
  499    HA   GLU  66           HA       GLU  66  72.055  14.496  -0.481
  500   1HB   GLU  66           HB2      GLU  66  74.448  13.328  -0.131
  501   2HB   GLU  66           HB1      GLU  66  74.725  14.018  -1.731
  502   1HG   GLU  66           HG2      GLU  66  75.293  15.885  -0.548
  503   2HG   GLU  66           HG1      GLU  66  73.546  16.128  -0.477
  504    H    ASP  67           HN       ASP  67  73.076  12.598  -3.307
  505    HA   ASP  67           HA       ASP  67  72.550  14.861  -5.138
  506   1HB   ASP  67           HB2      ASP  67  73.504  13.366  -6.785
  507   2HB   ASP  67           HB1      ASP  67  74.471  13.216  -5.316
  508    H    GLY  68           HN       GLY  68  71.145  11.715  -4.264
  509   1HA   GLY  68           HA2      GLY  68  69.232  11.403  -6.278
  510   2HA   GLY  68           HA1      GLY  68  68.959  10.914  -4.605
  511    H    SER  69           HN       SER  69  69.091  13.508  -3.419
  512    HA   SER  69           HA       SER  69  67.737  15.410  -3.027
  513   1HB   SER  69           HB2      SER  69  68.332  15.434  -5.640
  514   2HB   SER  69           HB1      SER  69  66.596  15.169  -5.779
  515    HG   SER  69           HG       SER  69  66.706  17.310  -5.624
  516    H    GLY  70           HN       GLY  70  66.739  12.514  -2.835
  517   1HA   GLY  70           HA2      GLY  70  64.547  12.211  -1.627
  518   2HA   GLY  70           HA1      GLY  70  63.816  13.148  -2.931
  519    H    THR  71           HN       THR  71  66.337  10.921  -3.763
  520    HA   THR  71           HA       THR  71  64.424   8.758  -4.442
  521    HB   THR  71           HB       THR  71  65.115   8.903  -6.842
  522    HG1  THR  71           HG1      THR  71  66.855  10.031  -7.126
  523   1HG2  THR  71          HG22      THR  71  63.103  10.147  -5.759
  524   2HG2  THR  71          HG21      THR  71  64.075  11.599  -6.004
  525   3HG2  THR  71          HG23      THR  71  63.601  10.612  -7.385
  526    H    VAL  72           HN       VAL  72  65.463   6.804  -4.236
  527    HA   VAL  72           HA       VAL  72  68.448   6.838  -4.034
  528    HB   VAL  72           HB       VAL  72  67.863   4.541  -2.894
  529   1HG1  VAL  72          HG12      VAL  72  67.448   7.310  -1.801
  530   2HG1  VAL  72          HG11      VAL  72  67.276   5.893  -0.763
  531   3HG1  VAL  72          HG13      VAL  72  68.815   6.217  -1.563
  532   1HG2  VAL  72          HG22      VAL  72  65.392   4.909  -3.697
  533   2HG2  VAL  72          HG21      VAL  72  65.685   4.261  -2.083
  534   3HG2  VAL  72          HG23      VAL  72  65.284   5.966  -2.290
  535    H    ASP  73           HN       ASP  73  69.489   4.757  -4.730
  536    HA   ASP  73           HA       ASP  73  68.087   3.435  -7.016
  537   1HB   ASP  73           HB2      ASP  73  70.104   3.759  -8.361
  538   2HB   ASP  73           HB1      ASP  73  69.582   5.326  -7.742
  539    H    PHE  74           HN       PHE  74  69.241   1.337  -7.578
  540    HA   PHE  74           HA       PHE  74  69.564  -0.419  -5.466
  541   1HB   PHE  74           HB2      PHE  74  69.713  -0.583  -8.136
  542   2HB   PHE  74           HB1      PHE  74  71.440  -0.661  -7.784
  543    HD1  PHE  74           HD1      PHE  74  68.297  -2.039  -6.251
  544    HD2  PHE  74           HD2      PHE  74  72.286  -2.818  -7.640
  545    HE1  PHE  74           HE1      PHE  74  68.060  -4.419  -5.595
  546    HE2  PHE  74           HE2      PHE  74  72.049  -5.198  -6.986
  547    HZ   PHE  74           HZ       PHE  74  69.936  -5.999  -5.962
  548    H    ASP  75           HN       ASP  75  71.860   1.990  -6.568
  549    HA   ASP  75           HA       ASP  75  74.183   0.911  -5.208
  550   1HB   ASP  75           HB2      ASP  75  74.076   2.547  -7.151
  551   2HB   ASP  75           HB1      ASP  75  73.572   3.776  -5.989
  552    H    GLU  76           HN       GLU  76  71.809   3.475  -4.394
  553    HA   GLU  76           HA       GLU  76  73.012   3.891  -1.745
  554   1HB   GLU  76           HB2      GLU  76  70.558   4.915  -3.202
  555   2HB   GLU  76           HB1      GLU  76  71.002   5.445  -1.579
  556   1HG   GLU  76           HG2      GLU  76  73.333   5.593  -3.231
  557   2HG   GLU  76           HG1      GLU  76  72.008   6.398  -4.074
  558    H    PHE  77           HN       PHE  77  69.816   2.757  -2.934
  559    HA   PHE  77           HA       PHE  77  68.578   2.025  -0.571
  560   1HB   PHE  77           HB2      PHE  77  67.593   1.794  -2.794
  561   2HB   PHE  77           HB1      PHE  77  68.750   0.527  -3.205
  562    HD1  PHE  77           HD2      PHE  77  66.843   1.096  -0.039
  563    HD2  PHE  77           HD1      PHE  77  67.479  -1.439  -3.447
  564    HE1  PHE  77           HE2      PHE  77  65.331  -0.608   0.945
  565    HE2  PHE  77           HE1      PHE  77  65.966  -3.142  -2.464
  566    HZ   PHE  77           HZ       PHE  77  64.894  -2.726  -0.267
  567    H    LEU  78           HN       LEU  78  71.094   0.179  -2.295
  568    HA   LEU  78           HA       LEU  78  71.066  -2.151  -0.644
  569   1HB   LEU  78           HB2      LEU  78  72.860  -0.784  -2.577
  570   2HB   LEU  78           HB1      LEU  78  73.634  -1.951  -1.505
  571    HG   LEU  78           HG       LEU  78  71.187  -2.517  -3.205
  572   1HD1  LEU  78          HD13      LEU  78  73.971  -2.437  -3.876
  573   2HD1  LEU  78          HD12      LEU  78  73.448  -4.121  -3.881
  574   3HD1  LEU  78          HD11      LEU  78  72.617  -2.936  -4.890
  575   1HD2  LEU  78          HD23      LEU  78  72.071  -3.772  -0.887
  576   2HD2  LEU  78          HD22      LEU  78  71.026  -4.493  -2.111
  577   3HD2  LEU  78          HD21      LEU  78  72.769  -4.757  -2.174
  578    H    VAL  79           HN       VAL  79  73.064   0.816  -0.442
  579    HA   VAL  79           HA       VAL  79  74.504   0.020   1.922
  580    HB   VAL  79           HB       VAL  79  73.843   2.743   0.754
  581   1HG1  VAL  79          HG11      VAL  79  75.320   1.917   3.116
  582   2HG1  VAL  79          HG13      VAL  79  76.370   2.761   1.977
  583   3HG1  VAL  79          HG12      VAL  79  74.906   3.544   2.575
  584   1HG2  VAL  79          HG23      VAL  79  75.183   0.713  -0.475
  585   2HG2  VAL  79          HG22      VAL  79  75.532   2.419  -0.753
  586   3HG2  VAL  79          HG21      VAL  79  76.506   1.494   0.390
  587    H    MET  80           HN       MET  80  71.663   2.154   1.453
  588    HA   MET  80           HA       MET  80  71.231   2.883   4.150
  589   1HB   MET  80           HB2      MET  80  69.854   2.876   1.600
  590   2HB   MET  80           HB1      MET  80  68.724   2.521   2.907
  591   1HG   MET  80           HG2      MET  80  70.387   4.593   3.863
  592   2HG   MET  80           HG1      MET  80  69.951   5.042   2.213
  593   1HE   MET  80           HE3      MET  80  67.587   4.884   1.272
  594   2HE   MET  80           HE2      MET  80  66.391   5.841   2.143
  595   3HE   MET  80           HE1      MET  80  67.995   6.506   1.847
  596    H    MET  81           HN       MET  81  70.682  -0.164   2.530
  597    HA   MET  81           HA       MET  81  68.820  -1.227   4.517
  598   1HB   MET  81           HB2      MET  81  70.048  -1.950   1.976
  599   2HB   MET  81           HB1      MET  81  70.023  -3.318   3.089
  600   1HG   MET  81           HG2      MET  81  67.586  -1.596   2.610
  601   2HG   MET  81           HG1      MET  81  67.943  -3.014   1.622
  602   1HE   MET  81           HE3      MET  81  65.469  -2.549   2.898
  603   2HE   MET  81           HE2      MET  81  65.463  -4.283   2.589
  604   3HE   MET  81           HE1      MET  81  65.000  -3.678   4.177
  605    H    VAL  82           HN       VAL  82  72.208  -2.056   3.656
  606    HA   VAL  82           HA       VAL  82  72.762  -3.808   5.785
  607    HB   VAL  82           HB       VAL  82  75.088  -3.268   5.282
  608   1HG1  VAL  82          HG12      VAL  82  73.063  -3.704   3.250
  609   2HG1  VAL  82          HG11      VAL  82  74.445  -2.837   2.580
  610   3HG1  VAL  82          HG13      VAL  82  74.682  -4.394   3.372
  611   1HG2  VAL  82          HG21      VAL  82  74.063  -0.653   5.007
  612   2HG2  VAL  82          HG23      VAL  82  75.738  -1.162   4.803
  613   3HG2  VAL  82          HG22      VAL  82  74.660  -1.101   3.410
  614    H    ARG  83           HN       ARG  83  72.261  -0.378   5.869
  615    HA   ARG  83           HA       ARG  83  73.767   0.261   8.239
  616   1HB   ARG  83           HB2      ARG  83  72.455   1.630   6.319
  617   2HB   ARG  83           HB1      ARG  83  71.229   1.680   7.587
  618   1HG   ARG  83           HG2      ARG  83  72.498   3.013   8.952
  619   2HG   ARG  83           HG1      ARG  83  74.013   2.275   8.435
  620   1HD   ARG  83           HD2      ARG  83  74.237   3.687   6.606
  621   2HD   ARG  83           HD1      ARG  83  72.486   3.919   6.441
  622    HE   ARG  83           HE       ARG  83  72.663   5.708   7.968
  623   1HH1  ARG  83          HH11      ARG  83  73.444   4.448  10.403
  624   2HH1  ARG  83          HH12      ARG  83  75.071   4.976  10.678
  625   1HH2  ARG  83          HH21      ARG  83  75.571   6.001   7.403
  626   2HH2  ARG  83          HH22      ARG  83  76.274   5.856   8.979
  627    H    CYS  84           HN       CYS  84  70.217  -0.143   7.858
  628    HA   CYS  84           HA       CYS  84  69.807  -0.385  10.730
  629   1HB   CYS  84           HB2      CYS  84  68.125   0.587   9.280
  630   2HB   CYS  84           HB1      CYS  84  68.089  -0.863   8.277
  631    HG   CYS  84           HG       CYS  84  67.164  -0.952  11.267
  632    H    MET  85           HN       MET  85  68.303  -2.722   8.597
  633    HA   MET  85           HA       MET  85  68.248  -5.084   8.706
  634   1HB   MET  85           HB2      MET  85  71.102  -4.249   9.145
  635   2HB   MET  85           HB1      MET  85  70.678  -5.959   9.250
  636   1HG   MET  85           HG2      MET  85  69.508  -4.598   6.921
  637   2HG   MET  85           HG1      MET  85  71.271  -4.625   6.912
  638   1HE   MET  85           HE3      MET  85  71.064  -5.719   4.811
  639   2HE   MET  85           HE2      MET  85  70.815  -7.442   4.535
  640   3HE   MET  85           HE1      MET  85  69.425  -6.366   4.651
  641    H    LYS  86           HN       LYS  86  67.727  -3.446  11.205
  642    HA   LYS  86           HA       LYS  86  67.266  -3.907  13.477
  643   1HB   LYS  86           HB2      LYS  86  67.073  -6.307  11.929
  644   2HB   LYS  86           HB1      LYS  86  67.789  -6.721  13.486
  645   1HG   LYS  86           HG2      LYS  86  65.442  -4.874  13.487
  646   2HG   LYS  86           HG1      LYS  86  65.142  -6.582  13.168
  647   1HD   LYS  86           HD2      LYS  86  65.057  -6.687  15.455
  648   2HD   LYS  86           HD1      LYS  86  66.808  -6.813  15.281
  649   1HE   LYS  86           HE2      LYS  86  67.173  -4.668  16.047
  650   2HE   LYS  86           HE1      LYS  86  65.653  -4.058  15.363
  651   1HZ   LYS  86           HZ2      LYS  86  64.457  -5.413  17.015
  652   2HZ   LYS  86           HZ1      LYS  86  65.940  -5.839  17.725
  653   3HZ   LYS  86           HZ3      LYS  86  65.427  -4.222  17.741
  654    H    ASP  87           HN       ASP  87  69.532  -2.783  13.642
  655    HA   ASP  87           HA       ASP  87  71.693  -2.719  14.607
  656   1HB   ASP  87           HB2      ASP  87  69.886  -3.730  16.319
  657   2HB   ASP  87           HB1      ASP  87  70.948  -5.134  16.197
  658    H    ASP  88           HN       ASP  88  73.157  -4.986  15.672
  659    HA   ASP  88           HA       ASP  88  74.172  -6.100  13.137
  660   1HB   ASP  88           HB2      ASP  88  75.041  -5.673  15.915
  661   2HB   ASP  88           HB1      ASP  88  75.597  -7.204  15.235
  662    H    SER  89           HN       SER  89  71.910  -7.014  15.524
  663    HA   SER  89           HA       SER  89  72.094  -9.878  14.641
  664   1HB   SER  89           HB2      SER  89  71.548  -8.625  17.341
  665   2HB   SER  89           HB1      SER  89  71.183 -10.313  16.996
  666    HG   SER  89           HG       SER  89  73.531 -10.181  16.154
   
  No H/Q in entry =         666
  Start of MODEL   32
    1   1H    MET   1           HT3      MET   1  83.689   7.617  -3.248
    2   2H    MET   1           HT2      MET   1  83.615   9.301  -3.455
    3   3H    MET   1           HT1      MET   1  84.619   8.632  -2.259
    4    HA   MET   1           HA       MET   1  82.846   9.258  -0.961
    5   1HB   MET   1           HB2      MET   1  81.735   9.419  -3.572
    6   2HB   MET   1           HB1      MET   1  80.613   8.465  -2.601
    7   1HG   MET   1           HG2      MET   1  79.915  10.308  -1.519
    8   2HG   MET   1           HG1      MET   1  81.570  10.698  -1.049
    9   1HE   MET   1           HE3      MET   1  80.380  12.782  -0.938
   10   2HE   MET   1           HE2      MET   1  80.752  14.026  -2.129
   11   3HE   MET   1           HE1      MET   1  79.191  13.210  -2.178
   12    H    ASP   2           HN       ASP   2  84.111   6.898  -0.640
   13    HA   ASP   2           HA       ASP   2  82.064   5.147   0.439
   14   1HB   ASP   2           HB2      ASP   2  82.613   3.252  -1.144
   15   2HB   ASP   2           HB1      ASP   2  81.774   4.604  -1.906
   16    H    ASP   3           HN       ASP   3  83.030   4.079   2.129
   17    HA   ASP   3           HA       ASP   3  85.975   3.544   1.972
   18   1HB   ASP   3           HB2      ASP   3  84.339   4.687   4.260
   19   2HB   ASP   3           HB1      ASP   3  86.045   4.251   4.371
   20    H    ILE   4           HN       ILE   4  82.955   2.811   3.739
   21    HA   ILE   4           HA       ILE   4  83.973   0.013   4.118
   22    HB   ILE   4           HB       ILE   4  82.928   0.041   6.266
   23   1HG1  ILE   4          HG12      ILE   4  81.577   2.592   5.330
   24   2HG1  ILE   4          HG11      ILE   4  80.795   1.041   5.641
   25   1HG2  ILE   4          HG22      ILE   4  84.825   1.986   5.538
   26   2HG2  ILE   4          HG21      ILE   4  83.662   2.826   6.563
   27   3HG2  ILE   4          HG23      ILE   4  84.490   1.391   7.165
   28   1HD1  ILE   4          HD12      ILE   4  82.007   1.391   8.021
   29   2HD1  ILE   4          HD11      ILE   4  81.789   3.080   7.566
   30   3HD1  ILE   4          HD13      ILE   4  80.392   2.011   7.683
   31    H    TYR   5           HN       TYR   5  81.439   2.057   2.941
   32    HA   TYR   5           HA       TYR   5  79.300   0.095   2.941
   33   1HB   TYR   5           HB2      TYR   5  79.762   2.592   1.276
   34   2HB   TYR   5           HB1      TYR   5  78.213   1.785   1.516
   35    HD1  TYR   5           HD1      TYR   5  79.274   1.112   4.542
   36    HD2  TYR   5           HD2      TYR   5  78.590   4.653   2.207
   37    HE1  TYR   5           HE1      TYR   5  78.911   2.412   6.620
   38    HE2  TYR   5           HE2      TYR   5  78.230   5.953   4.287
   39    HH   TYR   5           HH       TYR   5  79.181   5.032   7.219
   40    H    LYS   6           HN       LYS   6  82.122   0.479   1.034
   41    HA   LYS   6           HA       LYS   6  81.145  -0.470  -1.510
   42   1HB   LYS   6           HB2      LYS   6  83.317   0.747  -0.910
   43   2HB   LYS   6           HB1      LYS   6  83.913  -0.809  -0.331
   44   1HG   LYS   6           HG2      LYS   6  84.617  -1.053  -2.488
   45   2HG   LYS   6           HG1      LYS   6  82.942  -1.530  -2.769
   46   1HD   LYS   6           HD2      LYS   6  82.466   0.374  -3.913
   47   2HD   LYS   6           HD1      LYS   6  83.383   1.383  -2.794
   48   1HE   LYS   6           HE2      LYS   6  85.494   0.676  -3.857
   49   2HE   LYS   6           HE1      LYS   6  84.587  -0.361  -4.975
   50   1HZ   LYS   6           HZ3      LYS   6  83.234   1.887  -5.248
   51   2HZ   LYS   6           HZ2      LYS   6  84.749   2.551  -4.864
   52   3HZ   LYS   6           HZ1      LYS   6  84.583   1.526  -6.209
   53    H    ALA   7           HN       ALA   7  82.602  -2.104   1.310
   54    HA   ALA   7           HA       ALA   7  82.621  -4.744   0.140
   55   1HB   ALA   7           HB1      ALA   7  83.478  -3.421   2.470
   56   2HB   ALA   7           HB3      ALA   7  82.347  -4.653   3.034
   57   3HB   ALA   7           HB2      ALA   7  83.748  -5.118   2.067
   58    H    ALA   8           HN       ALA   8  80.177  -2.816   1.750
   59    HA   ALA   8           HA       ALA   8  78.367  -4.709   2.727
   60   1HB   ALA   8           HB2      ALA   8  78.394  -1.963   1.788
   61   2HB   ALA   8           HB1      ALA   8  76.863  -2.739   1.384
   62   3HB   ALA   8           HB3      ALA   8  77.410  -2.687   3.061
   63    H    VAL   9           HN       VAL   9  78.621  -3.513  -0.640
   64    HA   VAL   9           HA       VAL   9  76.585  -5.391  -1.598
   65    HB   VAL   9           HB       VAL   9  78.577  -3.693  -3.131
   66   1HG1  VAL   9          HG13      VAL   9  76.370  -5.415  -3.854
   67   2HG1  VAL   9          HG12      VAL   9  76.023  -3.755  -4.334
   68   3HG1  VAL   9          HG11      VAL   9  77.489  -4.550  -4.907
   69   1HG2  VAL   9          HG22      VAL   9  75.883  -2.961  -1.938
   70   2HG2  VAL   9          HG21      VAL   9  77.448  -2.279  -1.496
   71   3HG2  VAL   9          HG23      VAL   9  76.767  -1.961  -3.091
   72    H    GLU  10           HN       GLU  10  80.134  -5.138  -1.690
   73    HA   GLU  10           HA       GLU  10  80.654  -7.303  -3.475
   74   1HB   GLU  10           HB2      GLU  10  82.051  -5.439  -1.916
   75   2HB   GLU  10           HB1      GLU  10  82.581  -7.007  -1.308
   76   1HG   GLU  10           HG2      GLU  10  84.051  -6.442  -3.122
   77   2HG   GLU  10           HG1      GLU  10  82.961  -7.691  -3.724
   78    H    GLN  11           HN       GLN  11  79.433  -7.295  -0.252
   79    HA   GLN  11           HA       GLN  11  80.365 -10.023   0.381
   80   1HB   GLN  11           HB2      GLN  11  78.705  -7.880   1.709
   81   2HB   GLN  11           HB1      GLN  11  78.812  -9.499   2.400
   82   1HG   GLN  11           HG2      GLN  11  81.198  -9.333   2.632
   83   2HG   GLN  11           HG1      GLN  11  81.245  -7.847   1.684
   84   1HE2  GLN  11          HE21      GLN  11  82.314  -7.872   4.313
   85   2HE2  GLN  11          HE22      GLN  11  81.323  -6.931   5.320
   86    H    LEU  12           HN       LEU  12  77.204  -8.402  -0.133
   87    HA   LEU  12           HA       LEU  12  75.510 -10.635   0.036
   88   1HB   LEU  12           HB2      LEU  12  75.478  -8.160  -1.715
   89   2HB   LEU  12           HB1      LEU  12  74.102  -9.255  -1.577
   90    HG   LEU  12           HG       LEU  12  75.401  -7.669   0.652
   91   1HD1  LEU  12          HD13      LEU  12  73.741  -6.546  -0.907
   92   2HD1  LEU  12          HD12      LEU  12  72.534  -7.692  -0.323
   93   3HD1  LEU  12          HD11      LEU  12  73.279  -6.549   0.794
   94   1HD2  LEU  12          HD23      LEU  12  73.580 -10.043   0.663
   95   2HD2  LEU  12          HD22      LEU  12  74.851  -9.602   1.804
   96   3HD2  LEU  12          HD21      LEU  12  73.293  -8.776   1.856
   97    H    THR  13           HN       THR  13  75.161 -12.401  -1.279
   98    HA   THR  13           HA       THR  13  76.914 -12.804  -3.608
   99    HB   THR  13           HB       THR  13  75.769 -15.060  -3.535
  100    HG1  THR  13           HG1      THR  13  74.135 -15.347  -2.225
  101   1HG2  THR  13          HG21      THR  13  77.202 -13.808  -1.230
  102   2HG2  THR  13          HG23      THR  13  76.551 -15.434  -1.022
  103   3HG2  THR  13          HG22      THR  13  77.723 -15.109  -2.300
  104    H    GLU  14           HN       GLU  14  75.705 -13.929  -5.570
  105    HA   GLU  14           HA       GLU  14  74.003 -11.985  -6.807
  106   1HB   GLU  14           HB2      GLU  14  74.855 -14.824  -7.342
  107   2HB   GLU  14           HB1      GLU  14  73.673 -14.045  -8.394
  108   1HG   GLU  14           HG2      GLU  14  75.197 -12.517  -9.212
  109   2HG   GLU  14           HG1      GLU  14  76.157 -12.524  -7.732
  110    H    GLU  15           HN       GLU  15  73.315 -14.985  -5.042
  111    HA   GLU  15           HA       GLU  15  70.494 -15.072  -5.713
  112   1HB   GLU  15           HB2      GLU  15  72.452 -16.437  -3.957
  113   2HB   GLU  15           HB1      GLU  15  70.777 -16.501  -3.405
  114   1HG   GLU  15           HG2      GLU  15  70.070 -17.718  -5.242
  115   2HG   GLU  15           HG1      GLU  15  71.331 -17.068  -6.289
  116    H    GLN  16           HN       GLN  16  72.390 -13.658  -3.069
  117    HA   GLN  16           HA       GLN  16  70.051 -12.918  -1.482
  118   1HB   GLN  16           HB2      GLN  16  73.015 -12.578  -1.445
  119   2HB   GLN  16           HB1      GLN  16  72.067 -11.430  -0.500
  120   1HG   GLN  16           HG2      GLN  16  70.835 -13.713   0.234
  121   2HG   GLN  16           HG1      GLN  16  72.444 -14.353  -0.102
  122   1HE2  GLN  16          HE22      GLN  16  73.584 -13.246   3.031
  123   2HE2  GLN  16          HE21      GLN  16  73.583 -14.455   1.837
  124    H    LYS  17           HN       LYS  17  71.578 -11.636  -4.262
  125    HA   LYS  17           HA       LYS  17  70.766  -8.837  -3.719
  126   1HB   LYS  17           HB2      LYS  17  72.786 -10.147  -5.150
  127   2HB   LYS  17           HB1      LYS  17  71.723  -9.487  -6.395
  128   1HG   LYS  17           HG2      LYS  17  71.800  -7.316  -4.918
  129   2HG   LYS  17           HG1      LYS  17  73.274  -8.037  -4.271
  130   1HD   LYS  17           HD2      LYS  17  72.846  -7.856  -7.246
  131   2HD   LYS  17           HD1      LYS  17  73.468  -6.472  -6.346
  132   1HE   LYS  17           HE2      LYS  17  75.263  -7.992  -5.405
  133   2HE   LYS  17           HE1      LYS  17  74.712  -9.234  -6.547
  134   1HZ   LYS  17           HZ3      LYS  17  74.879  -7.404  -8.283
  135   2HZ   LYS  17           HZ2      LYS  17  75.804  -6.548  -7.142
  136   3HZ   LYS  17           HZ1      LYS  17  76.340  -8.055  -7.717
  137    H    ASN  18           HN       ASN  18  69.606 -11.671  -5.370
  138    HA   ASN  18           HA       ASN  18  67.883 -10.332  -7.281
  139   1HB   ASN  18           HB2      ASN  18  68.464 -13.049  -6.261
  140   2HB   ASN  18           HB1      ASN  18  66.833 -12.827  -6.894
  141   1HD2  ASN  18          HD22      ASN  18  69.847 -11.934  -9.552
  142   2HD2  ASN  18          HD21      ASN  18  69.963 -11.381  -7.952
  143    H    GLU  19           HN       GLU  19  67.492 -11.508  -3.958
  144    HA   GLU  19           HA       GLU  19  64.630 -11.258  -3.820
  145   1HB   GLU  19           HB2      GLU  19  65.776 -12.576  -2.203
  146   2HB   GLU  19           HB1      GLU  19  66.907 -11.275  -1.834
  147   1HG   GLU  19           HG2      GLU  19  65.314 -10.060  -0.613
  148   2HG   GLU  19           HG1      GLU  19  63.958 -10.892  -1.376
  149    H    PHE  20           HN       PHE  20  67.235  -9.066  -2.679
  150    HA   PHE  20           HA       PHE  20  65.497  -6.948  -1.847
  151   1HB   PHE  20           HB2      PHE  20  68.339  -7.495  -2.269
  152   2HB   PHE  20           HB1      PHE  20  67.924  -5.816  -2.620
  153    HD1  PHE  20           HD1      PHE  20  65.765  -5.215  -0.776
  154    HD2  PHE  20           HD2      PHE  20  69.309  -7.557  -0.138
  155    HE1  PHE  20           HE1      PHE  20  65.643  -4.738   1.654
  156    HE2  PHE  20           HE2      PHE  20  69.187  -7.080   2.293
  157    HZ   PHE  20           HZ       PHE  20  67.354  -5.670   3.190
  158    H    LYS  21           HN       LYS  21  67.085  -7.647  -4.957
  159    HA   LYS  21           HA       LYS  21  66.449  -5.203  -6.292
  160   1HB   LYS  21           HB2      LYS  21  68.064  -6.878  -7.082
  161   2HB   LYS  21           HB1      LYS  21  66.764  -8.050  -7.299
  162   1HG   LYS  21           HG2      LYS  21  65.794  -6.803  -9.079
  163   2HG   LYS  21           HG1      LYS  21  66.758  -5.374  -8.704
  164   1HD   LYS  21           HD2      LYS  21  68.762  -6.389  -9.491
  165   2HD   LYS  21           HD1      LYS  21  68.028  -7.993  -9.517
  166   1HE   LYS  21           HE2      LYS  21  66.759  -7.520 -11.449
  167   2HE   LYS  21           HE1      LYS  21  66.919  -5.766 -11.232
  168   1HZ   LYS  21           HZ3      LYS  21  69.467  -6.441 -11.311
  169   2HZ   LYS  21           HZ2      LYS  21  68.847  -7.687 -12.285
  170   3HZ   LYS  21           HZ1      LYS  21  68.592  -6.064 -12.714
  171    H    ALA  22           HN       ALA  22  64.554  -8.112  -5.664
  172    HA   ALA  22           HA       ALA  22  62.430  -7.603  -7.539
  173   1HB   ALA  22           HB2      ALA  22  62.973  -9.760  -6.383
  174   2HB   ALA  22           HB1      ALA  22  62.397  -9.054  -4.872
  175   3HB   ALA  22           HB3      ALA  22  61.278  -9.304  -6.212
  176    H    ALA  23           HN       ALA  23  62.554  -7.080  -3.986
  177    HA   ALA  23           HA       ALA  23  60.083  -5.654  -3.807
  178   1HB   ALA  23           HB3      ALA  23  62.606  -5.840  -2.159
  179   2HB   ALA  23           HB2      ALA  23  61.259  -4.826  -1.643
  180   3HB   ALA  23           HB1      ALA  23  61.031  -6.564  -1.836
  181    H    PHE  24           HN       PHE  24  63.043  -4.706  -5.208
  182    HA   PHE  24           HA       PHE  24  62.761  -1.832  -4.620
  183   1HB   PHE  24           HB2      PHE  24  64.959  -2.862  -4.753
  184   2HB   PHE  24           HB1      PHE  24  64.605  -3.497  -6.361
  185    HD1  PHE  24           HD1      PHE  24  65.153  -0.386  -4.406
  186    HD2  PHE  24           HD2      PHE  24  64.803  -2.134  -8.314
  187    HE1  PHE  24           HE1      PHE  24  65.970   1.723  -5.423
  188    HE2  PHE  24           HE2      PHE  24  65.621  -0.026  -9.331
  189    HZ   PHE  24           HZ       PHE  24  66.206   1.903  -7.885
  190    H    ASP  25           HN       ASP  25  62.513  -3.970  -7.480
  191    HA   ASP  25           HA       ASP  25  61.786  -1.927  -9.353
  192   1HB   ASP  25           HB2      ASP  25  62.319  -4.671  -9.295
  193   2HB   ASP  25           HB1      ASP  25  60.650  -4.563  -9.860
  194    H    ILE  26           HN       ILE  26  60.039  -3.140  -6.709
  195    HA   ILE  26           HA       ILE  26  57.371  -3.120  -7.858
  196    HB   ILE  26           HB       ILE  26  58.365  -2.872  -5.003
  197   1HG1  ILE  26          HG12      ILE  26  57.786  -5.213  -6.826
  198   2HG1  ILE  26          HG11      ILE  26  59.234  -4.901  -5.873
  199   1HG2  ILE  26          HG22      ILE  26  55.970  -2.213  -5.410
  200   2HG2  ILE  26          HG21      ILE  26  55.687  -3.827  -6.059
  201   3HG2  ILE  26          HG23      ILE  26  56.146  -3.625  -4.369
  202   1HD1  ILE  26          HD12      ILE  26  57.903  -5.199  -3.794
  203   2HD1  ILE  26          HD11      ILE  26  56.494  -5.591  -4.780
  204   3HD1  ILE  26          HD13      ILE  26  57.904  -6.650  -4.797
  205    H    PHE  27           HN       PHE  27  59.495  -0.662  -6.520
  206    HA   PHE  27           HA       PHE  27  57.363   1.363  -7.051
  207   1HB   PHE  27           HB2      PHE  27  58.910   0.831  -4.516
  208   2HB   PHE  27           HB1      PHE  27  58.212   2.419  -4.838
  209    HD1  PHE  27           HD2      PHE  27  55.705   2.504  -5.476
  210    HD2  PHE  27           HD1      PHE  27  57.575  -0.887  -3.620
  211    HE1  PHE  27           HE2      PHE  27  53.484   1.683  -4.741
  212    HE2  PHE  27           HE1      PHE  27  55.354  -1.710  -2.884
  213    HZ   PHE  27           HZ       PHE  27  53.308  -0.425  -3.445
  214    H    VAL  28           HN       VAL  28  59.307   1.119  -8.898
  215    HA   VAL  28           HA       VAL  28  61.481   3.037  -8.170
  216    HB   VAL  28           HB       VAL  28  61.185   1.331 -10.655
  217   1HG1  VAL  28          HG13      VAL  28  62.875   3.171 -10.651
  218   2HG1  VAL  28          HG12      VAL  28  63.624   2.436  -9.233
  219   3HG1  VAL  28          HG11      VAL  28  63.607   1.571 -10.770
  220   1HG2  VAL  28          HG23      VAL  28  62.284   0.643  -7.921
  221   2HG2  VAL  28          HG22      VAL  28  61.061  -0.229  -8.845
  222   3HG2  VAL  28          HG21      VAL  28  62.744  -0.243  -9.374
  223    H    LEU  29           HN       LEU  29  58.467   3.323  -9.223
  224    HA   LEU  29           HA       LEU  29  58.878   4.934 -11.640
  225   1HB   LEU  29           HB2      LEU  29  56.526   4.923 -11.758
  226   2HB   LEU  29           HB1      LEU  29  56.901   3.389 -10.987
  227    HG   LEU  29           HG       LEU  29  55.107   4.298  -9.731
  228   1HD1  LEU  29          HD13      LEU  29  57.733   4.868  -8.352
  229   2HD1  LEU  29          HD12      LEU  29  56.181   4.962  -7.529
  230   3HD1  LEU  29          HD11      LEU  29  56.725   3.432  -8.213
  231   1HD2  LEU  29          HD21      LEU  29  55.884   6.722 -10.710
  232   2HD2  LEU  29          HD23      LEU  29  54.695   6.511  -9.424
  233   3HD2  LEU  29          HD22      LEU  29  56.375   6.870  -9.021
  234    H    GLY  30           HN       GLY  30  59.574   5.601  -8.519
  235   1HA   GLY  30           HA2      GLY  30  58.660   8.442  -8.739
  236   2HA   GLY  30           HA1      GLY  30  58.960   7.626  -7.204
  237    H    ALA  31           HN       ALA  31  60.813   8.033 -10.245
  238    HA   ALA  31           HA       ALA  31  62.866   9.661  -9.062
  239   1HB   ALA  31           HB2      ALA  31  63.027   7.374  -7.875
  240   2HB   ALA  31           HB1      ALA  31  63.636   6.758  -9.411
  241   3HB   ALA  31           HB3      ALA  31  64.519   8.022  -8.556
  242    H    GLU  32           HN       GLU  32  65.029   8.245 -10.562
  243    HA   GLU  32           HA       GLU  32  64.582   9.451 -13.162
  244   1HB   GLU  32           HB2      GLU  32  66.828   8.343 -13.584
  245   2HB   GLU  32           HB1      GLU  32  66.780   9.382 -12.160
  246   1HG   GLU  32           HG2      GLU  32  66.816   7.588 -10.680
  247   2HG   GLU  32           HG1      GLU  32  66.122   6.472 -11.857
  248    H    ASP  33           HN       ASP  33  66.133   6.625 -13.911
  249    HA   ASP  33           HA       ASP  33  63.588   5.361 -14.866
  250   1HB   ASP  33           HB2      ASP  33  65.309   6.439 -16.470
  251   2HB   ASP  33           HB1      ASP  33  66.340   5.061 -16.078
  252    H    GLY  34           HN       GLY  34  65.175   4.912 -12.297
  253   1HA   GLY  34           HA2      GLY  34  64.899   2.091 -12.128
  254   2HA   GLY  34           HA1      GLY  34  66.599   2.448 -12.441
  255    H    CYS  35           HN       CYS  35  64.398   4.491 -10.587
  256    HA   CYS  35           HA       CYS  35  65.824   3.722  -8.071
  257   1HB   CYS  35           HB2      CYS  35  65.497   6.433  -9.370
  258   2HB   CYS  35           HB1      CYS  35  65.825   6.275  -7.645
  259    HG   CYS  35           HG       CYS  35  67.768   4.912  -9.667
  260    H    ILE  36           HN       ILE  36  64.578   4.381  -6.124
  261    HA   ILE  36           HA       ILE  36  61.645   4.572  -6.719
  262    HB   ILE  36           HB       ILE  36  61.361   3.352  -4.640
  263   1HG1  ILE  36          HG12      ILE  36  64.370   3.594  -4.324
  264   2HG1  ILE  36          HG11      ILE  36  63.186   4.530  -3.410
  265   1HG2  ILE  36          HG23      ILE  36  63.631   2.252  -6.323
  266   2HG2  ILE  36          HG22      ILE  36  62.726   1.308  -5.139
  267   3HG2  ILE  36          HG21      ILE  36  61.907   1.961  -6.558
  268   1HD1  ILE  36          HD13      ILE  36  62.834   1.573  -3.431
  269   2HD1  ILE  36          HD12      ILE  36  64.189   2.209  -2.497
  270   3HD1  ILE  36          HD11      ILE  36  62.544   2.731  -2.133
  271    H    SER  37           HN       SER  37  60.391   5.756  -4.985
  272    HA   SER  37           HA       SER  37  61.699   8.323  -4.385
  273   1HB   SER  37           HB2      SER  37  59.289   7.800  -5.232
  274   2HB   SER  37           HB1      SER  37  58.941   7.429  -3.546
  275    HG   SER  37           HG       SER  37  58.581   9.539  -3.587
  276    H    THR  38           HN       THR  38  62.743   8.673  -2.468
  277    HA   THR  38           HA       THR  38  63.208   6.927  -0.391
  278    HB   THR  38           HB       THR  38  63.335   9.104   1.002
  279    HG1  THR  38           HG1      THR  38  63.112  10.976  -0.298
  280   1HG2  THR  38          HG21      THR  38  64.726   8.746  -1.658
  281   2HG2  THR  38          HG23      THR  38  65.190   9.995  -0.503
  282   3HG2  THR  38          HG22      THR  38  65.316   8.293  -0.059
  283    H    LYS  39           HN       LYS  39  60.324   8.980  -0.778
  284    HA   LYS  39           HA       LYS  39  59.108   8.504   1.748
  285   1HB   LYS  39           HB2      LYS  39  57.890   8.889  -1.007
  286   2HB   LYS  39           HB1      LYS  39  57.051   9.148   0.522
  287   1HG   LYS  39           HG2      LYS  39  58.908  10.804   1.105
  288   2HG   LYS  39           HG1      LYS  39  59.401  10.694  -0.585
  289   1HD   LYS  39           HD2      LYS  39  56.637  11.072  -0.703
  290   2HD   LYS  39           HD1      LYS  39  57.167  12.147   0.591
  291   1HE   LYS  39           HE2      LYS  39  58.665  12.065  -2.031
  292   2HE   LYS  39           HE1      LYS  39  57.225  13.084  -1.834
  293   1HZ   LYS  39           HZ2      LYS  39  59.355  13.067   0.209
  294   2HZ   LYS  39           HZ1      LYS  39  59.492  14.058  -1.165
  295   3HZ   LYS  39           HZ3      LYS  39  58.187  14.261  -0.101
  296    H    GLU  40           HN       GLU  40  59.035   6.612  -1.267
  297    HA   GLU  40           HA       GLU  40  57.185   4.617  -0.166
  298   1HB   GLU  40           HB2      GLU  40  58.906   4.767  -2.664
  299   2HB   GLU  40           HB1      GLU  40  57.694   3.520  -2.364
  300   1HG   GLU  40           HG2      GLU  40  55.927   5.190  -2.273
  301   2HG   GLU  40           HG1      GLU  40  57.107   6.494  -2.420
  302    H    LEU  41           HN       LEU  41  60.650   5.076  -0.432
  303    HA   LEU  41           HA       LEU  41  61.773   2.562  -0.279
  304   1HB   LEU  41           HB2      LEU  41  62.970   4.719  -0.182
  305   2HB   LEU  41           HB1      LEU  41  62.370   4.982   1.456
  306    HG   LEU  41           HG       LEU  41  63.487   2.784   2.086
  307   1HD1  LEU  41          HD13      LEU  41  63.758   2.508  -0.640
  308   2HD1  LEU  41          HD12      LEU  41  65.368   3.045  -0.161
  309   3HD1  LEU  41          HD11      LEU  41  64.672   1.593   0.559
  310   1HD2  LEU  41          HD23      LEU  41  64.461   5.365   1.990
  311   2HD2  LEU  41          HD22      LEU  41  65.260   4.015   2.797
  312   3HD2  LEU  41          HD21      LEU  41  65.720   4.457   1.152
  313    H    GLY  42           HN       GLY  42  59.759   4.103   2.152
  314   1HA   GLY  42           HA2      GLY  42  60.451   2.475   4.392
  315   2HA   GLY  42           HA1      GLY  42  58.905   3.299   4.184
  316    H    LYS  43           HN       LYS  43  57.358   2.190   2.624
  317    HA   LYS  43           HA       LYS  43  56.674  -0.392   3.430
  318   1HB   LYS  43           HB2      LYS  43  55.213  -0.357   1.516
  319   2HB   LYS  43           HB1      LYS  43  55.394   1.318   2.039
  320   1HG   LYS  43           HG2      LYS  43  57.518   1.006   0.305
  321   2HG   LYS  43           HG1      LYS  43  56.255   0.040  -0.460
  322   1HD   LYS  43           HD2      LYS  43  55.261   2.597   0.572
  323   2HD   LYS  43           HD1      LYS  43  56.511   2.793  -0.658
  324   1HE   LYS  43           HE2      LYS  43  54.874   2.431  -2.193
  325   2HE   LYS  43           HE1      LYS  43  54.869   0.742  -1.650
  326   1HZ   LYS  43           HZ2      LYS  43  53.462   1.656   0.282
  327   2HZ   LYS  43           HZ1      LYS  43  53.168   2.976  -0.746
  328   3HZ   LYS  43           HZ3      LYS  43  52.708   1.415  -1.221
  329    H    VAL  44           HN       VAL  44  59.145   0.570   1.142
  330    HA   VAL  44           HA       VAL  44  59.433  -1.933  -0.253
  331    HB   VAL  44           HB       VAL  44  61.085   0.530   0.262
  332   1HG1  VAL  44          HG12      VAL  44  62.012  -1.927  -1.260
  333   2HG1  VAL  44          HG11      VAL  44  62.849  -0.375  -1.212
  334   3HG1  VAL  44          HG13      VAL  44  62.696  -1.340   0.256
  335   1HG2  VAL  44          HG23      VAL  44  59.251   0.526  -1.418
  336   2HG2  VAL  44          HG22      VAL  44  60.829   0.777  -2.165
  337   3HG2  VAL  44          HG21      VAL  44  60.050  -0.802  -2.259
  338    H    MET  45           HN       MET  45  60.888  -0.624   2.721
  339    HA   MET  45           HA       MET  45  62.625  -2.959   3.093
  340   1HB   MET  45           HB2      MET  45  61.929  -0.425   4.560
  341   2HB   MET  45           HB1      MET  45  62.837  -1.690   5.389
  342   1HG   MET  45           HG2      MET  45  63.899  -1.216   2.726
  343   2HG   MET  45           HG1      MET  45  63.891   0.265   3.682
  344   1HE   MET  45           HE2      MET  45  65.937   0.899   4.462
  345   2HE   MET  45           HE1      MET  45  65.134   0.575   5.996
  346   3HE   MET  45           HE3      MET  45  66.819   0.094   5.757
  347    H    ARG  46           HN       ARG  46  59.563  -1.738   4.435
  348    HA   ARG  46           HA       ARG  46  59.283  -3.744   6.488
  349   1HB   ARG  46           HB2      ARG  46  57.197  -2.133   4.982
  350   2HB   ARG  46           HB1      ARG  46  56.993  -2.871   6.571
  351   1HG   ARG  46           HG2      ARG  46  59.335  -1.354   6.796
  352   2HG   ARG  46           HG1      ARG  46  58.231  -0.334   5.871
  353   1HD   ARG  46           HD2      ARG  46  56.554  -0.431   7.586
  354   2HD   ARG  46           HD1      ARG  46  57.412  -1.729   8.440
  355    HE   ARG  46           HE       ARG  46  59.044  -0.129   9.175
  356   1HH1  ARG  46          HH21      ARG  46  59.724   1.597   7.065
  357   2HH1  ARG  46          HH22      ARG  46  58.829   3.054   7.341
  358   1HH2  ARG  46          HH11      ARG  46  56.573   1.569   9.517
  359   2HH2  ARG  46          HH12      ARG  46  57.046   3.038   8.730
  360    H    MET  47           HN       MET  47  58.341  -3.590   3.076
  361    HA   MET  47           HA       MET  47  56.797  -6.087   3.202
  362   1HB   MET  47           HB2      MET  47  57.754  -4.243   0.992
  363   2HB   MET  47           HB1      MET  47  56.753  -5.665   0.694
  364   1HG   MET  47           HG2      MET  47  54.905  -4.763   1.801
  365   2HG   MET  47           HG1      MET  47  55.892  -3.653   2.752
  366   1HE   MET  47           HE1      MET  47  55.350  -4.876  -0.659
  367   2HE   MET  47           HE3      MET  47  54.943  -3.494  -1.686
  368   3HE   MET  47           HE2      MET  47  56.625  -3.841  -1.297
  369    H    LEU  48           HN       LEU  48  60.080  -5.157   2.750
  370    HA   LEU  48           HA       LEU  48  60.801  -7.702   1.396
  371   1HB   LEU  48           HB2      LEU  48  61.920  -5.903   0.428
  372   2HB   LEU  48           HB1      LEU  48  62.025  -5.020   1.947
  373    HG   LEU  48           HG       LEU  48  64.206  -6.012   0.991
  374   1HD1  LEU  48          HD11      LEU  48  63.303  -5.522   3.578
  375   2HD1  LEU  48          HD13      LEU  48  64.052  -7.116   3.686
  376   3HD1  LEU  48          HD12      LEU  48  64.984  -5.744   3.088
  377   1HD2  LEU  48          HD23      LEU  48  62.630  -8.373   1.130
  378   2HD2  LEU  48          HD22      LEU  48  64.328  -8.237   0.680
  379   3HD2  LEU  48          HD21      LEU  48  63.883  -8.522   2.362
  380    H    GLY  49           HN       GLY  49  61.156  -6.001   4.484
  381   1HA   GLY  49           HA2      GLY  49  61.316  -8.214   6.138
  382   2HA   GLY  49           HA1      GLY  49  62.982  -7.970   5.612
  383    H    GLN  50           HN       GLN  50  63.695  -5.548   5.807
  384    HA   GLN  50           HA       GLN  50  63.769  -4.780   8.510
  385   1HB   GLN  50           HB2      GLN  50  64.598  -3.826   5.940
  386   2HB   GLN  50           HB1      GLN  50  63.922  -2.465   6.836
  387   1HG   GLN  50           HG2      GLN  50  66.253  -2.570   7.405
  388   2HG   GLN  50           HG1      GLN  50  65.364  -3.183   8.800
  389   1HE2  GLN  50          HE22      GLN  50  68.026  -5.668   8.230
  390   2HE2  GLN  50          HE21      GLN  50  67.901  -4.074   8.799
  391    H    ASN  51           HN       ASN  51  62.362  -3.659   9.832
  392    HA   ASN  51           HA       ASN  51  59.995  -2.331   8.556
  393   1HB   ASN  51           HB2      ASN  51  58.607  -3.346  10.277
  394   2HB   ASN  51           HB1      ASN  51  59.554  -4.623   9.513
  395   1HD2  ASN  51          HD22      ASN  51  59.804  -4.779  13.315
  396   2HD2  ASN  51          HD21      ASN  51  58.463  -4.627  12.286
  397    HA   PRO  52           HA       PRO  52  62.244   0.210  11.835
  398   1HB   PRO  52           HB2      PRO  52  63.315   2.111  10.184
  399   2HB   PRO  52           HB1      PRO  52  64.170   0.617  10.620
  400   1HG   PRO  52           HG2      PRO  52  62.702   1.298   8.125
  401   2HG   PRO  52           HG1      PRO  52  64.192   0.368   8.342
  402   1HD   PRO  52           HD2      PRO  52  61.738  -0.759   7.893
  403   2HD   PRO  52           HD1      PRO  52  63.069  -1.581   8.737
  404    H    THR  53           HN       THR  53  62.140   2.990  11.396
  405    HA   THR  53           HA       THR  53  59.194   3.402  11.107
  406    HB   THR  53           HB       THR  53  60.322   5.686  12.198
  407    HG1  THR  53           HG1      THR  53  61.594   3.590  13.527
  408   1HG2  THR  53          HG22      THR  53  58.584   3.612  12.950
  409   2HG2  THR  53          HG21      THR  53  59.781   3.705  14.242
  410   3HG2  THR  53          HG23      THR  53  58.846   5.134  13.802
  411    HA   PRO  54           HA       PRO  54  59.781   5.852   7.513
  412   1HB   PRO  54           HB2      PRO  54  57.771   7.685   7.794
  413   2HB   PRO  54           HB1      PRO  54  57.476   5.985   7.378
  414   1HG   PRO  54           HG2      PRO  54  57.182   7.373   9.988
  415   2HG   PRO  54           HG1      PRO  54  56.197   6.088   9.274
  416   1HD   PRO  54           HD2      PRO  54  58.081   5.681  11.228
  417   2HD   PRO  54           HD1      PRO  54  57.546   4.435  10.080
  418    H    GLU  55           HN       GLU  55  59.532   7.556  10.609
  419    HA   GLU  55           HA       GLU  55  60.517  10.106   9.710
  420   1HB   GLU  55           HB2      GLU  55  60.332   8.634  12.340
  421   2HB   GLU  55           HB1      GLU  55  61.035  10.249  12.248
  422   1HG   GLU  55           HG2      GLU  55  59.024  11.249  11.808
  423   2HG   GLU  55           HG1      GLU  55  58.434   9.880  10.865
  424    H    GLU  56           HN       GLU  56  62.147   7.269  11.156
  425    HA   GLU  56           HA       GLU  56  64.766   8.378  11.328
  426   1HB   GLU  56           HB2      GLU  56  63.640   5.594  10.965
  427   2HB   GLU  56           HB1      GLU  56  65.369   5.877  11.169
  428   1HG   GLU  56           HG2      GLU  56  63.202   6.749  13.103
  429   2HG   GLU  56           HG1      GLU  56  64.301   5.390  13.337
  430    H    LEU  57           HN       LEU  57  63.086   6.747   8.647
  431    HA   LEU  57           HA       LEU  57  65.312   6.507   6.870
  432   1HB   LEU  57           HB2      LEU  57  62.424   6.235   6.891
  433   2HB   LEU  57           HB1      LEU  57  62.964   6.956   5.374
  434    HG   LEU  57           HG       LEU  57  64.637   5.120   5.139
  435   1HD1  LEU  57          HD13      LEU  57  63.396   4.345   7.757
  436   2HD1  LEU  57          HD12      LEU  57  63.959   3.073   6.674
  437   3HD1  LEU  57          HD11      LEU  57  65.089   4.291   7.263
  438   1HD2  LEU  57          HD23      LEU  57  62.224   5.061   4.232
  439   2HD2  LEU  57          HD22      LEU  57  63.076   3.521   4.333
  440   3HD2  LEU  57          HD21      LEU  57  61.882   3.949   5.558
  441    H    GLN  58           HN       GLN  58  62.643   8.878   6.560
  442    HA   GLN  58           HA       GLN  58  63.700  10.627   4.711
  443   1HB   GLN  58           HB2      GLN  58  61.549  10.596   6.293
  444   2HB   GLN  58           HB1      GLN  58  62.496  11.775   7.200
  445   1HG   GLN  58           HG2      GLN  58  61.256  13.081   5.661
  446   2HG   GLN  58           HG1      GLN  58  62.858  12.953   4.934
  447   1HE2  GLN  58          HE22      GLN  58  61.468  11.616   2.000
  448   2HE2  GLN  58          HE21      GLN  58  62.609  12.648   2.718
  449    H    GLU  59           HN       GLU  59  64.663  10.325   8.103
  450    HA   GLU  59           HA       GLU  59  66.331  12.704   8.143
  451   1HB   GLU  59           HB2      GLU  59  65.703  10.344   9.845
  452   2HB   GLU  59           HB1      GLU  59  67.238  11.152  10.165
  453   1HG   GLU  59           HG2      GLU  59  64.620  12.652   9.940
  454   2HG   GLU  59           HG1      GLU  59  65.240  12.041  11.474
  455    H    MET  60           HN       MET  60  67.074   9.199   7.979
  456    HA   MET  60           HA       MET  60  69.880   9.387   7.695
  457   1HB   MET  60           HB2      MET  60  67.725   7.472   6.838
  458   2HB   MET  60           HB1      MET  60  69.393   7.176   6.342
  459   1HG   MET  60           HG2      MET  60  69.517   7.855   9.078
  460   2HG   MET  60           HG1      MET  60  68.165   6.732   8.921
  461   1HE   MET  60           HE1      MET  60  68.752   5.388   6.444
  462   2HE   MET  60           HE3      MET  60  69.925   4.069   6.576
  463   3HE   MET  60           HE2      MET  60  68.543   4.136   7.667
  464    H    ILE  61           HN       ILE  61  67.459   9.064   5.063
  465    HA   ILE  61           HA       ILE  61  69.067   9.262   2.820
  466    HB   ILE  61           HB       ILE  61  66.365  10.399   3.540
  467   1HG1  ILE  61          HG12      ILE  61  66.610   8.468   1.356
  468   2HG1  ILE  61          HG11      ILE  61  67.296   7.864   2.865
  469   1HG2  ILE  61          HG21      ILE  61  68.024  11.152   1.282
  470   2HG2  ILE  61          HG23      ILE  61  66.564  10.327   0.735
  471   3HG2  ILE  61          HG22      ILE  61  66.437  11.765   1.749
  472   1HD1  ILE  61          HD12      ILE  61  64.571   9.167   2.760
  473   2HD1  ILE  61          HD11      ILE  61  64.790   7.438   2.489
  474   3HD1  ILE  61          HD13      ILE  61  65.247   8.152   4.036
  475    H    ASP  62           HN       ASP  62  68.136  11.897   5.010
  476    HA   ASP  62           HA       ASP  62  69.205  14.044   3.396
  477   1HB   ASP  62           HB2      ASP  62  67.510  14.102   5.310
  478   2HB   ASP  62           HB1      ASP  62  68.882  13.931   6.406
  479    H    GLU  63           HN       GLU  63  70.607  11.784   5.691
  480    HA   GLU  63           HA       GLU  63  73.136  13.334   5.839
  481   1HB   GLU  63           HB2      GLU  63  72.330  10.683   7.077
  482   2HB   GLU  63           HB1      GLU  63  73.684  11.703   7.566
  483   1HG   GLU  63           HG2      GLU  63  70.779  12.569   7.649
  484   2HG   GLU  63           HG1      GLU  63  71.675  11.962   9.042
  485    H    VAL  64           HN       VAL  64  71.898  10.224   4.623
  486    HA   VAL  64           HA       VAL  64  74.546   9.571   3.456
  487    HB   VAL  64           HB       VAL  64  72.927   8.000   4.718
  488   1HG1  VAL  64          HG12      VAL  64  70.912   8.761   3.433
  489   2HG1  VAL  64          HG11      VAL  64  71.585   7.982   2.001
  490   3HG1  VAL  64          HG13      VAL  64  71.139   7.012   3.406
  491   1HG2  VAL  64          HG22      VAL  64  74.813   7.565   2.734
  492   2HG2  VAL  64          HG21      VAL  64  74.092   6.314   3.747
  493   3HG2  VAL  64          HG23      VAL  64  73.415   6.660   2.155
  494    H    ASP  65           HN       ASP  65  71.231  10.346   2.457
  495    HA   ASP  65           HA       ASP  65  72.143  10.446  -0.395
  496   1HB   ASP  65           HB2      ASP  65  69.637   9.797   1.070
  497   2HB   ASP  65           HB1      ASP  65  69.440  10.626  -0.475
  498    H    GLU  66           HN       GLU  66  72.768  12.602   1.470
  499    HA   GLU  66           HA       GLU  66  71.044  14.788   1.576
  500   1HB   GLU  66           HB2      GLU  66  73.150  16.119   1.539
  501   2HB   GLU  66           HB1      GLU  66  73.299  14.681   2.549
  502   1HG   GLU  66           HG2      GLU  66  74.353  13.481   0.641
  503   2HG   GLU  66           HG1      GLU  66  74.270  14.964  -0.310
  504    H    ASP  67           HN       ASP  67  72.804  13.543  -1.225
  505    HA   ASP  67           HA       ASP  67  71.588  15.716  -2.899
  506   1HB   ASP  67           HB2      ASP  67  74.219  14.394  -2.732
  507   2HB   ASP  67           HB1      ASP  67  73.603  14.556  -4.378
  508    H    GLY  68           HN       GLY  68  70.553  12.926  -2.026
  509   1HA   GLY  68           HA2      GLY  68  70.486  11.414  -4.532
  510   2HA   GLY  68           HA1      GLY  68  69.617  11.005  -3.052
  511    H    SER  69           HN       SER  69  69.039  14.221  -3.691
  512    HA   SER  69           HA       SER  69  67.146  15.364  -4.530
  513   1HB   SER  69           HB2      SER  69  68.221  13.848  -6.517
  514   2HB   SER  69           HB1      SER  69  66.597  13.167  -6.454
  515    HG   SER  69           HG       SER  69  67.461  15.722  -7.154
  516    H    GLY  70           HN       GLY  70  66.974  12.799  -2.661
  517   1HA   GLY  70           HA2      GLY  70  65.125  12.079  -1.346
  518   2HA   GLY  70           HA1      GLY  70  64.041  12.895  -2.474
  519    H    THR  71           HN       THR  71  66.456  10.829  -3.835
  520    HA   THR  71           HA       THR  71  64.485   8.594  -4.091
  521    HB   THR  71           HB       THR  71  64.987   8.562  -6.523
  522    HG1  THR  71           HG1      THR  71  66.514   9.771  -7.301
  523   1HG2  THR  71          HG23      THR  71  63.261  10.191  -5.251
  524   2HG2  THR  71          HG22      THR  71  64.262  11.405  -6.047
  525   3HG2  THR  71          HG21      THR  71  63.435  10.177  -7.006
  526    H    VAL  72           HN       VAL  72  65.476   6.609  -3.879
  527    HA   VAL  72           HA       VAL  72  68.463   6.572  -3.760
  528    HB   VAL  72           HB       VAL  72  67.835   4.299  -2.575
  529   1HG1  VAL  72          HG12      VAL  72  67.552   7.096  -1.506
  530   2HG1  VAL  72          HG11      VAL  72  67.389   5.695  -0.446
  531   3HG1  VAL  72          HG13      VAL  72  68.900   5.970  -1.314
  532   1HG2  VAL  72          HG21      VAL  72  65.341   4.812  -3.303
  533   2HG2  VAL  72          HG23      VAL  72  65.677   4.084  -1.731
  534   3HG2  VAL  72          HG22      VAL  72  65.347   5.812  -1.851
  535    H    ASP  73           HN       ASP  73  69.580   4.785  -4.717
  536    HA   ASP  73           HA       ASP  73  68.072   3.448  -6.938
  537   1HB   ASP  73           HB2      ASP  73  70.247   3.486  -8.103
  538   2HB   ASP  73           HB1      ASP  73  69.816   5.114  -7.576
  539    H    PHE  74           HN       PHE  74  69.031   1.239  -7.477
  540    HA   PHE  74           HA       PHE  74  68.984  -0.555  -5.347
  541   1HB   PHE  74           HB2      PHE  74  69.090  -0.823  -7.953
  542   2HB   PHE  74           HB1      PHE  74  70.831  -0.943  -7.696
  543    HD1  PHE  74           HD2      PHE  74  67.929  -2.152  -5.655
  544    HD2  PHE  74           HD1      PHE  74  71.438  -3.193  -7.902
  545    HE1  PHE  74           HE2      PHE  74  67.664  -4.520  -4.970
  546    HE2  PHE  74           HE1      PHE  74  71.174  -5.562  -7.217
  547    HZ   PHE  74           HZ       PHE  74  69.287  -6.226  -5.751
  548    H    ASP  75           HN       ASP  75  71.581   1.572  -6.294
  549    HA   ASP  75           HA       ASP  75  73.710   0.149  -4.910
  550   1HB   ASP  75           HB2      ASP  75  73.505   2.116  -6.800
  551   2HB   ASP  75           HB1      ASP  75  73.917   3.063  -5.368
  552    H    GLU  76           HN       GLU  76  71.700   3.021  -4.131
  553    HA   GLU  76           HA       GLU  76  72.926   3.306  -1.484
  554   1HB   GLU  76           HB2      GLU  76  70.548   4.566  -2.885
  555   2HB   GLU  76           HB1      GLU  76  71.160   5.094  -1.317
  556   1HG   GLU  76           HG2      GLU  76  72.658   5.110  -3.951
  557   2HG   GLU  76           HG1      GLU  76  72.142   6.514  -3.016
  558    H    PHE  77           HN       PHE  77  69.654   2.433  -2.673
  559    HA   PHE  77           HA       PHE  77  68.346   1.908  -0.282
  560   1HB   PHE  77           HB2      PHE  77  67.285   1.743  -2.450
  561   2HB   PHE  77           HB1      PHE  77  68.340   0.408  -2.917
  562    HD1  PHE  77           HD2      PHE  77  66.701   0.945   0.383
  563    HD2  PHE  77           HD1      PHE  77  66.790  -1.367  -3.235
  564    HE1  PHE  77           HE2      PHE  77  65.104  -0.671   1.376
  565    HE2  PHE  77           HE1      PHE  77  65.193  -2.983  -2.242
  566    HZ   PHE  77           HZ       PHE  77  64.348  -2.635   0.063
  567    H    LEU  78           HN       LEU  78  70.894  -0.024  -1.784
  568    HA   LEU  78           HA       LEU  78  70.481  -2.277   0.067
  569   1HB   LEU  78           HB2      LEU  78  71.207  -3.004  -2.011
  570   2HB   LEU  78           HB1      LEU  78  72.172  -1.557  -2.292
  571    HG   LEU  78           HG       LEU  78  73.873  -2.327  -0.749
  572   1HD1  LEU  78          HD12      LEU  78  71.897  -3.645   0.546
  573   2HD1  LEU  78          HD11      LEU  78  72.599  -4.986  -0.358
  574   3HD1  LEU  78          HD13      LEU  78  73.603  -4.048   0.747
  575   1HD2  LEU  78          HD23      LEU  78  72.977  -4.519  -2.649
  576   2HD2  LEU  78          HD22      LEU  78  74.035  -3.165  -3.048
  577   3HD2  LEU  78          HD21      LEU  78  74.581  -4.411  -1.925
  578    H    VAL  79           HN       VAL  79  72.764   0.416  -0.397
  579    HA   VAL  79           HA       VAL  79  74.664  -0.326   1.610
  580    HB   VAL  79           HB       VAL  79  73.750   2.398   0.626
  581   1HG1  VAL  79          HG12      VAL  79  76.321   1.484   1.954
  582   2HG1  VAL  79          HG11      VAL  79  76.063   3.083   1.255
  583   3HG1  VAL  79          HG13      VAL  79  75.115   2.568   2.649
  584   1HG2  VAL  79          HG21      VAL  79  74.685   0.403  -0.935
  585   2HG2  VAL  79          HG23      VAL  79  75.065   2.099  -1.234
  586   3HG2  VAL  79          HG22      VAL  79  76.219   1.075  -0.380
  587    H    MET  80           HN       MET  80  71.600   1.445   1.751
  588    HA   MET  80           HA       MET  80  71.805   2.371   4.461
  589   1HB   MET  80           HB2      MET  80  69.806   2.070   2.314
  590   2HB   MET  80           HB1      MET  80  69.121   2.019   3.938
  591   1HG   MET  80           HG2      MET  80  70.665   4.111   4.344
  592   2HG   MET  80           HG1      MET  80  70.618   4.242   2.585
  593   1HE   MET  80           HE2      MET  80  69.000   4.729   1.224
  594   2HE   MET  80           HE1      MET  80  67.423   5.438   1.558
  595   3HE   MET  80           HE3      MET  80  68.898   6.333   1.945
  596    H    MET  81           HN       MET  81  70.973  -0.726   3.048
  597    HA   MET  81           HA       MET  81  69.691  -1.806   5.442
  598   1HB   MET  81           HB2      MET  81  70.243  -2.517   2.682
  599   2HB   MET  81           HB1      MET  81  70.598  -3.871   3.755
  600   1HG   MET  81           HG2      MET  81  68.009  -2.295   3.787
  601   2HG   MET  81           HG1      MET  81  68.221  -3.847   2.980
  602   1HE   MET  81           HE3      MET  81  69.405  -5.596   3.910
  603   2HE   MET  81           HE2      MET  81  69.945  -5.764   5.578
  604   3HE   MET  81           HE1      MET  81  68.402  -6.458   5.086
  605    H    VAL  82           HN       VAL  82  72.750  -2.656   3.759
  606    HA   VAL  82           HA       VAL  82  73.902  -4.328   5.662
  607    HB   VAL  82           HB       VAL  82  76.069  -3.418   4.740
  608   1HG1  VAL  82          HG13      VAL  82  74.775  -5.144   3.533
  609   2HG1  VAL  82          HG12      VAL  82  73.853  -3.881   2.720
  610   3HG1  VAL  82          HG11      VAL  82  75.580  -4.050   2.408
  611   1HG2  VAL  82          HG23      VAL  82  74.155  -1.457   3.436
  612   2HG2  VAL  82          HG22      VAL  82  75.452  -1.067   4.565
  613   3HG2  VAL  82          HG21      VAL  82  75.837  -1.671   2.954
  614    H    ARG  83           HN       ARG  83  73.507  -0.838   5.799
  615    HA   ARG  83           HA       ARG  83  75.251  -0.543   8.159
  616   1HB   ARG  83           HB2      ARG  83  74.904   1.104   6.225
  617   2HB   ARG  83           HB1      ARG  83  73.321   1.438   6.927
  618   1HG   ARG  83           HG2      ARG  83  74.333   2.169   9.008
  619   2HG   ARG  83           HG1      ARG  83  75.934   1.689   8.441
  620   1HD   ARG  83           HD2      ARG  83  76.098   3.488   6.961
  621   2HD   ARG  83           HD1      ARG  83  74.335   3.654   6.814
  622    HE   ARG  83           HE       ARG  83  75.519   4.159   9.486
  623   1HH1  ARG  83          HH11      ARG  83  73.393   5.454  10.022
  624   2HH1  ARG  83          HH12      ARG  83  73.314   6.946   9.146
  625   1HH2  ARG  83          HH21      ARG  83  75.745   6.031   6.847
  626   2HH2  ARG  83          HH22      ARG  83  74.645   7.272   7.347
  627    H    CYS  84           HN       CYS  84  71.801  -0.731   7.398
  628    HA   CYS  84           HA       CYS  84  70.960  -0.041  10.127
  629   1HB   CYS  84           HB2      CYS  84  69.750  -0.742   7.491
  630   2HB   CYS  84           HB1      CYS  84  68.761  -1.027   8.924
  631    HG   CYS  84           HG       CYS  84  68.444   1.417   9.173
  632    H    MET  85           HN       MET  85  72.329  -2.773   8.785
  633    HA   MET  85           HA       MET  85  70.683  -4.875   9.893
  634   1HB   MET  85           HB2      MET  85  73.505  -4.574   8.875
  635   2HB   MET  85           HB1      MET  85  72.973  -6.101   9.580
  636   1HG   MET  85           HG2      MET  85  70.909  -5.327   7.831
  637   2HG   MET  85           HG1      MET  85  72.407  -5.015   6.956
  638   1HE   MET  85           HE3      MET  85  73.986  -6.348   6.286
  639   2HE   MET  85           HE2      MET  85  73.973  -8.101   6.102
  640   3HE   MET  85           HE1      MET  85  72.840  -7.117   5.179
  641    H    LYS  86           HN       LYS  86  70.599  -3.365  12.029
  642    HA   LYS  86           HA       LYS  86  71.162  -3.188  14.320
  643   1HB   LYS  86           HB2      LYS  86  71.896  -5.929  13.379
  644   2HB   LYS  86           HB1      LYS  86  72.422  -5.455  14.994
  645   1HG   LYS  86           HG2      LYS  86  69.570  -5.047  14.095
  646   2HG   LYS  86           HG1      LYS  86  70.104  -6.580  14.785
  647   1HD   LYS  86           HD2      LYS  86  70.633  -5.600  16.866
  648   2HD   LYS  86           HD1      LYS  86  70.662  -3.971  16.189
  649   1HE   LYS  86           HE2      LYS  86  68.581  -4.051  17.323
  650   2HE   LYS  86           HE1      LYS  86  68.133  -4.424  15.646
  651   1HZ   LYS  86           HZ3      LYS  86  68.769  -6.833  16.408
  652   2HZ   LYS  86           HZ2      LYS  86  68.380  -6.227  17.947
  653   3HZ   LYS  86           HZ1      LYS  86  67.219  -6.214  16.707
  654    H    ASP  87           HN       ASP  87  73.370  -3.887  15.777
  655    HA   ASP  87           HA       ASP  87  75.499  -2.230  14.525
  656   1HB   ASP  87           HB2      ASP  87  75.257  -3.329  17.342
  657   2HB   ASP  87           HB1      ASP  87  76.254  -1.976  16.807
  658    H    ASP  88           HN       ASP  88  77.769  -3.133  15.693
  659    HA   ASP  88           HA       ASP  88  77.967  -6.066  15.175
  660   1HB   ASP  88           HB2      ASP  88  79.734  -5.713  13.575
  661   2HB   ASP  88           HB1      ASP  88  78.408  -4.650  13.104
  662    H    SER  89           HN       SER  89  78.270  -3.999  17.489
  663    HA   SER  89           HA       SER  89  81.095  -4.616  18.258
  664   1HB   SER  89           HB2      SER  89  79.791  -2.265  18.186
  665   2HB   SER  89           HB1      SER  89  79.330  -2.774  19.808
  666    HG   SER  89           HG       SER  89  81.990  -2.726  18.808
   
  No H/Q in entry =         666
  Start of MODEL   33
    1   1H    MET   1           HT3      MET   1  86.505   8.207  -2.064
    2   2H    MET   1           HT2      MET   1  87.308   9.298  -3.091
    3   3H    MET   1           HT1      MET   1  86.652   7.862  -3.719
    4    HA   MET   1           HA       MET   1  88.797   7.160  -3.549
    5   1HB   MET   1           HB2      MET   1  88.812   9.601  -2.006
    6   2HB   MET   1           HB1      MET   1  89.778   8.377  -1.181
    7   1HG   MET   1           HG2      MET   1  91.357   8.320  -2.831
    8   2HG   MET   1           HG1      MET   1  90.168   8.541  -4.113
    9   1HE   MET   1           HE3      MET   1  91.822   9.873  -1.150
   10   2HE   MET   1           HE2      MET   1  93.074  10.521  -2.206
   11   3HE   MET   1           HE1      MET   1  92.008  11.621  -1.337
   12    H    ASP   2           HN       ASP   2  87.827   7.846  -0.163
   13    HA   ASP   2           HA       ASP   2  88.313   5.001   0.522
   14   1HB   ASP   2           HB2      ASP   2  88.918   7.329   1.748
   15   2HB   ASP   2           HB1      ASP   2  87.354   7.013   2.501
   16    H    ASP   3           HN       ASP   3  86.603   3.596   0.447
   17    HA   ASP   3           HA       ASP   3  83.875   4.649   1.119
   18   1HB   ASP   3           HB2      ASP   3  83.045   3.179  -0.716
   19   2HB   ASP   3           HB1      ASP   3  84.162   4.407  -1.310
   20    H    ILE   4           HN       ILE   4  83.031   3.502   2.810
   21    HA   ILE   4           HA       ILE   4  84.155   0.792   3.396
   22    HB   ILE   4           HB       ILE   4  83.545   1.269   5.667
   23   1HG1  ILE   4          HG12      ILE   4  82.344   3.797   5.665
   24   2HG1  ILE   4          HG11      ILE   4  81.539   2.930   4.356
   25   1HG2  ILE   4          HG21      ILE   4  84.507   3.801   4.302
   26   2HG2  ILE   4          HG23      ILE   4  84.586   3.511   6.039
   27   3HG2  ILE   4          HG22      ILE   4  85.518   2.502   4.934
   28   1HD1  ILE   4          HD12      ILE   4  81.582   0.985   6.243
   29   2HD1  ILE   4          HD11      ILE   4  81.490   2.412   7.277
   30   3HD1  ILE   4          HD13      ILE   4  80.246   2.122   6.061
   31    H    TYR   5           HN       TYR   5  81.273   2.467   2.417
   32    HA   TYR   5           HA       TYR   5  79.354   0.471   3.297
   33   1HB   TYR   5           HB2      TYR   5  79.210   2.566   1.105
   34   2HB   TYR   5           HB1      TYR   5  77.838   1.799   1.907
   35    HD1  TYR   5           HD1      TYR   5  77.361   2.254   4.299
   36    HD2  TYR   5           HD2      TYR   5  80.476   4.316   2.180
   37    HE1  TYR   5           HE1      TYR   5  77.453   3.959   6.096
   38    HE2  TYR   5           HE2      TYR   5  80.569   6.022   3.976
   39    HH   TYR   5           HH       TYR   5  78.351   6.671   6.011
   40    H    LYS   6           HN       LYS   6  81.148   1.078   0.284
   41    HA   LYS   6           HA       LYS   6  79.902  -0.616  -1.531
   42   1HB   LYS   6           HB2      LYS   6  82.427   0.640  -1.137
   43   2HB   LYS   6           HB1      LYS   6  82.748  -1.024  -1.629
   44   1HG   LYS   6           HG2      LYS   6  82.553   0.323  -3.633
   45   2HG   LYS   6           HG1      LYS   6  81.123  -0.703  -3.523
   46   1HD   LYS   6           HD2      LYS   6  80.096   1.324  -3.937
   47   2HD   LYS   6           HD1      LYS   6  80.170   1.393  -2.177
   48   1HE   LYS   6           HE2      LYS   6  82.558   2.465  -2.642
   49   2HE   LYS   6           HE1      LYS   6  81.810   2.883  -4.197
   50   1HZ   LYS   6           HZ3      LYS   6  79.845   3.651  -2.850
   51   2HZ   LYS   6           HZ2      LYS   6  80.835   3.538  -1.474
   52   3HZ   LYS   6           HZ1      LYS   6  81.234   4.616  -2.724
   53    H    ALA   7           HN       ALA   7  81.879  -1.519   1.255
   54    HA   ALA   7           HA       ALA   7  82.209  -4.304   0.566
   55   1HB   ALA   7           HB3      ALA   7  83.221  -2.573   2.399
   56   2HB   ALA   7           HB2      ALA   7  82.074  -3.453   3.409
   57   3HB   ALA   7           HB1      ALA   7  83.351  -4.325   2.559
   58    H    ALA   8           HN       ALA   8  79.592  -2.451   1.942
   59    HA   ALA   8           HA       ALA   8  78.200  -4.590   3.285
   60   1HB   ALA   8           HB1      ALA   8  77.973  -1.817   2.840
   61   2HB   ALA   8           HB3      ALA   8  76.502  -2.517   2.163
   62   3HB   ALA   8           HB2      ALA   8  76.922  -2.810   3.852
   63    H    VAL   9           HN       VAL   9  78.341  -3.498  -0.059
   64    HA   VAL   9           HA       VAL   9  76.028  -5.113  -0.894
   65    HB   VAL   9           HB       VAL   9  78.167  -3.567  -2.395
   66   1HG1  VAL   9          HG12      VAL   9  76.021  -5.333  -3.280
   67   2HG1  VAL   9          HG11      VAL   9  75.838  -3.702  -3.928
   68   3HG1  VAL   9          HG13      VAL   9  77.327  -4.604  -4.216
   69   1HG2  VAL   9          HG21      VAL   9  75.374  -2.886  -1.440
   70   2HG2  VAL   9          HG23      VAL   9  76.882  -2.066  -1.030
   71   3HG2  VAL   9          HG22      VAL   9  76.224  -1.939  -2.662
   72    H    GLU  10           HN       GLU  10  79.477  -5.510  -0.587
   73    HA   GLU  10           HA       GLU  10  79.758  -7.680  -2.505
   74   1HB   GLU  10           HB2      GLU  10  81.373  -5.993  -0.952
   75   2HB   GLU  10           HB1      GLU  10  81.683  -7.611  -0.321
   76   1HG   GLU  10           HG2      GLU  10  81.844  -6.784  -3.236
   77   2HG   GLU  10           HG1      GLU  10  83.217  -7.105  -2.177
   78    H    GLN  11           HN       GLN  11  78.977  -7.436   0.929
   79    HA   GLN  11           HA       GLN  11  79.411 -10.158   1.682
   80   1HB   GLN  11           HB2      GLN  11  77.381  -8.117   2.651
   81   2HB   GLN  11           HB1      GLN  11  77.906  -9.543   3.547
   82   1HG   GLN  11           HG2      GLN  11  80.264  -8.199   2.751
   83   2HG   GLN  11           HG1      GLN  11  79.174  -6.958   3.371
   84   1HE2  GLN  11          HE22      GLN  11  80.061  -7.850   6.656
   85   2HE2  GLN  11          HE21      GLN  11  79.815  -6.617   5.515
   86    H    LEU  12           HN       LEU  12  76.613  -8.524   0.213
   87    HA   LEU  12           HA       LEU  12  74.826 -10.798   0.401
   88   1HB   LEU  12           HB2      LEU  12  74.831  -8.421  -1.488
   89   2HB   LEU  12           HB1      LEU  12  73.436  -9.412  -1.059
   90    HG   LEU  12           HG       LEU  12  75.055  -7.725   0.874
   91   1HD1  LEU  12          HD13      LEU  12  73.181  -6.862  -0.945
   92   2HD1  LEU  12          HD12      LEU  12  72.189  -7.185   0.476
   93   3HD1  LEU  12          HD11      LEU  12  73.541  -6.059   0.582
   94   1HD2  LEU  12          HD21      LEU  12  73.043  -9.857   1.190
   95   2HD2  LEU  12          HD23      LEU  12  74.201  -9.223   2.359
   96   3HD2  LEU  12          HD22      LEU  12  72.675  -8.383   2.085
   97    H    THR  13           HN       THR  13  75.027 -12.648  -0.787
   98    HA   THR  13           HA       THR  13  76.901 -12.980  -2.939
   99    HB   THR  13           HB       THR  13  75.053 -15.023  -3.150
  100    HG1  THR  13           HG1      THR  13  74.309 -15.384  -1.075
  101   1HG2  THR  13          HG23      THR  13  77.652 -14.720  -2.353
  102   2HG2  THR  13          HG22      THR  13  76.892 -15.261  -0.857
  103   3HG2  THR  13          HG21      THR  13  76.773 -16.249  -2.314
  104    H    GLU  14           HN       GLU  14  76.190 -13.712  -5.183
  105    HA   GLU  14           HA       GLU  14  74.780 -11.727  -6.590
  106   1HB   GLU  14           HB2      GLU  14  75.617 -14.561  -7.029
  107   2HB   GLU  14           HB1      GLU  14  74.488 -13.864  -8.193
  108   1HG   GLU  14           HG2      GLU  14  76.024 -12.351  -8.989
  109   2HG   GLU  14           HG1      GLU  14  76.831 -12.192  -7.428
  110    H    GLU  15           HN       GLU  15  73.519 -15.038  -6.023
  111    HA   GLU  15           HA       GLU  15  70.873 -14.693  -6.768
  112   1HB   GLU  15           HB2      GLU  15  72.419 -16.369  -4.915
  113   2HB   GLU  15           HB1      GLU  15  70.716 -16.240  -4.476
  114   1HG   GLU  15           HG2      GLU  15  70.046 -16.947  -6.715
  115   2HG   GLU  15           HG1      GLU  15  71.732 -16.985  -7.234
  116    H    GLN  16           HN       GLN  16  72.257 -13.930  -3.555
  117    HA   GLN  16           HA       GLN  16  69.845 -13.001  -2.342
  118   1HB   GLN  16           HB2      GLN  16  72.748 -12.970  -1.899
  119   2HB   GLN  16           HB1      GLN  16  71.931 -11.569  -1.206
  120   1HG   GLN  16           HG2      GLN  16  70.211 -13.488  -0.424
  121   2HG   GLN  16           HG1      GLN  16  71.690 -14.447  -0.489
  122   1HE2  GLN  16          HE22      GLN  16  71.159 -11.826   2.536
  123   2HE2  GLN  16          HE21      GLN  16  69.946 -12.136   1.390
  124    H    LYS  17           HN       LYS  17  72.504 -11.107  -3.840
  125    HA   LYS  17           HA       LYS  17  71.494  -8.529  -3.636
  126   1HB   LYS  17           HB2      LYS  17  73.076 -10.055  -5.672
  127   2HB   LYS  17           HB1      LYS  17  72.579  -8.409  -6.068
  128   1HG   LYS  17           HG2      LYS  17  73.510  -8.218  -3.446
  129   2HG   LYS  17           HG1      LYS  17  74.649  -9.316  -4.226
  130   1HD   LYS  17           HD2      LYS  17  73.807  -6.713  -5.509
  131   2HD   LYS  17           HD1      LYS  17  75.177  -6.810  -4.402
  132   1HE   LYS  17           HE2      LYS  17  74.874  -8.473  -6.931
  133   2HE   LYS  17           HE1      LYS  17  75.925  -7.052  -6.759
  134   1HZ   LYS  17           HZ3      LYS  17  76.552  -8.464  -4.568
  135   2HZ   LYS  17           HZ2      LYS  17  76.239  -9.719  -5.670
  136   3HZ   LYS  17           HZ1      LYS  17  77.417  -8.547  -6.025
  137    H    ASN  18           HN       ASN  18  70.764 -10.832  -6.287
  138    HA   ASN  18           HA       ASN  18  68.912  -9.222  -7.704
  139   1HB   ASN  18           HB2      ASN  18  69.536 -12.119  -7.367
  140   2HB   ASN  18           HB1      ASN  18  68.008 -11.720  -8.150
  141   1HD2  ASN  18          HD22      ASN  18  71.533 -10.880 -10.059
  142   2HD2  ASN  18          HD21      ASN  18  71.541 -11.301  -8.415
  143    H    GLU  19           HN       GLU  19  68.528 -11.093  -4.749
  144    HA   GLU  19           HA       GLU  19  65.732 -11.398  -4.610
  145   1HB   GLU  19           HB2      GLU  19  67.649 -12.141  -3.045
  146   2HB   GLU  19           HB1      GLU  19  67.483 -10.552  -2.296
  147   1HG   GLU  19           HG2      GLU  19  66.000 -11.747  -0.986
  148   2HG   GLU  19           HG1      GLU  19  64.906 -11.228  -2.270
  149    H    PHE  20           HN       PHE  20  67.695  -8.605  -3.510
  150    HA   PHE  20           HA       PHE  20  65.411  -7.001  -2.750
  151   1HB   PHE  20           HB2      PHE  20  68.353  -6.605  -3.242
  152   2HB   PHE  20           HB1      PHE  20  67.320  -5.199  -2.981
  153    HD1  PHE  20           HD1      PHE  20  65.338  -6.189  -1.064
  154    HD2  PHE  20           HD2      PHE  20  69.572  -6.894  -1.248
  155    HE1  PHE  20           HE1      PHE  20  65.372  -6.616   1.378
  156    HE2  PHE  20           HE2      PHE  20  69.606  -7.320   1.196
  157    HZ   PHE  20           HZ       PHE  20  67.506  -7.182   2.508
  158    H    LYS  21           HN       LYS  21  67.403  -7.236  -5.692
  159    HA   LYS  21           HA       LYS  21  66.468  -5.009  -7.134
  160   1HB   LYS  21           HB2      LYS  21  68.180  -6.987  -7.602
  161   2HB   LYS  21           HB1      LYS  21  66.804  -7.680  -8.461
  162   1HG   LYS  21           HG2      LYS  21  67.224  -6.328 -10.208
  163   2HG   LYS  21           HG1      LYS  21  66.962  -4.923  -9.175
  164   1HD   LYS  21           HD2      LYS  21  69.371  -5.264  -8.364
  165   2HD   LYS  21           HD1      LYS  21  69.558  -6.367  -9.728
  166   1HE   LYS  21           HE2      LYS  21  69.087  -4.617 -11.318
  167   2HE   LYS  21           HE1      LYS  21  68.587  -3.506 -10.027
  168   1HZ   LYS  21           HZ2      LYS  21  70.910  -4.066  -9.069
  169   2HZ   LYS  21           HZ1      LYS  21  71.282  -4.508 -10.667
  170   3HZ   LYS  21           HZ3      LYS  21  70.785  -2.923 -10.320
  171    H    ALA  22           HN       ALA  22  64.951  -8.196  -6.686
  172    HA   ALA  22           HA       ALA  22  62.764  -7.766  -8.517
  173   1HB   ALA  22           HB1      ALA  22  63.746  -9.723  -6.624
  174   2HB   ALA  22           HB3      ALA  22  62.001  -9.540  -6.451
  175   3HB   ALA  22           HB2      ALA  22  62.692  -9.969  -8.016
  176    H    ALA  23           HN       ALA  23  63.264  -7.043  -5.081
  177    HA   ALA  23           HA       ALA  23  60.466  -6.111  -4.769
  178   1HB   ALA  23           HB3      ALA  23  62.021  -7.423  -3.096
  179   2HB   ALA  23           HB2      ALA  23  62.677  -5.824  -2.748
  180   3HB   ALA  23           HB1      ALA  23  60.966  -6.153  -2.476
  181    H    PHE  24           HN       PHE  24  63.467  -4.860  -5.762
  182    HA   PHE  24           HA       PHE  24  63.153  -2.154  -4.707
  183   1HB   PHE  24           HB2      PHE  24  65.300  -3.385  -5.258
  184   2HB   PHE  24           HB1      PHE  24  64.885  -3.203  -6.964
  185    HD1  PHE  24           HD2      PHE  24  64.128  -0.719  -7.619
  186    HD2  PHE  24           HD1      PHE  24  66.660  -1.759  -4.315
  187    HE1  PHE  24           HE2      PHE  24  65.049   1.580  -7.606
  188    HE2  PHE  24           HE1      PHE  24  67.586   0.543  -4.298
  189    HZ   PHE  24           HZ       PHE  24  66.780   2.215  -5.944
  190    H    ASP  25           HN       ASP  25  63.074  -3.527  -8.020
  191    HA   ASP  25           HA       ASP  25  62.072  -1.202  -9.324
  192   1HB   ASP  25           HB2      ASP  25  61.869  -4.174  -9.893
  193   2HB   ASP  25           HB1      ASP  25  61.405  -2.932 -11.058
  194    H    ILE  26           HN       ILE  26  60.506  -3.306  -7.118
  195    HA   ILE  26           HA       ILE  26  57.841  -3.398  -8.080
  196    HB   ILE  26           HB       ILE  26  58.905  -3.110  -5.251
  197   1HG1  ILE  26          HG12      ILE  26  59.975  -4.971  -6.380
  198   2HG1  ILE  26          HG11      ILE  26  58.751  -5.622  -5.290
  199   1HG2  ILE  26          HG22      ILE  26  56.304  -4.260  -6.307
  200   2HG2  ILE  26          HG21      ILE  26  56.828  -4.302  -4.623
  201   3HG2  ILE  26          HG23      ILE  26  56.474  -2.757  -5.399
  202   1HD1  ILE  26          HD11      ILE  26  57.172  -5.498  -7.356
  203   2HD1  ILE  26          HD13      ILE  26  58.663  -5.385  -8.292
  204   3HD1  ILE  26          HD12      ILE  26  58.359  -6.802  -7.287
  205    H    PHE  27           HN       PHE  27  59.705  -0.722  -6.890
  206    HA   PHE  27           HA       PHE  27  57.346   1.055  -7.242
  207   1HB   PHE  27           HB2      PHE  27  58.998   0.671  -4.737
  208   2HB   PHE  27           HB1      PHE  27  58.034   2.123  -5.007
  209    HD1  PHE  27           HD1      PHE  27  55.544   1.582  -5.908
  210    HD2  PHE  27           HD2      PHE  27  57.983  -1.057  -3.556
  211    HE1  PHE  27           HE1      PHE  27  53.512   0.377  -5.154
  212    HE2  PHE  27           HE2      PHE  27  55.951  -2.263  -2.803
  213    HZ   PHE  27           HZ       PHE  27  53.716  -1.546  -3.602
  214    H    VAL  28           HN       VAL  28  59.092   1.239  -9.154
  215    HA   VAL  28           HA       VAL  28  61.152   3.260  -8.398
  216    HB   VAL  28           HB       VAL  28  61.634   2.491 -10.983
  217   1HG1  VAL  28          HG13      VAL  28  63.092   2.598  -8.830
  218   2HG1  VAL  28          HG12      VAL  28  62.742   0.876  -8.714
  219   3HG1  VAL  28          HG11      VAL  28  63.577   1.513 -10.131
  220   1HG2  VAL  28          HG23      VAL  28  59.896   0.755 -10.904
  221   2HG2  VAL  28          HG22      VAL  28  61.501   0.037 -11.065
  222   3HG2  VAL  28          HG21      VAL  28  60.688   0.037  -9.501
  223    H    LEU  29           HN       LEU  29  59.810   5.095  -8.497
  224    HA   LEU  29           HA       LEU  29  58.490   5.613 -11.128
  225   1HB   LEU  29           HB2      LEU  29  56.849   5.580  -9.436
  226   2HB   LEU  29           HB1      LEU  29  57.911   6.360  -8.265
  227    HG   LEU  29           HG       LEU  29  57.110   7.829 -10.763
  228   1HD1  LEU  29          HD13      LEU  29  55.028   6.952  -9.681
  229   2HD1  LEU  29          HD12      LEU  29  55.512   7.753  -8.186
  230   3HD1  LEU  29          HD11      LEU  29  55.146   8.712  -9.622
  231   1HD2  LEU  29          HD21      LEU  29  58.366   8.385  -8.149
  232   2HD2  LEU  29          HD23      LEU  29  58.542   9.236  -9.684
  233   3HD2  LEU  29          HD22      LEU  29  57.159   9.572  -8.644
  234    H    GLY  30           HN       GLY  30  60.275   7.239  -8.475
  235   1HA   GLY  30           HA2      GLY  30  60.684   9.680  -9.966
  236   2HA   GLY  30           HA1      GLY  30  61.549   9.217  -8.501
  237    H    ALA  31           HN       ALA  31  61.362   7.920 -11.841
  238    HA   ALA  31           HA       ALA  31  63.939   8.575 -12.723
  239   1HB   ALA  31           HB1      ALA  31  63.764   6.300 -10.781
  240   2HB   ALA  31           HB3      ALA  31  64.927   6.175 -12.102
  241   3HB   ALA  31           HB2      ALA  31  65.030   7.516 -10.962
  242    H    GLU  32           HN       GLU  32  64.799   6.381 -14.096
  243    HA   GLU  32           HA       GLU  32  62.497   5.793 -15.875
  244   1HB   GLU  32           HB2      GLU  32  65.018   6.589 -16.364
  245   2HB   GLU  32           HB1      GLU  32  65.281   4.844 -16.394
  246   1HG   GLU  32           HG2      GLU  32  64.749   5.517 -18.645
  247   2HG   GLU  32           HG1      GLU  32  63.338   4.674 -18.006
  248    H    ASP  33           HN       ASP  33  61.896   4.378 -13.740
  249    HA   ASP  33           HA       ASP  33  61.517   2.184 -12.945
  250   1HB   ASP  33           HB2      ASP  33  61.305   2.087 -15.571
  251   2HB   ASP  33           HB1      ASP  33  62.824   1.196 -15.468
  252    H    GLY  34           HN       GLY  34  63.838   3.377 -11.973
  253   1HA   GLY  34           HA2      GLY  34  65.562   1.007 -11.599
  254   2HA   GLY  34           HA1      GLY  34  66.344   2.449 -12.246
  255    H    CYS  35           HN       CYS  35  64.832   4.378 -10.743
  256    HA   CYS  35           HA       CYS  35  65.977   3.868  -8.020
  257   1HB   CYS  35           HB2      CYS  35  65.240   6.492  -9.349
  258   2HB   CYS  35           HB1      CYS  35  66.246   6.266  -7.918
  259    HG   CYS  35           HG       CYS  35  67.261   6.176 -10.731
  260    H    ILE  36           HN       ILE  36  64.667   4.399  -6.180
  261    HA   ILE  36           HA       ILE  36  61.739   4.639  -6.789
  262    HB   ILE  36           HB       ILE  36  61.427   3.351  -4.751
  263   1HG1  ILE  36          HG12      ILE  36  64.440   3.518  -4.421
  264   2HG1  ILE  36          HG11      ILE  36  63.278   4.461  -3.485
  265   1HG2  ILE  36          HG23      ILE  36  63.615   2.327  -6.570
  266   2HG2  ILE  36          HG22      ILE  36  62.884   1.327  -5.316
  267   3HG2  ILE  36          HG21      ILE  36  61.894   1.953  -6.633
  268   1HD1  ILE  36          HD11      ILE  36  62.997   1.472  -3.607
  269   2HD1  ILE  36          HD13      ILE  36  64.181   2.191  -2.515
  270   3HD1  ILE  36          HD12      ILE  36  62.471   2.589  -2.347
  271    H    SER  37           HN       SER  37  60.501   5.748  -4.968
  272    HA   SER  37           HA       SER  37  61.890   8.259  -4.240
  273   1HB   SER  37           HB2      SER  37  59.270   7.405  -4.962
  274   2HB   SER  37           HB1      SER  37  59.170   8.053  -3.327
  275    HG   SER  37           HG       SER  37  58.972   9.772  -4.691
  276    H    THR  38           HN       THR  38  62.570   8.687  -2.161
  277    HA   THR  38           HA       THR  38  62.938   6.809  -0.156
  278    HB   THR  38           HB       THR  38  62.978   8.839   1.354
  279    HG1  THR  38           HG1      THR  38  61.381  10.075   0.502
  280   1HG2  THR  38          HG23      THR  38  64.354   8.751  -1.315
  281   2HG2  THR  38          HG22      THR  38  64.642  10.106  -0.222
  282   3HG2  THR  38          HG21      THR  38  65.024   8.462   0.291
  283    H    LYS  39           HN       LYS  39  60.054   8.851  -0.652
  284    HA   LYS  39           HA       LYS  39  58.646   7.974   1.707
  285   1HB   LYS  39           HB2      LYS  39  56.727   9.017   0.519
  286   2HB   LYS  39           HB1      LYS  39  58.165  10.037   0.445
  287   1HG   LYS  39           HG2      LYS  39  58.498   9.648  -1.806
  288   2HG   LYS  39           HG1      LYS  39  57.765   8.045  -1.744
  289   1HD   LYS  39           HD2      LYS  39  55.585   8.892  -1.848
  290   2HD   LYS  39           HD1      LYS  39  56.071  10.482  -1.259
  291   1HE   LYS  39           HE2      LYS  39  57.446  10.665  -3.451
  292   2HE   LYS  39           HE1      LYS  39  56.445   9.313  -4.020
  293   1HZ   LYS  39           HZ3      LYS  39  55.325  11.763  -2.774
  294   2HZ   LYS  39           HZ2      LYS  39  55.485  11.568  -4.454
  295   3HZ   LYS  39           HZ1      LYS  39  54.475  10.528  -3.567
  296    H    GLU  40           HN       GLU  40  59.346   6.419  -1.269
  297    HA   GLU  40           HA       GLU  40  57.009   4.580  -1.050
  298   1HB   GLU  40           HB2      GLU  40  59.156   5.098  -3.127
  299   2HB   GLU  40           HB1      GLU  40  57.951   3.819  -3.288
  300   1HG   GLU  40           HG2      GLU  40  56.513   6.141  -2.583
  301   2HG   GLU  40           HG1      GLU  40  57.670   6.647  -3.814
  302    H    LEU  41           HN       LEU  41  60.519   4.681  -0.711
  303    HA   LEU  41           HA       LEU  41  61.140   1.918  -0.751
  304   1HB   LEU  41           HB2      LEU  41  62.818   3.663  -0.706
  305   2HB   LEU  41           HB1      LEU  41  62.227   4.256   0.846
  306    HG   LEU  41           HG       LEU  41  63.038   1.391   0.708
  307   1HD1  LEU  41          HD12      LEU  41  64.876   3.728   0.343
  308   2HD1  LEU  41          HD11      LEU  41  65.416   2.383   1.347
  309   3HD1  LEU  41          HD13      LEU  41  64.982   2.105  -0.339
  310   1HD2  LEU  41          HD22      LEU  41  63.002   3.652   2.688
  311   2HD2  LEU  41          HD21      LEU  41  62.327   2.030   2.841
  312   3HD2  LEU  41          HD23      LEU  41  64.069   2.275   2.968
  313    H    GLY  42           HN       GLY  42  59.253   3.713   1.515
  314   1HA   GLY  42           HA2      GLY  42  59.711   2.275   3.918
  315   2HA   GLY  42           HA1      GLY  42  58.189   3.066   3.504
  316    H    LYS  43           HN       LYS  43  56.908   1.775   1.735
  317    HA   LYS  43           HA       LYS  43  56.093  -0.713   2.785
  318   1HB   LYS  43           HB2      LYS  43  55.058  -0.961   0.492
  319   2HB   LYS  43           HB1      LYS  43  54.754   0.604   1.249
  320   1HG   LYS  43           HG2      LYS  43  57.232   0.767  -0.172
  321   2HG   LYS  43           HG1      LYS  43  56.019   0.083  -1.255
  322   1HD   LYS  43           HD2      LYS  43  55.282   2.455   0.424
  323   2HD   LYS  43           HD1      LYS  43  56.261   2.705  -1.022
  324   1HE   LYS  43           HE2      LYS  43  54.036   0.896  -1.560
  325   2HE   LYS  43           HE1      LYS  43  53.474   2.471  -0.963
  326   1HZ   LYS  43           HZ2      LYS  43  55.057   3.518  -2.530
  327   2HZ   LYS  43           HZ1      LYS  43  55.385   1.986  -3.186
  328   3HZ   LYS  43           HZ3      LYS  43  53.828   2.645  -3.313
  329    H    VAL  44           HN       VAL  44  58.853   0.047   0.819
  330    HA   VAL  44           HA       VAL  44  59.239  -2.630  -0.277
  331    HB   VAL  44           HB       VAL  44  60.739  -0.029  -0.104
  332   1HG1  VAL  44          HG11      VAL  44  61.887  -2.720  -0.872
  333   2HG1  VAL  44          HG13      VAL  44  62.554  -1.206  -1.483
  334   3HG1  VAL  44          HG12      VAL  44  62.553  -1.534   0.250
  335   1HG2  VAL  44          HG23      VAL  44  59.795  -1.848  -2.341
  336   2HG2  VAL  44          HG22      VAL  44  59.101  -0.293  -1.878
  337   3HG2  VAL  44          HG21      VAL  44  60.710  -0.362  -2.597
  338    H    MET  45           HN       MET  45  60.355  -0.853   2.580
  339    HA   MET  45           HA       MET  45  62.338  -2.825   3.377
  340   1HB   MET  45           HB2      MET  45  60.945  -0.444   4.588
  341   2HB   MET  45           HB1      MET  45  61.972  -1.468   5.592
  342   1HG   MET  45           HG2      MET  45  62.889  -0.260   2.971
  343   2HG   MET  45           HG1      MET  45  63.161   0.503   4.537
  344   1HE   MET  45           HE2      MET  45  65.181   0.730   4.835
  345   2HE   MET  45           HE1      MET  45  65.371  -0.364   6.202
  346   3HE   MET  45           HE3      MET  45  66.526  -0.407   4.863
  347    H    ARG  46           HN       ARG  46  59.076  -1.998   4.631
  348    HA   ARG  46           HA       ARG  46  58.933  -4.179   6.491
  349   1HB   ARG  46           HB2      ARG  46  56.563  -3.540   6.571
  350   2HB   ARG  46           HB1      ARG  46  57.568  -2.092   6.503
  351   1HG   ARG  46           HG2      ARG  46  57.206  -1.964   4.057
  352   2HG   ARG  46           HG1      ARG  46  56.172  -3.391   4.144
  353   1HD   ARG  46           HD2      ARG  46  55.626  -0.880   5.760
  354   2HD   ARG  46           HD1      ARG  46  54.913  -1.176   4.162
  355    HE   ARG  46           HE       ARG  46  54.065  -3.375   5.174
  356   1HH1  ARG  46          HH11      ARG  46  54.076  -0.316   6.653
  357   2HH1  ARG  46          HH12      ARG  46  53.345  -0.853   8.129
  358   1HH2  ARG  46          HH21      ARG  46  53.434  -4.210   7.261
  359   2HH2  ARG  46          HH22      ARG  46  52.980  -3.057   8.472
  360    H    MET  47           HN       MET  47  58.723  -4.118   3.069
  361    HA   MET  47           HA       MET  47  56.847  -6.262   2.630
  362   1HB   MET  47           HB2      MET  47  58.696  -4.568   1.171
  363   2HB   MET  47           HB1      MET  47  58.769  -6.224   0.570
  364   1HG   MET  47           HG2      MET  47  56.424  -6.264   0.114
  365   2HG   MET  47           HG1      MET  47  56.153  -4.773   1.017
  366   1HE   MET  47           HE3      MET  47  58.134  -6.370  -1.907
  367   2HE   MET  47           HE2      MET  47  56.418  -6.307  -2.297
  368   3HE   MET  47           HE1      MET  47  57.564  -5.367  -3.249
  369    H    LEU  48           HN       LEU  48  60.353  -6.170   3.202
  370    HA   LEU  48           HA       LEU  48  60.608  -9.084   2.801
  371   1HB   LEU  48           HB2      LEU  48  62.407  -6.746   3.403
  372   2HB   LEU  48           HB1      LEU  48  63.010  -8.391   3.604
  373    HG   LEU  48           HG       LEU  48  61.698  -8.427   1.132
  374   1HD1  LEU  48          HD12      LEU  48  62.156  -5.763   1.669
  375   2HD1  LEU  48          HD11      LEU  48  63.608  -6.215   0.775
  376   3HD1  LEU  48          HD13      LEU  48  62.017  -6.455   0.054
  377   1HD2  LEU  48          HD21      LEU  48  64.478  -8.516   2.174
  378   2HD2  LEU  48          HD23      LEU  48  63.632  -9.653   1.123
  379   3HD2  LEU  48          HD22      LEU  48  64.317  -8.173   0.451
  380    H    GLY  49           HN       GLY  49  60.073  -6.849   5.412
  381   1HA   GLY  49           HA2      GLY  49  59.192  -7.906   7.511
  382   2HA   GLY  49           HA1      GLY  49  60.496  -9.085   7.356
  383    H    GLN  50           HN       GLN  50  60.457  -5.520   7.078
  384    HA   GLN  50           HA       GLN  50  62.589  -5.459   9.191
  385   1HB   GLN  50           HB2      GLN  50  62.428  -4.487   6.452
  386   2HB   GLN  50           HB1      GLN  50  62.797  -3.175   7.573
  387   1HG   GLN  50           HG2      GLN  50  64.827  -4.400   6.691
  388   2HG   GLN  50           HG1      GLN  50  64.704  -4.359   8.451
  389   1HE2  GLN  50          HE22      GLN  50  64.363  -7.921   6.482
  390   2HE2  GLN  50          HE21      GLN  50  64.414  -6.463   5.614
  391    H    ASN  51           HN       ASN  51  62.481  -3.683  10.670
  392    HA   ASN  51           HA       ASN  51  59.972  -2.045  10.549
  393   1HB   ASN  51           HB2      ASN  51  59.662  -2.485  12.914
  394   2HB   ASN  51           HB1      ASN  51  59.894  -4.035  12.104
  395   1HD2  ASN  51          HD22      ASN  51  62.235  -3.427  15.143
  396   2HD2  ASN  51          HD21      ASN  51  60.618  -2.949  14.951
  397    HA   PRO  52           HA       PRO  52  63.883   0.426  11.327
  398   1HB   PRO  52           HB2      PRO  52  63.693   2.026   9.113
  399   2HB   PRO  52           HB1      PRO  52  64.552   0.473   9.112
  400   1HG   PRO  52           HG2      PRO  52  61.830   1.131   8.105
  401   2HG   PRO  52           HG1      PRO  52  63.054   0.047   7.425
  402   1HD   PRO  52           HD2      PRO  52  60.885  -0.824   8.835
  403   2HD   PRO  52           HD1      PRO  52  62.426  -1.708   8.752
  404    H    THR  53           HN       THR  53  63.890   2.793  11.828
  405    HA   THR  53           HA       THR  53  61.285   3.687  12.813
  406    HB   THR  53           HB       THR  53  64.147   4.646  12.870
  407    HG1  THR  53           HG1      THR  53  62.337   4.054  14.959
  408   1HG2  THR  53          HG21      THR  53  61.788   6.277  13.101
  409   2HG2  THR  53          HG23      THR  53  62.606   6.195  14.661
  410   3HG2  THR  53          HG22      THR  53  63.481   6.752  13.236
  411    HA   PRO  54           HA       PRO  54  60.337   6.052   9.203
  412   1HB   PRO  54           HB2      PRO  54  58.356   7.595  10.293
  413   2HB   PRO  54           HB1      PRO  54  58.125   5.888   9.861
  414   1HG   PRO  54           HG2      PRO  54  58.626   7.116  12.526
  415   2HG   PRO  54           HG1      PRO  54  57.569   5.766  12.085
  416   1HD   PRO  54           HD2      PRO  54  60.023   5.448  13.239
  417   2HD   PRO  54           HD1      PRO  54  59.267   4.235  12.182
  418    H    GLU  55           HN       GLU  55  60.587   7.810  12.315
  419    HA   GLU  55           HA       GLU  55  61.160  10.383  11.202
  420   1HB   GLU  55           HB2      GLU  55  61.427   8.953  13.807
  421   2HB   GLU  55           HB1      GLU  55  62.339  10.452  13.621
  422   1HG   GLU  55           HG2      GLU  55  60.329  11.687  13.089
  423   2HG   GLU  55           HG1      GLU  55  59.377  10.202  13.033
  424    H    GLU  56           HN       GLU  56  63.117   7.531  11.592
  425    HA   GLU  56           HA       GLU  56  65.665   9.016  11.337
  426   1HB   GLU  56           HB2      GLU  56  64.748   6.198  11.817
  427   2HB   GLU  56           HB1      GLU  56  66.400   6.469  11.260
  428   1HG   GLU  56           HG2      GLU  56  66.895   7.869  13.150
  429   2HG   GLU  56           HG1      GLU  56  65.201   7.907  13.640
  430    H    LEU  57           HN       LEU  57  63.504   7.003   9.390
  431    HA   LEU  57           HA       LEU  57  65.012   6.263   7.198
  432   1HB   LEU  57           HB2      LEU  57  62.264   6.903   7.827
  433   2HB   LEU  57           HB1      LEU  57  62.636   7.421   6.182
  434    HG   LEU  57           HG       LEU  57  63.827   4.846   6.644
  435   1HD1  LEU  57          HD12      LEU  57  61.720   5.014   8.305
  436   2HD1  LEU  57          HD11      LEU  57  60.862   4.598   6.822
  437   3HD1  LEU  57          HD13      LEU  57  62.118   3.528   7.443
  438   1HD2  LEU  57          HD21      LEU  57  61.688   6.000   4.851
  439   2HD2  LEU  57          HD23      LEU  57  63.334   5.528   4.429
  440   3HD2  LEU  57          HD22      LEU  57  62.123   4.293   4.775
  441    H    GLN  58           HN       GLN  58  63.337   9.434   7.405
  442    HA   GLN  58           HA       GLN  58  64.522  10.619   5.126
  443   1HB   GLN  58           HB2      GLN  58  63.515  11.721   7.764
  444   2HB   GLN  58           HB1      GLN  58  63.943  12.752   6.397
  445   1HG   GLN  58           HG2      GLN  58  62.208  10.532   5.615
  446   2HG   GLN  58           HG1      GLN  58  61.461  11.578   6.824
  447   1HE2  GLN  58          HE22      GLN  58  62.715  13.530   3.427
  448   2HE2  GLN  58          HE21      GLN  58  63.748  12.402   4.164
  449    H    GLU  59           HN       GLU  59  65.608  10.716   8.538
  450    HA   GLU  59           HA       GLU  59  67.833  12.389   8.341
  451   1HB   GLU  59           HB2      GLU  59  66.973  11.347  10.402
  452   2HB   GLU  59           HB1      GLU  59  67.521   9.767   9.841
  453   1HG   GLU  59           HG2      GLU  59  69.504  10.184  10.820
  454   2HG   GLU  59           HG1      GLU  59  69.762  11.456   9.625
  455    H    MET  60           HN       MET  60  67.852   8.834   7.838
  456    HA   MET  60           HA       MET  60  70.545   8.558   7.031
  457   1HB   MET  60           HB2      MET  60  67.961   7.122   6.424
  458   2HB   MET  60           HB1      MET  60  69.481   6.566   5.724
  459   1HG   MET  60           HG2      MET  60  70.007   5.544   7.656
  460   2HG   MET  60           HG1      MET  60  69.924   7.091   8.500
  461   1HE   MET  60           HE2      MET  60  68.459   4.150   7.130
  462   2HE   MET  60           HE1      MET  60  68.101   3.488   8.722
  463   3HE   MET  60           HE3      MET  60  66.785   4.000   7.657
  464    H    ILE  61           HN       ILE  61  67.665   8.975   4.925
  465    HA   ILE  61           HA       ILE  61  69.039   9.143   2.449
  466    HB   ILE  61           HB       ILE  61  66.473  10.344   3.518
  467   1HG1  ILE  61          HG12      ILE  61  66.656   8.204   1.434
  468   2HG1  ILE  61          HG11      ILE  61  67.020   7.766   3.103
  469   1HG2  ILE  61          HG23      ILE  61  67.441  11.637   1.560
  470   2HG2  ILE  61          HG22      ILE  61  67.300  10.157   0.611
  471   3HG2  ILE  61          HG21      ILE  61  65.855  10.925   1.268
  472   1HD1  ILE  61          HD12      ILE  61  64.543   9.349   2.469
  473   2HD1  ILE  61          HD11      ILE  61  64.548   7.596   2.268
  474   3HD1  ILE  61          HD13      ILE  61  64.866   8.304   3.852
  475    H    ASP  62           HN       ASP  62  68.359  11.633   4.890
  476    HA   ASP  62           HA       ASP  62  69.288  13.871   3.306
  477   1HB   ASP  62           HB2      ASP  62  69.113  13.489   6.313
  478   2HB   ASP  62           HB1      ASP  62  69.143  15.032   5.460
  479    H    GLU  63           HN       GLU  63  70.871  11.421   5.219
  480    HA   GLU  63           HA       GLU  63  73.404  12.957   5.373
  481   1HB   GLU  63           HB2      GLU  63  72.437  10.263   6.373
  482   2HB   GLU  63           HB1      GLU  63  74.084  10.842   6.620
  483   1HG   GLU  63           HG2      GLU  63  73.003  12.956   7.625
  484   2HG   GLU  63           HG1      GLU  63  71.514  12.011   7.690
  485    H    VAL  64           HN       VAL  64  72.085  10.019   3.845
  486    HA   VAL  64           HA       VAL  64  74.613   9.465   2.438
  487    HB   VAL  64           HB       VAL  64  72.904   7.802   3.395
  488   1HG1  VAL  64          HG11      VAL  64  70.912   8.972   2.458
  489   2HG1  VAL  64          HG13      VAL  64  71.453   8.541   0.835
  490   3HG1  VAL  64          HG12      VAL  64  70.986   7.278   1.974
  491   1HG2  VAL  64          HG22      VAL  64  74.306   7.769   0.804
  492   2HG2  VAL  64          HG21      VAL  64  74.327   6.582   2.107
  493   3HG2  VAL  64          HG23      VAL  64  73.012   6.579   0.932
  494    H    ASP  65           HN       ASP  65  71.331  10.592   1.626
  495    HA   ASP  65           HA       ASP  65  72.212  11.149  -1.169
  496   1HB   ASP  65           HB2      ASP  65  69.778  10.373   0.225
  497   2HB   ASP  65           HB1      ASP  65  69.496  11.770  -0.816
  498    H    GLU  66           HN       GLU  66  73.542  12.967   0.091
  499    HA   GLU  66           HA       GLU  66  72.024  15.294   0.981
  500   1HB   GLU  66           HB2      GLU  66  74.823  14.393   0.671
  501   2HB   GLU  66           HB1      GLU  66  74.589  16.133   0.505
  502   1HG   GLU  66           HG2      GLU  66  73.041  15.069   2.725
  503   2HG   GLU  66           HG1      GLU  66  74.758  14.705   2.907
  504    H    ASP  67           HN       ASP  67  72.438  14.023  -2.047
  505    HA   ASP  67           HA       ASP  67  73.171  16.332  -3.617
  506   1HB   ASP  67           HB2      ASP  67  72.751  13.632  -3.991
  507   2HB   ASP  67           HB1      ASP  67  71.359  14.339  -4.812
  508    H    GLY  68           HN       GLY  68  70.010  14.910  -2.721
  509   1HA   GLY  68           HA2      GLY  68  68.177  16.495  -2.142
  510   2HA   GLY  68           HA1      GLY  68  68.765  17.533  -3.442
  511    H    SER  69           HN       SER  69  68.936  14.239  -4.246
  512    HA   SER  69           HA       SER  69  66.921  14.527  -6.326
  513   1HB   SER  69           HB2      SER  69  68.238  11.988  -5.347
  514   2HB   SER  69           HB1      SER  69  67.710  12.376  -6.982
  515    HG   SER  69           HG       SER  69  69.347  13.922  -7.088
  516    H    GLY  70           HN       GLY  70  66.944  13.326  -3.049
  517   1HA   GLY  70           HA2      GLY  70  65.249  12.381  -1.732
  518   2HA   GLY  70           HA1      GLY  70  64.122  13.152  -2.849
  519    H    THR  71           HN       THR  71  66.491  10.817  -3.950
  520    HA   THR  71           HA       THR  71  64.435   8.669  -4.054
  521    HB   THR  71           HB       THR  71  64.966   8.456  -6.533
  522    HG1  THR  71           HG1      THR  71  65.901  11.100  -6.275
  523   1HG2  THR  71          HG21      THR  71  63.077   9.935  -5.259
  524   2HG2  THR  71          HG23      THR  71  63.868  11.188  -6.218
  525   3HG2  THR  71          HG22      THR  71  63.170   9.776  -7.014
  526    H    VAL  72           HN       VAL  72  65.386   6.627  -3.948
  527    HA   VAL  72           HA       VAL  72  68.380   6.561  -3.889
  528    HB   VAL  72           HB       VAL  72  67.792   4.394  -2.533
  529   1HG1  VAL  72          HG11      VAL  72  67.431   7.242  -1.611
  530   2HG1  VAL  72          HG13      VAL  72  67.406   5.885  -0.484
  531   3HG1  VAL  72          HG12      VAL  72  68.853   6.208  -1.441
  532   1HG2  VAL  72          HG22      VAL  72  65.294   4.757  -3.244
  533   2HG2  VAL  72          HG21      VAL  72  65.648   4.248  -1.593
  534   3HG2  VAL  72          HG23      VAL  72  65.279   5.938  -1.934
  535    H    ASP  73           HN       ASP  73  69.451   5.029  -5.111
  536    HA   ASP  73           HA       ASP  73  67.781   3.397  -6.987
  537   1HB   ASP  73           HB2      ASP  73  69.881   3.458  -8.361
  538   2HB   ASP  73           HB1      ASP  73  69.246   5.068  -8.020
  539    H    PHE  74           HN       PHE  74  69.295   1.363  -7.692
  540    HA   PHE  74           HA       PHE  74  69.443  -0.383  -5.453
  541   1HB   PHE  74           HB2      PHE  74  69.403  -0.731  -8.068
  542   2HB   PHE  74           HB1      PHE  74  71.160  -0.713  -7.903
  543    HD1  PHE  74           HD2      PHE  74  68.056  -2.383  -6.696
  544    HD2  PHE  74           HD1      PHE  74  72.334  -2.580  -7.017
  545    HE1  PHE  74           HE2      PHE  74  68.007  -4.733  -5.901
  546    HE2  PHE  74           HE1      PHE  74  72.286  -4.929  -6.223
  547    HZ   PHE  74           HZ       PHE  74  70.123  -6.005  -5.664
  548    H    ASP  75           HN       ASP  75  71.601   2.093  -6.473
  549    HA   ASP  75           HA       ASP  75  74.004   0.910  -5.251
  550   1HB   ASP  75           HB2      ASP  75  73.821   2.466  -7.297
  551   2HB   ASP  75           HB1      ASP  75  73.542   3.766  -6.137
  552    H    GLU  76           HN       GLU  76  71.566   3.376  -4.456
  553    HA   GLU  76           HA       GLU  76  72.929   4.093  -1.941
  554   1HB   GLU  76           HB2      GLU  76  70.355   4.877  -3.332
  555   2HB   GLU  76           HB1      GLU  76  70.820   5.528  -1.760
  556   1HG   GLU  76           HG2      GLU  76  72.924   5.625  -3.843
  557   2HG   GLU  76           HG1      GLU  76  71.531   6.671  -4.125
  558    H    PHE  77           HN       PHE  77  69.731   2.713  -2.829
  559    HA   PHE  77           HA       PHE  77  68.700   2.078  -0.341
  560   1HB   PHE  77           HB2      PHE  77  67.643   1.649  -2.538
  561   2HB   PHE  77           HB1      PHE  77  68.780   0.331  -2.824
  562    HD1  PHE  77           HD2      PHE  77  66.766   1.405   0.157
  563    HD2  PHE  77           HD1      PHE  77  67.716  -1.733  -2.618
  564    HE1  PHE  77           HE2      PHE  77  65.282  -0.146   1.402
  565    HE2  PHE  77           HE1      PHE  77  66.234  -3.283  -1.374
  566    HZ   PHE  77           HZ       PHE  77  65.016  -2.490   0.636
  567    H    LEU  78           HN       LEU  78  70.851  -0.099  -2.224
  568    HA   LEU  78           HA       LEU  78  71.206  -2.173  -0.413
  569   1HB   LEU  78           HB2      LEU  78  73.029  -0.737  -2.337
  570   2HB   LEU  78           HB1      LEU  78  73.629  -2.109  -1.403
  571    HG   LEU  78           HG       LEU  78  71.243  -2.110  -3.275
  572   1HD1  LEU  78          HD12      LEU  78  74.085  -2.816  -3.521
  573   2HD1  LEU  78          HD11      LEU  78  72.997  -4.112  -4.016
  574   3HD1  LEU  78          HD13      LEU  78  72.886  -2.527  -4.781
  575   1HD2  LEU  78          HD23      LEU  78  72.309  -4.133  -1.305
  576   2HD2  LEU  78          HD22      LEU  78  70.646  -3.588  -1.530
  577   3HD2  LEU  78          HD21      LEU  78  71.399  -4.642  -2.727
  578    H    VAL  79           HN       VAL  79  73.176   0.825  -0.505
  579    HA   VAL  79           HA       VAL  79  74.721   0.307   1.827
  580    HB   VAL  79           HB       VAL  79  73.724   2.937   0.681
  581   1HG1  VAL  79          HG11      VAL  79  75.931   2.169   2.580
  582   2HG1  VAL  79          HG13      VAL  79  76.085   3.608   1.571
  583   3HG1  VAL  79          HG12      VAL  79  74.755   3.476   2.720
  584   1HG2  VAL  79          HG21      VAL  79  76.030   1.115  -0.045
  585   2HG2  VAL  79          HG23      VAL  79  74.747   1.711  -1.100
  586   3HG2  VAL  79          HG22      VAL  79  75.988   2.817  -0.508
  587    H    MET  80           HN       MET  80  71.475   1.657   1.429
  588    HA   MET  80           HA       MET  80  71.217   2.529   4.202
  589   1HB   MET  80           HB2      MET  80  69.772   2.606   1.691
  590   2HB   MET  80           HB1      MET  80  68.687   2.152   3.006
  591   1HG   MET  80           HG2      MET  80  69.997   4.147   4.235
  592   2HG   MET  80           HG1      MET  80  70.174   4.698   2.569
  593   1HE   MET  80           HE2      MET  80  68.717   5.495   1.161
  594   2HE   MET  80           HE1      MET  80  67.071   6.047   1.458
  595   3HE   MET  80           HE3      MET  80  68.428   6.805   2.302
  596    H    MET  81           HN       MET  81  70.373  -0.368   2.344
  597    HA   MET  81           HA       MET  81  68.737  -1.617   4.364
  598   1HB   MET  81           HB2      MET  81  70.239  -2.423   1.891
  599   2HB   MET  81           HB1      MET  81  69.562  -3.680   2.926
  600   1HG   MET  81           HG2      MET  81  67.471  -1.903   2.749
  601   2HG   MET  81           HG1      MET  81  68.192  -1.783   1.144
  602   1HE   MET  81           HE3      MET  81  67.130  -3.789   3.947
  603   2HE   MET  81           HE2      MET  81  66.153  -5.112   3.315
  604   3HE   MET  81           HE1      MET  81  67.894  -5.316   3.486
  605    H    VAL  82           HN       VAL  82  72.215  -1.686   3.639
  606    HA   VAL  82           HA       VAL  82  72.808  -3.708   5.670
  607    HB   VAL  82           HB       VAL  82  75.121  -3.206   4.992
  608   1HG1  VAL  82          HG13      VAL  82  73.102  -4.168   3.351
  609   2HG1  VAL  82          HG12      VAL  82  73.890  -2.953   2.345
  610   3HG1  VAL  82          HG11      VAL  82  74.830  -4.282   3.021
  611   1HG2  VAL  82          HG23      VAL  82  74.094  -0.631   4.585
  612   2HG2  VAL  82          HG22      VAL  82  75.729  -1.175   4.209
  613   3HG2  VAL  82          HG21      VAL  82  74.479  -1.214   2.966
  614    H    ARG  83           HN       ARG  83  72.151  -0.364   5.734
  615    HA   ARG  83           HA       ARG  83  73.925   0.356   7.946
  616   1HB   ARG  83           HB2      ARG  83  72.073   1.575   6.081
  617   2HB   ARG  83           HB1      ARG  83  71.767   2.163   7.715
  618   1HG   ARG  83           HG2      ARG  83  74.410   2.363   7.787
  619   2HG   ARG  83           HG1      ARG  83  74.232   2.437   6.034
  620   1HD   ARG  83           HD2      ARG  83  72.547   4.288   6.346
  621   2HD   ARG  83           HD1      ARG  83  72.953   4.288   8.073
  622    HE   ARG  83           HE       ARG  83  75.046   4.688   5.967
  623   1HH1  ARG  83          HH21      ARG  83  76.614   4.718   8.147
  624   2HH1  ARG  83          HH22      ARG  83  76.401   6.234   8.956
  625   1HH2  ARG  83          HH11      ARG  83  73.415   6.972   7.353
  626   2HH2  ARG  83          HH12      ARG  83  74.589   7.510   8.508
  627    H    CYS  84           HN       CYS  84  70.858  -1.205   7.646
  628    HA   CYS  84           HA       CYS  84  70.171  -0.598  10.494
  629   1HB   CYS  84           HB2      CYS  84  68.577  -0.199   8.540
  630   2HB   CYS  84           HB1      CYS  84  68.501  -1.951   8.358
  631    HG   CYS  84           HG       CYS  84  66.583  -1.403   9.981
  632    H    MET  85           HN       MET  85  71.883  -2.858   8.822
  633    HA   MET  85           HA       MET  85  71.093  -5.036  10.726
  634   1HB   MET  85           HB2      MET  85  71.272  -6.608   8.912
  635   2HB   MET  85           HB1      MET  85  70.296  -5.266   8.312
  636   1HG   MET  85           HG2      MET  85  71.768  -5.021   6.627
  637   2HG   MET  85           HG1      MET  85  72.980  -4.547   7.818
  638   1HE   MET  85           HE1      MET  85  71.138  -6.959   5.994
  639   2HE   MET  85           HE3      MET  85  72.404  -7.914   5.209
  640   3HE   MET  85           HE2      MET  85  71.590  -8.533   6.643
  641    H    LYS  86           HN       LYS  86  73.253  -3.062  10.980
  642    HA   LYS  86           HA       LYS  86  75.427  -4.751  11.722
  643   1HB   LYS  86           HB2      LYS  86  75.148  -4.435   8.962
  644   2HB   LYS  86           HB1      LYS  86  76.430  -3.301   9.390
  645   1HG   LYS  86           HG2      LYS  86  77.858  -4.966  10.110
  646   2HG   LYS  86           HG1      LYS  86  76.538  -6.032  10.595
  647   1HD   LYS  86           HD2      LYS  86  76.355  -5.603   7.769
  648   2HD   LYS  86           HD1      LYS  86  78.012  -6.071   8.154
  649   1HE   LYS  86           HE2      LYS  86  75.927  -7.634   9.567
  650   2HE   LYS  86           HE1      LYS  86  75.998  -7.879   7.810
  651   1HZ   LYS  86           HZ3      LYS  86  78.523  -7.936   8.189
  652   2HZ   LYS  86           HZ2      LYS  86  78.135  -8.246   9.814
  653   3HZ   LYS  86           HZ1      LYS  86  77.624  -9.314   8.597
  654    H    ASP  87           HN       ASP  87  75.409  -3.258  13.501
  655    HA   ASP  87           HA       ASP  87  76.760  -0.662  12.908
  656   1HB   ASP  87           HB2      ASP  87  75.127   0.472  14.368
  657   2HB   ASP  87           HB1      ASP  87  74.302  -0.330  13.032
  658    H    ASP  88           HN       ASP  88  78.338  -0.197  14.426
  659    HA   ASP  88           HA       ASP  88  78.828  -2.175  16.562
  660   1HB   ASP  88           HB2      ASP  88  80.266  -0.098  15.040
  661   2HB   ASP  88           HB1      ASP  88  80.756  -0.214  16.731
  662    H    SER  89           HN       SER  89  77.949  -1.855  18.566
  663    HA   SER  89           HA       SER  89  77.010  -0.740  20.431
  664   1HB   SER  89           HB2      SER  89  79.302  -0.123  20.757
  665   2HB   SER  89           HB1      SER  89  79.238   1.063  19.456
  666    HG   SER  89           HG       SER  89  77.474   1.285  21.627
   
  No H/Q in entry =         666
  Start of MODEL   34
    1   1H    MET   1           HT2      MET   1  83.615   8.487  -4.557
    2   2H    MET   1           HT1      MET   1  83.975  10.125  -4.285
    3   3H    MET   1           HT3      MET   1  84.987   8.921  -3.653
    4    HA   MET   1           HA       MET   1  83.762   9.511  -1.792
    5   1HB   MET   1           HB2      MET   1  81.476  10.262  -1.979
    6   2HB   MET   1           HB1      MET   1  82.366  11.002  -3.310
    7   1HG   MET   1           HG2      MET   1  81.563   9.294  -4.852
    8   2HG   MET   1           HG1      MET   1  80.765   8.437  -3.534
    9   1HE   MET   1           HE3      MET   1  79.025   9.197  -2.154
   10   2HE   MET   1           HE2      MET   1  79.441  10.864  -1.766
   11   3HE   MET   1           HE1      MET   1  77.863  10.496  -2.460
   12    H    ASP   2           HN       ASP   2  82.234   8.160  -0.469
   13    HA   ASP   2           HA       ASP   2  81.349   6.062   0.174
   14   1HB   ASP   2           HB2      ASP   2  80.490   6.695  -2.448
   15   2HB   ASP   2           HB1      ASP   2  80.945   4.992  -2.482
   16    H    ASP   3           HN       ASP   3  82.622   4.395   0.879
   17    HA   ASP   3           HA       ASP   3  84.305   2.890  -1.020
   18   1HB   ASP   3           HB2      ASP   3  85.498   5.020  -0.167
   19   2HB   ASP   3           HB1      ASP   3  85.575   4.193   1.390
   20    H    ILE   4           HN       ILE   4  83.832   3.463   2.483
   21    HA   ILE   4           HA       ILE   4  84.369   0.755   3.279
   22    HB   ILE   4           HB       ILE   4  83.569   1.532   5.412
   23   1HG1  ILE   4          HG12      ILE   4  82.245   3.828   3.936
   24   2HG1  ILE   4          HG11      ILE   4  81.386   2.391   4.493
   25   1HG2  ILE   4          HG22      ILE   4  85.336   3.061   3.792
   26   2HG2  ILE   4          HG21      ILE   4  84.367   4.204   4.723
   27   3HG2  ILE   4          HG23      ILE   4  85.303   2.959   5.553
   28   1HD1  ILE   4          HD11      ILE   4  82.244   2.890   6.818
   29   2HD1  ILE   4          HD13      ILE   4  82.845   4.426   6.196
   30   3HD1  ILE   4          HD12      ILE   4  81.114   4.088   6.185
   31    H    TYR   5           HN       TYR   5  81.483   2.385   2.110
   32    HA   TYR   5           HA       TYR   5  79.593   0.353   2.986
   33   1HB   TYR   5           HB2      TYR   5  79.511   2.544   0.886
   34   2HB   TYR   5           HB1      TYR   5  78.102   1.629   1.423
   35    HD1  TYR   5           HD1      TYR   5  77.535   1.651   3.928
   36    HD2  TYR   5           HD2      TYR   5  80.260   4.423   2.102
   37    HE1  TYR   5           HE1      TYR   5  77.279   3.178   5.866
   38    HE2  TYR   5           HE2      TYR   5  80.004   5.951   4.040
   39    HH   TYR   5           HH       TYR   5  77.549   5.706   6.259
   40    H    LYS   6           HN       LYS   6  81.718   0.750   0.239
   41    HA   LYS   6           HA       LYS   6  80.456  -0.819  -1.736
   42   1HB   LYS   6           HB2      LYS   6  82.790   0.514  -1.462
   43   2HB   LYS   6           HB1      LYS   6  83.383  -1.139  -1.289
   44   1HG   LYS   6           HG2      LYS   6  83.428  -1.109  -3.567
   45   2HG   LYS   6           HG1      LYS   6  81.697  -1.417  -3.419
   46   1HD   LYS   6           HD2      LYS   6  81.466   0.478  -4.651
   47   2HD   LYS   6           HD1      LYS   6  81.799   1.311  -3.132
   48   1HE   LYS   6           HE2      LYS   6  84.244   0.427  -4.510
   49   2HE   LYS   6           HE1      LYS   6  83.296   1.607  -5.438
   50   1HZ   LYS   6           HZ2      LYS   6  83.047   2.784  -3.187
   51   2HZ   LYS   6           HZ1      LYS   6  84.388   1.858  -2.706
   52   3HZ   LYS   6           HZ3      LYS   6  84.528   2.937  -4.008
   53    H    ALA   7           HN       ALA   7  81.993  -1.797   1.259
   54    HA   ALA   7           HA       ALA   7  82.301  -4.607   0.539
   55   1HB   ALA   7           HB1      ALA   7  82.857  -2.779   2.732
   56   2HB   ALA   7           HB3      ALA   7  82.212  -4.305   3.333
   57   3HB   ALA   7           HB2      ALA   7  83.658  -4.295   2.324
   58    H    ALA   8           HN       ALA   8  79.792  -2.624   2.022
   59    HA   ALA   8           HA       ALA   8  78.189  -4.566   3.279
   60   1HB   ALA   8           HB2      ALA   8  78.052  -1.864   2.420
   61   2HB   ALA   8           HB1      ALA   8  76.595  -2.657   1.819
   62   3HB   ALA   8           HB3      ALA   8  76.966  -2.685   3.543
   63    H    VAL   9           HN       VAL   9  78.203  -3.578  -0.159
   64    HA   VAL   9           HA       VAL   9  76.154  -5.549  -0.878
   65    HB   VAL   9           HB       VAL   9  78.026  -3.862  -2.570
   66   1HG1  VAL   9          HG13      VAL   9  75.773  -5.685  -3.130
   67   2HG1  VAL   9          HG12      VAL   9  75.656  -4.113  -3.921
   68   3HG1  VAL   9          HG11      VAL   9  77.067  -5.134  -4.195
   69   1HG2  VAL   9          HG21      VAL   9  75.707  -3.194  -0.901
   70   2HG2  VAL   9          HG23      VAL   9  76.902  -2.126  -1.639
   71   3HG2  VAL   9          HG22      VAL   9  75.517  -2.683  -2.578
   72    H    GLU  10           HN       GLU  10  79.665  -5.374  -0.838
   73    HA   GLU  10           HA       GLU  10  80.297  -7.453  -2.674
   74   1HB   GLU  10           HB2      GLU  10  81.591  -5.736  -0.905
   75   2HB   GLU  10           HB1      GLU  10  81.963  -7.339  -0.269
   76   1HG   GLU  10           HG2      GLU  10  83.675  -7.011  -1.838
   77   2HG   GLU  10           HG1      GLU  10  82.486  -7.933  -2.760
   78    H    GLN  11           HN       GLN  11  78.767  -7.588   0.421
   79    HA   GLN  11           HA       GLN  11  79.525 -10.373   0.992
   80   1HB   GLN  11           HB2      GLN  11  78.012  -8.139   2.229
   81   2HB   GLN  11           HB1      GLN  11  77.476  -9.760   2.673
   82   1HG   GLN  11           HG2      GLN  11  79.826 -10.341   3.264
   83   2HG   GLN  11           HG1      GLN  11  80.300  -8.679   2.910
   84   1HE2  GLN  11          HE22      GLN  11  79.650  -7.939   6.303
   85   2HE2  GLN  11          HE21      GLN  11  80.796  -7.984   5.051
   86    H    LEU  12           HN       LEU  12  77.014  -8.689  -0.729
   87    HA   LEU  12           HA       LEU  12  75.046 -10.850  -0.607
   88   1HB   LEU  12           HB2      LEU  12  75.358  -8.405  -2.383
   89   2HB   LEU  12           HB1      LEU  12  73.902  -9.395  -2.272
   90    HG   LEU  12           HG       LEU  12  75.146  -8.125   0.169
   91   1HD1  LEU  12          HD13      LEU  12  74.508  -6.450  -1.682
   92   2HD1  LEU  12          HD12      LEU  12  72.842  -6.953  -1.396
   93   3HD1  LEU  12          HD11      LEU  12  73.773  -6.206  -0.097
   94   1HD2  LEU  12          HD22      LEU  12  73.493  -9.994   0.414
   95   2HD2  LEU  12          HD21      LEU  12  72.923  -8.475   1.105
   96   3HD2  LEU  12          HD23      LEU  12  72.315  -9.016  -0.460
   97    H    THR  13           HN       THR  13  74.746 -12.474  -2.146
   98    HA   THR  13           HA       THR  13  76.927 -12.850  -4.126
   99    HB   THR  13           HB       THR  13  76.021 -15.130  -4.208
  100    HG1  THR  13           HG1      THR  13  73.938 -15.181  -3.964
  101   1HG2  THR  13          HG22      THR  13  76.141 -13.986  -1.405
  102   2HG2  THR  13          HG21      THR  13  76.221 -15.706  -1.790
  103   3HG2  THR  13          HG23      THR  13  77.498 -14.619  -2.337
  104    H    GLU  14           HN       GLU  14  75.896 -14.084  -6.213
  105    HA   GLU  14           HA       GLU  14  74.396 -12.067  -7.650
  106   1HB   GLU  14           HB2      GLU  14  76.115 -14.049  -8.290
  107   2HB   GLU  14           HB1      GLU  14  74.594 -14.872  -8.636
  108   1HG   GLU  14           HG2      GLU  14  73.920 -13.134 -10.169
  109   2HG   GLU  14           HG1      GLU  14  75.290 -12.124  -9.706
  110    H    GLU  15           HN       GLU  15  73.554 -15.074  -6.003
  111    HA   GLU  15           HA       GLU  15  70.854 -15.222  -7.110
  112   1HB   GLU  15           HB2      GLU  15  72.492 -16.592  -4.993
  113   2HB   GLU  15           HB1      GLU  15  70.753 -16.881  -5.062
  114   1HG   GLU  15           HG2      GLU  15  70.867 -17.931  -7.124
  115   2HG   GLU  15           HG1      GLU  15  72.320 -17.055  -7.606
  116    H    GLN  16           HN       GLN  16  72.357 -13.900  -4.184
  117    HA   GLN  16           HA       GLN  16  69.880 -13.383  -2.770
  118   1HB   GLN  16           HB2      GLN  16  72.731 -12.384  -2.599
  119   2HB   GLN  16           HB1      GLN  16  71.484 -11.854  -1.471
  120   1HG   GLN  16           HG2      GLN  16  71.106 -14.551  -1.404
  121   2HG   GLN  16           HG1      GLN  16  72.847 -14.470  -1.681
  122   1HE2  GLN  16          HE22      GLN  16  71.419 -12.672   1.744
  123   2HE2  GLN  16          HE21      GLN  16  70.462 -12.644   0.341
  124    H    LYS  17           HN       LYS  17  72.004 -11.406  -4.852
  125    HA   LYS  17           HA       LYS  17  70.760  -8.893  -4.563
  126   1HB   LYS  17           HB2      LYS  17  72.424 -10.343  -6.520
  127   2HB   LYS  17           HB1      LYS  17  71.485  -9.022  -7.216
  128   1HG   LYS  17           HG2      LYS  17  72.968  -7.553  -6.382
  129   2HG   LYS  17           HG1      LYS  17  72.550  -8.081  -4.752
  130   1HD   LYS  17           HD2      LYS  17  74.477  -9.236  -4.533
  131   2HD   LYS  17           HD1      LYS  17  74.281  -9.997  -6.111
  132   1HE   LYS  17           HE2      LYS  17  75.077  -7.843  -7.168
  133   2HE   LYS  17           HE1      LYS  17  75.468  -7.264  -5.537
  134   1HZ   LYS  17           HZ3      LYS  17  76.402  -9.868  -6.607
  135   2HZ   LYS  17           HZ2      LYS  17  77.329  -8.446  -6.698
  136   3HZ   LYS  17           HZ1      LYS  17  76.909  -9.095  -5.184
  137    H    ASN  18           HN       ASN  18  69.778 -11.694  -6.498
  138    HA   ASN  18           HA       ASN  18  67.812 -10.505  -8.149
  139   1HB   ASN  18           HB2      ASN  18  68.701 -13.094  -7.297
  140   2HB   ASN  18           HB1      ASN  18  66.938 -13.070  -7.244
  141   1HD2  ASN  18          HD22      ASN  18  68.592 -13.578 -10.780
  142   2HD2  ASN  18          HD21      ASN  18  69.280 -13.998  -9.286
  143    H    GLU  19           HN       GLU  19  67.615 -11.586  -4.768
  144    HA   GLU  19           HA       GLU  19  64.818 -11.412  -4.370
  145   1HB   GLU  19           HB2      GLU  19  67.269 -11.586  -2.855
  146   2HB   GLU  19           HB1      GLU  19  66.161 -10.471  -2.054
  147   1HG   GLU  19           HG2      GLU  19  64.565 -12.103  -1.681
  148   2HG   GLU  19           HG1      GLU  19  65.061 -13.057  -3.080
  149    H    PHE  20           HN       PHE  20  67.312  -8.868  -4.030
  150    HA   PHE  20           HA       PHE  20  65.502  -6.780  -3.233
  151   1HB   PHE  20           HB2      PHE  20  68.301  -7.134  -4.118
  152   2HB   PHE  20           HB1      PHE  20  67.629  -5.535  -4.438
  153    HD1  PHE  20           HD1      PHE  20  65.830  -5.013  -2.257
  154    HD2  PHE  20           HD2      PHE  20  69.618  -7.035  -2.190
  155    HE1  PHE  20           HE1      PHE  20  66.105  -4.418   0.135
  156    HE2  PHE  20           HE2      PHE  20  69.893  -6.441   0.202
  157    HZ   PHE  20           HZ       PHE  20  68.137  -5.132   1.365
  158    H    LYS  21           HN       LYS  21  66.759  -7.805  -6.411
  159    HA   LYS  21           HA       LYS  21  65.721  -5.690  -7.993
  160   1HB   LYS  21           HB2      LYS  21  67.305  -7.328  -8.823
  161   2HB   LYS  21           HB1      LYS  21  66.167  -8.643  -8.530
  162   1HG   LYS  21           HG2      LYS  21  64.594  -7.274 -10.125
  163   2HG   LYS  21           HG1      LYS  21  66.098  -6.526 -10.662
  164   1HD   LYS  21           HD2      LYS  21  66.908  -8.481 -11.585
  165   2HD   LYS  21           HD1      LYS  21  66.026  -9.505 -10.451
  166   1HE   LYS  21           HE2      LYS  21  65.102  -9.606 -12.793
  167   2HE   LYS  21           HE1      LYS  21  63.914  -9.019 -11.614
  168   1HZ   LYS  21           HZ2      LYS  21  65.697  -7.288 -13.246
  169   2HZ   LYS  21           HZ1      LYS  21  64.053  -7.565 -13.573
  170   3HZ   LYS  21           HZ3      LYS  21  64.508  -6.757 -12.154
  171    H    ALA  22           HN       ALA  22  64.175  -8.670  -6.816
  172    HA   ALA  22           HA       ALA  22  61.721  -8.296  -8.331
  173   1HB   ALA  22           HB3      ALA  22  62.987 -10.227  -6.667
  174   2HB   ALA  22           HB2      ALA  22  61.411  -9.887  -5.953
  175   3HB   ALA  22           HB1      ALA  22  61.522 -10.431  -7.627
  176    H    ALA  23           HN       ALA  23  62.960  -7.035  -5.334
  177    HA   ALA  23           HA       ALA  23  60.231  -6.135  -4.508
  178   1HB   ALA  23           HB3      ALA  23  62.830  -6.757  -3.201
  179   2HB   ALA  23           HB2      ALA  23  61.890  -5.453  -2.478
  180   3HB   ALA  23           HB1      ALA  23  61.188  -7.064  -2.634
  181    H    PHE  24           HN       PHE  24  63.565  -4.881  -4.922
  182    HA   PHE  24           HA       PHE  24  63.004  -2.130  -4.505
  183   1HB   PHE  24           HB2      PHE  24  65.249  -3.031  -4.595
  184   2HB   PHE  24           HB1      PHE  24  65.004  -3.603  -6.245
  185    HD1  PHE  24           HD1      PHE  24  64.440  -1.828  -8.044
  186    HD2  PHE  24           HD2      PHE  24  66.116  -0.881  -4.206
  187    HE1  PHE  24           HE1      PHE  24  65.213   0.359  -8.921
  188    HE2  PHE  24           HE2      PHE  24  66.890   1.306  -5.082
  189    HZ   PHE  24           HZ       PHE  24  66.438   1.927  -7.440
  190    H    ASP  25           HN       ASP  25  62.946  -4.056  -7.514
  191    HA   ASP  25           HA       ASP  25  62.250  -1.904  -9.279
  192   1HB   ASP  25           HB2      ASP  25  63.180  -4.063  -9.985
  193   2HB   ASP  25           HB1      ASP  25  61.744  -4.896  -9.389
  194    H    ILE  26           HN       ILE  26  60.444  -3.360  -6.800
  195    HA   ILE  26           HA       ILE  26  57.812  -3.341  -8.010
  196    HB   ILE  26           HB       ILE  26  58.651  -3.118  -5.101
  197   1HG1  ILE  26          HG12      ILE  26  59.788  -5.003  -6.211
  198   2HG1  ILE  26          HG11      ILE  26  58.542  -5.596  -5.111
  199   1HG2  ILE  26          HG23      ILE  26  56.112  -3.219  -6.407
  200   2HG2  ILE  26          HG22      ILE  26  56.352  -4.753  -5.572
  201   3HG2  ILE  26          HG21      ILE  26  56.446  -3.238  -4.676
  202   1HD1  ILE  26          HD13      ILE  26  57.056  -5.374  -7.340
  203   2HD1  ILE  26          HD12      ILE  26  58.629  -5.656  -8.086
  204   3HD1  ILE  26          HD11      ILE  26  57.966  -6.836  -6.956
  205    H    PHE  27           HN       PHE  27  59.884  -0.830  -6.906
  206    HA   PHE  27           HA       PHE  27  57.606   1.096  -7.081
  207   1HB   PHE  27           HB2      PHE  27  59.715   0.968  -4.901
  208   2HB   PHE  27           HB1      PHE  27  58.443   2.185  -5.026
  209    HD1  PHE  27           HD1      PHE  27  55.988   1.287  -5.163
  210    HD2  PHE  27           HD2      PHE  27  59.314  -1.002  -3.697
  211    HE1  PHE  27           HE1      PHE  27  54.423  -0.221  -3.967
  212    HE2  PHE  27           HE2      PHE  27  57.749  -2.510  -2.501
  213    HZ   PHE  27           HZ       PHE  27  55.304  -2.119  -2.636
  214    H    VAL  28           HN       VAL  28  59.383   0.747  -9.173
  215    HA   VAL  28           HA       VAL  28  61.340   3.001  -8.880
  216    HB   VAL  28           HB       VAL  28  61.225   0.752 -10.916
  217   1HG1  VAL  28          HG11      VAL  28  62.596   3.144 -10.998
  218   2HG1  VAL  28          HG13      VAL  28  63.781   2.050 -10.283
  219   3HG1  VAL  28          HG12      VAL  28  63.069   1.675 -11.851
  220   1HG2  VAL  28          HG21      VAL  28  62.790   1.028  -8.331
  221   2HG2  VAL  28          HG23      VAL  28  61.568  -0.190  -8.697
  222   3HG2  VAL  28          HG22      VAL  28  63.108  -0.201  -9.555
  223    H    LEU  29           HN       LEU  29  58.352   3.056  -9.552
  224    HA   LEU  29           HA       LEU  29  57.941   3.632 -12.312
  225   1HB   LEU  29           HB2      LEU  29  55.938   4.823 -11.416
  226   2HB   LEU  29           HB1      LEU  29  56.165   3.245 -10.660
  227    HG   LEU  29           HG       LEU  29  57.686   5.007  -9.100
  228   1HD1  LEU  29          HD13      LEU  29  55.815   6.551 -10.486
  229   2HD1  LEU  29          HD12      LEU  29  55.068   6.272  -8.913
  230   3HD1  LEU  29          HD11      LEU  29  56.665   7.017  -9.012
  231   1HD2  LEU  29          HD22      LEU  29  55.899   3.016  -8.702
  232   2HD2  LEU  29          HD21      LEU  29  56.418   4.103  -7.414
  233   3HD2  LEU  29          HD23      LEU  29  54.898   4.400  -8.259
  234    H    GLY  30           HN       GLY  30  59.858   4.918 -12.916
  235   1HA   GLY  30           HA2      GLY  30  60.301   7.188 -13.692
  236   2HA   GLY  30           HA1      GLY  30  59.486   7.798 -12.251
  237    H    ALA  31           HN       ALA  31  61.242   9.041 -11.503
  238    HA   ALA  31           HA       ALA  31  63.256   9.416 -10.325
  239   1HB   ALA  31           HB3      ALA  31  62.002   7.369  -9.180
  240   2HB   ALA  31           HB2      ALA  31  63.388   6.469  -9.796
  241   3HB   ALA  31           HB1      ALA  31  63.634   7.813  -8.681
  242    H    GLU  32           HN       GLU  32  64.149   9.711 -12.616
  243    HA   GLU  32           HA       GLU  32  65.949   9.393 -14.107
  244   1HB   GLU  32           HB2      GLU  32  66.824   7.348 -12.043
  245   2HB   GLU  32           HB1      GLU  32  67.852   8.217 -13.182
  246   1HG   GLU  32           HG2      GLU  32  67.947  10.051 -11.863
  247   2HG   GLU  32           HG1      GLU  32  66.214  10.008 -11.539
  248    H    ASP  33           HN       ASP  33  65.546   6.100 -12.740
  249    HA   ASP  33           HA       ASP  33  64.080   5.030 -14.958
  250   1HB   ASP  33           HB2      ASP  33  66.154   3.812 -15.936
  251   2HB   ASP  33           HB1      ASP  33  65.944   5.518 -16.332
  252    H    GLY  34           HN       GLY  34  66.502   4.439 -12.433
  253   1HA   GLY  34           HA2      GLY  34  65.036   1.932 -11.758
  254   2HA   GLY  34           HA1      GLY  34  66.794   1.887 -11.912
  255    H    CYS  35           HN       CYS  35  64.532   4.202 -10.378
  256    HA   CYS  35           HA       CYS  35  65.961   3.741  -7.787
  257   1HB   CYS  35           HB2      CYS  35  65.260   6.412  -9.053
  258   2HB   CYS  35           HB1      CYS  35  66.084   6.183  -7.510
  259    HG   CYS  35           HG       CYS  35  67.550   4.823  -9.819
  260    H    ILE  36           HN       ILE  36  64.630   4.308  -5.911
  261    HA   ILE  36           HA       ILE  36  61.703   4.356  -6.560
  262    HB   ILE  36           HB       ILE  36  61.445   3.184  -4.443
  263   1HG1  ILE  36          HG12      ILE  36  64.424   3.668  -4.141
  264   2HG1  ILE  36          HG11      ILE  36  63.147   4.373  -3.149
  265   1HG2  ILE  36          HG21      ILE  36  63.577   2.207  -6.325
  266   2HG2  ILE  36          HG23      ILE  36  63.157   1.256  -4.900
  267   3HG2  ILE  36          HG22      ILE  36  61.929   1.616  -6.113
  268   1HD1  ILE  36          HD13      ILE  36  62.854   1.502  -3.232
  269   2HD1  ILE  36          HD12      ILE  36  64.486   1.926  -2.715
  270   3HD1  ILE  36          HD11      ILE  36  63.092   2.550  -1.834
  271    H    SER  37           HN       SER  37  60.356   5.521  -4.890
  272    HA   SER  37           HA       SER  37  61.538   8.156  -4.307
  273   1HB   SER  37           HB2      SER  37  58.969   6.977  -4.812
  274   2HB   SER  37           HB1      SER  37  58.897   7.835  -3.276
  275    HG   SER  37           HG       SER  37  58.607   8.964  -5.490
  276    H    THR  38           HN       THR  38  62.419   8.648  -2.339
  277    HA   THR  38           HA       THR  38  62.841   6.926  -0.198
  278    HB   THR  38           HB       THR  38  63.021   9.092   1.120
  279    HG1  THR  38           HG1      THR  38  61.268   9.957  -0.405
  280   1HG2  THR  38          HG23      THR  38  64.262   8.863  -1.630
  281   2HG2  THR  38          HG22      THR  38  64.772  10.060  -0.439
  282   3HG2  THR  38          HG21      THR  38  64.951   8.340  -0.093
  283    H    LYS  39           HN       LYS  39  59.876   8.579  -1.046
  284    HA   LYS  39           HA       LYS  39  58.596   8.304   1.556
  285   1HB   LYS  39           HB2      LYS  39  57.299   8.618  -1.161
  286   2HB   LYS  39           HB1      LYS  39  56.708   9.205   0.394
  287   1HG   LYS  39           HG2      LYS  39  59.213  10.365   0.221
  288   2HG   LYS  39           HG1      LYS  39  58.638  10.426  -1.446
  289   1HD   LYS  39           HD2      LYS  39  57.183  12.071  -0.952
  290   2HD   LYS  39           HD1      LYS  39  56.509  11.138   0.384
  291   1HE   LYS  39           HE2      LYS  39  58.735  11.848   1.621
  292   2HE   LYS  39           HE1      LYS  39  58.730  13.160   0.426
  293   1HZ   LYS  39           HZ3      LYS  39  56.291  13.412   1.013
  294   2HZ   LYS  39           HZ2      LYS  39  56.619  12.456   2.378
  295   3HZ   LYS  39           HZ1      LYS  39  57.405  13.948   2.173
  296    H    GLU  40           HN       GLU  40  59.458   6.029  -0.759
  297    HA   GLU  40           HA       GLU  40  57.146   4.258  -0.049
  298   1HB   GLU  40           HB2      GLU  40  57.372   3.310  -2.200
  299   2HB   GLU  40           HB1      GLU  40  57.697   5.021  -2.478
  300   1HG   GLU  40           HG2      GLU  40  59.540   4.155  -3.549
  301   2HG   GLU  40           HG1      GLU  40  60.198   4.215  -1.913
  302    H    LEU  41           HN       LEU  41  60.648   4.583  -0.100
  303    HA   LEU  41           HA       LEU  41  61.645   2.029   0.195
  304   1HB   LEU  41           HB2      LEU  41  62.664   4.442   0.475
  305   2HB   LEU  41           HB1      LEU  41  62.383   4.155   2.192
  306    HG   LEU  41           HG       LEU  41  63.916   2.271   0.379
  307   1HD1  LEU  41          HD11      LEU  41  64.738   4.758   1.376
  308   2HD1  LEU  41          HD13      LEU  41  65.431   3.578   2.488
  309   3HD1  LEU  41          HD12      LEU  41  65.782   3.477   0.762
  310   1HD2  LEU  41          HD22      LEU  41  63.180   2.327   3.291
  311   2HD2  LEU  41          HD21      LEU  41  63.161   0.970   2.166
  312   3HD2  LEU  41          HD23      LEU  41  64.694   1.568   2.800
  313    H    GLY  42           HN       GLY  42  59.724   3.824   2.573
  314   1HA   GLY  42           HA2      GLY  42  60.085   2.266   4.867
  315   2HA   GLY  42           HA1      GLY  42  58.546   3.022   4.447
  316    H    LYS  43           HN       LYS  43  57.653   1.703   2.292
  317    HA   LYS  43           HA       LYS  43  56.750  -0.823   3.314
  318   1HB   LYS  43           HB2      LYS  43  56.440   0.906   0.985
  319   2HB   LYS  43           HB1      LYS  43  56.425  -0.797   0.529
  320   1HG   LYS  43           HG2      LYS  43  54.189  -0.515   1.059
  321   2HG   LYS  43           HG1      LYS  43  54.816  -0.989   2.639
  322   1HD   LYS  43           HD2      LYS  43  53.553   0.941   3.115
  323   2HD   LYS  43           HD1      LYS  43  55.205   1.552   3.009
  324   1HE   LYS  43           HE2      LYS  43  54.795   2.188   0.632
  325   2HE   LYS  43           HE1      LYS  43  53.113   1.651   0.805
  326   1HZ   LYS  43           HZ2      LYS  43  54.363   3.567   2.686
  327   2HZ   LYS  43           HZ1      LYS  43  53.554   4.083   1.284
  328   3HZ   LYS  43           HZ3      LYS  43  52.711   3.226   2.480
  329    H    VAL  44           HN       VAL  44  59.501   0.120   1.353
  330    HA   VAL  44           HA       VAL  44  60.109  -2.544   0.349
  331    HB   VAL  44           HB       VAL  44  61.493   0.131   0.537
  332   1HG1  VAL  44          HG11      VAL  44  63.191  -1.687   0.805
  333   2HG1  VAL  44          HG13      VAL  44  62.639  -2.377  -0.722
  334   3HG1  VAL  44          HG12      VAL  44  63.384  -0.778  -0.694
  335   1HG2  VAL  44          HG21      VAL  44  59.633  -0.842  -1.202
  336   2HG2  VAL  44          HG23      VAL  44  60.832   0.377  -1.635
  337   3HG2  VAL  44          HG22      VAL  44  61.122  -1.319  -2.019
  338    H    MET  45           HN       MET  45  61.127  -0.582   3.129
  339    HA   MET  45           HA       MET  45  63.265  -2.288   4.015
  340   1HB   MET  45           HB2      MET  45  61.510  -0.131   5.138
  341   2HB   MET  45           HB1      MET  45  62.516  -1.058   6.252
  342   1HG   MET  45           HG2      MET  45  63.882  -0.134   3.795
  343   2HG   MET  45           HG1      MET  45  63.392   1.143   4.908
  344   1HE   MET  45           HE3      MET  45  64.997   2.057   6.259
  345   2HE   MET  45           HE2      MET  45  66.561   1.354   6.662
  346   3HE   MET  45           HE1      MET  45  66.123   1.601   4.974
  347    H    ARG  46           HN       ARG  46  59.825  -2.068   5.003
  348    HA   ARG  46           HA       ARG  46  59.946  -4.245   6.888
  349   1HB   ARG  46           HB2      ARG  46  57.487  -4.050   6.759
  350   2HB   ARG  46           HB1      ARG  46  58.232  -2.452   6.829
  351   1HG   ARG  46           HG2      ARG  46  57.981  -2.153   4.447
  352   2HG   ARG  46           HG1      ARG  46  57.452  -3.823   4.243
  353   1HD   ARG  46           HD2      ARG  46  55.771  -2.591   6.218
  354   2HD   ARG  46           HD1      ARG  46  55.821  -1.549   4.783
  355    HE   ARG  46           HE       ARG  46  55.455  -4.460   4.337
  356   1HH1  ARG  46          HH21      ARG  46  53.887  -1.481   4.948
  357   2HH1  ARG  46          HH22      ARG  46  52.622  -1.744   3.795
  358   1HH2  ARG  46          HH11      ARG  46  53.954  -4.719   2.613
  359   2HH2  ARG  46          HH12      ARG  46  52.659  -3.577   2.473
  360    H    MET  47           HN       MET  47  59.549  -4.084   3.408
  361    HA   MET  47           HA       MET  47  58.285  -6.544   2.846
  362   1HB   MET  47           HB2      MET  47  60.185  -4.670   1.536
  363   2HB   MET  47           HB1      MET  47  60.085  -6.284   0.830
  364   1HG   MET  47           HG2      MET  47  57.425  -5.454   1.394
  365   2HG   MET  47           HG1      MET  47  58.225  -4.112   0.577
  366   1HE   MET  47           HE2      MET  47  57.246  -3.842  -1.134
  367   2HE   MET  47           HE1      MET  47  57.963  -4.471  -2.615
  368   3HE   MET  47           HE3      MET  47  56.365  -5.023  -2.099
  369    H    LEU  48           HN       LEU  48  61.606  -5.876   3.846
  370    HA   LEU  48           HA       LEU  48  62.356  -8.733   3.467
  371   1HB   LEU  48           HB2      LEU  48  63.810  -6.149   4.060
  372   2HB   LEU  48           HB1      LEU  48  64.621  -7.711   4.167
  373    HG   LEU  48           HG       LEU  48  63.259  -7.806   1.728
  374   1HD1  LEU  48          HD13      LEU  48  64.569  -5.102   2.152
  375   2HD1  LEU  48          HD12      LEU  48  64.075  -5.743   0.585
  376   3HD1  LEU  48          HD11      LEU  48  62.862  -5.395   1.818
  377   1HD2  LEU  48          HD23      LEU  48  65.908  -7.986   2.765
  378   2HD2  LEU  48          HD22      LEU  48  65.313  -8.574   1.212
  379   3HD2  LEU  48          HD21      LEU  48  65.970  -6.942   1.344
  380    H    GLY  49           HN       GLY  49  61.451  -6.459   5.937
  381   1HA   GLY  49           HA2      GLY  49  60.769  -7.968   8.013
  382   2HA   GLY  49           HA1      GLY  49  62.517  -8.204   8.088
  383    H    GLN  50           HN       GLN  50  63.485  -5.699   7.484
  384    HA   GLN  50           HA       GLN  50  63.273  -4.288   9.948
  385   1HB   GLN  50           HB2      GLN  50  64.247  -3.675   7.161
  386   2HB   GLN  50           HB1      GLN  50  64.301  -2.435   8.416
  387   1HG   GLN  50           HG2      GLN  50  66.365  -3.396   8.775
  388   2HG   GLN  50           HG1      GLN  50  65.392  -4.441   9.811
  389   1HE2  GLN  50          HE22      GLN  50  66.519  -5.937   6.139
  390   2HE2  GLN  50          HE21      GLN  50  66.239  -4.270   6.296
  391    H    ASN  51           HN       ASN  51  61.584  -3.064  10.681
  392    HA   ASN  51           HA       ASN  51  59.767  -1.796   8.655
  393   1HB   ASN  51           HB2      ASN  51  59.153  -2.731  11.476
  394   2HB   ASN  51           HB1      ASN  51  57.987  -2.197  10.267
  395   1HD2  ASN  51          HD22      ASN  51  58.743  -6.045  10.362
  396   2HD2  ASN  51          HD21      ASN  51  58.823  -4.966  11.669
  397    HA   PRO  52           HA       PRO  52  61.768   1.436  11.366
  398   1HB   PRO  52           HB2      PRO  52  62.777   2.959   9.331
  399   2HB   PRO  52           HB1      PRO  52  63.669   1.609  10.061
  400   1HG   PRO  52           HG2      PRO  52  62.154   1.715   7.504
  401   2HG   PRO  52           HG1      PRO  52  63.668   0.881   7.886
  402   1HD   PRO  52           HD2      PRO  52  61.236  -0.366   7.732
  403   2HD   PRO  52           HD1      PRO  52  62.597  -0.958   8.712
  404    H    THR  53           HN       THR  53  61.370   3.952  11.025
  405    HA   THR  53           HA       THR  53  58.542   4.251  10.110
  406    HB   THR  53           HB       THR  53  58.441   6.015  11.713
  407    HG1  THR  53           HG1      THR  53  60.110   7.211  12.141
  408   1HG2  THR  53          HG23      THR  53  59.090   3.502  12.478
  409   2HG2  THR  53          HG22      THR  53  60.427   4.394  13.204
  410   3HG2  THR  53          HG21      THR  53  58.762   4.803  13.623
  411    HA   PRO  54           HA       PRO  54  59.773   6.855   6.793
  412   1HB   PRO  54           HB2      PRO  54  57.616   8.529   6.637
  413   2HB   PRO  54           HB1      PRO  54  57.561   6.832   6.120
  414   1HG   PRO  54           HG2      PRO  54  56.564   8.078   8.627
  415   2HG   PRO  54           HG1      PRO  54  55.868   6.768   7.663
  416   1HD   PRO  54           HD2      PRO  54  57.263   6.383   9.989
  417   2HD   PRO  54           HD1      PRO  54  57.122   5.167   8.700
  418    H    GLU  55           HN       GLU  55  59.102   8.157   9.935
  419    HA   GLU  55           HA       GLU  55  59.933  10.904   9.298
  420   1HB   GLU  55           HB2      GLU  55  58.291  10.569  11.012
  421   2HB   GLU  55           HB1      GLU  55  59.275   9.342  11.808
  422   1HG   GLU  55           HG2      GLU  55  60.419  10.897  12.975
  423   2HG   GLU  55           HG1      GLU  55  60.728  11.848  11.521
  424    H    GLU  56           HN       GLU  56  61.323   8.094  11.019
  425    HA   GLU  56           HA       GLU  56  63.824   9.459  11.632
  426   1HB   GLU  56           HB2      GLU  56  62.469   6.917  12.106
  427   2HB   GLU  56           HB1      GLU  56  64.190   6.692  11.790
  428   1HG   GLU  56           HG2      GLU  56  64.532   8.645  13.469
  429   2HG   GLU  56           HG1      GLU  56  62.875   8.303  13.972
  430    H    LEU  57           HN       LEU  57  62.663   7.307   9.067
  431    HA   LEU  57           HA       LEU  57  65.125   6.565   7.884
  432   1HB   LEU  57           HB2      LEU  57  62.368   6.387   7.377
  433   2HB   LEU  57           HB1      LEU  57  63.037   7.189   5.955
  434    HG   LEU  57           HG       LEU  57  64.811   5.368   5.906
  435   1HD1  LEU  57          HD11      LEU  57  63.686   4.746   8.392
  436   2HD1  LEU  57          HD13      LEU  57  63.125   3.463   7.321
  437   3HD1  LEU  57          HD12      LEU  57  64.852   3.770   7.499
  438   1HD2  LEU  57          HD22      LEU  57  61.899   4.572   5.589
  439   2HD2  LEU  57          HD21      LEU  57  62.903   5.346   4.363
  440   3HD2  LEU  57          HD23      LEU  57  63.264   3.702   4.890
  441    H    GLN  58           HN       GLN  58  63.614   9.668   8.068
  442    HA   GLN  58           HA       GLN  58  64.813  10.835   5.688
  443   1HB   GLN  58           HB2      GLN  58  62.756  11.637   6.851
  444   2HB   GLN  58           HB1      GLN  58  63.748  12.093   8.236
  445   1HG   GLN  58           HG2      GLN  58  63.752  14.115   7.138
  446   2HG   GLN  58           HG1      GLN  58  65.125  13.370   6.318
  447   1HE2  GLN  58          HE22      GLN  58  63.331  12.835   3.256
  448   2HE2  GLN  58          HE21      GLN  58  64.625  12.260   4.191
  449    H    GLU  59           HN       GLU  59  65.833  10.317   9.003
  450    HA   GLU  59           HA       GLU  59  67.962  12.266   9.069
  451   1HB   GLU  59           HB2      GLU  59  66.720  10.895  10.924
  452   2HB   GLU  59           HB1      GLU  59  67.933   9.661  10.581
  453   1HG   GLU  59           HG2      GLU  59  69.229  12.221  10.783
  454   2HG   GLU  59           HG1      GLU  59  68.227  11.964  12.213
  455    H    MET  60           HN       MET  60  67.658   9.068   7.701
  456    HA   MET  60           HA       MET  60  70.584   8.711   7.428
  457   1HB   MET  60           HB2      MET  60  68.229   7.103   7.528
  458   2HB   MET  60           HB1      MET  60  68.992   6.821   5.963
  459   1HG   MET  60           HG2      MET  60  71.117   6.881   7.792
  460   2HG   MET  60           HG1      MET  60  69.850   5.956   8.600
  461   1HE   MET  60           HE1      MET  60  68.336   4.303   7.182
  462   2HE   MET  60           HE3      MET  60  69.239   2.893   6.611
  463   3HE   MET  60           HE2      MET  60  69.503   3.514   8.239
  464    H    ILE  61           HN       ILE  61  67.731   9.228   5.345
  465    HA   ILE  61           HA       ILE  61  69.051   9.142   2.824
  466    HB   ILE  61           HB       ILE  61  66.606  10.551   3.914
  467   1HG1  ILE  61          HG12      ILE  61  66.454   8.454   1.828
  468   2HG1  ILE  61          HG11      ILE  61  67.073   7.915   3.389
  469   1HG2  ILE  61          HG21      ILE  61  67.993  11.089   1.452
  470   2HG2  ILE  61          HG23      ILE  61  66.452  10.313   1.088
  471   3HG2  ILE  61          HG22      ILE  61  66.489  11.796   2.042
  472   1HD1  ILE  61          HD11      ILE  61  64.953   9.474   4.155
  473   2HD1  ILE  61          HD13      ILE  61  64.356   8.783   2.646
  474   3HD1  ILE  61          HD12      ILE  61  64.881   7.723   3.954
  475    H    ASP  62           HN       ASP  62  68.451  11.885   5.037
  476    HA   ASP  62           HA       ASP  62  69.694  13.858   3.310
  477   1HB   ASP  62           HB2      ASP  62  68.083  13.803   5.554
  478   2HB   ASP  62           HB1      ASP  62  69.622  14.364   6.208
  479    H    GLU  63           HN       GLU  63  71.003  11.334   5.116
  480    HA   GLU  63           HA       GLU  63  73.626  12.775   5.365
  481   1HB   GLU  63           HB2      GLU  63  72.361  10.624   7.096
  482   2HB   GLU  63           HB1      GLU  63  73.988  11.266   7.328
  483   1HG   GLU  63           HG2      GLU  63  71.523  13.020   7.290
  484   2HG   GLU  63           HG1      GLU  63  72.189  12.334   8.773
  485    H    VAL  64           HN       VAL  64  71.947  10.314   3.797
  486    HA   VAL  64           HA       VAL  64  74.500   8.843   3.221
  487    HB   VAL  64           HB       VAL  64  72.562   7.776   4.607
  488   1HG1  VAL  64          HG13      VAL  64  70.828   8.568   2.916
  489   2HG1  VAL  64          HG12      VAL  64  71.451   7.326   1.829
  490   3HG1  VAL  64          HG11      VAL  64  70.727   6.867   3.371
  491   1HG2  VAL  64          HG21      VAL  64  74.570   6.701   3.249
  492   2HG2  VAL  64          HG23      VAL  64  73.296   5.683   3.922
  493   3HG2  VAL  64          HG22      VAL  64  73.268   6.119   2.212
  494    H    ASP  65           HN       ASP  65  71.425  10.059   1.960
  495    HA   ASP  65           HA       ASP  65  72.142   9.325  -0.818
  496   1HB   ASP  65           HB2      ASP  65  69.781  10.453   0.663
  497   2HB   ASP  65           HB1      ASP  65  69.853  10.611  -1.091
  498    H    GLU  66           HN       GLU  66  74.033  10.764  -1.026
  499    HA   GLU  66           HA       GLU  66  73.928  13.598  -0.580
  500   1HB   GLU  66           HB2      GLU  66  75.582  11.785  -2.360
  501   2HB   GLU  66           HB1      GLU  66  75.928  13.503  -2.152
  502   1HG   GLU  66           HG2      GLU  66  75.857  11.405   0.036
  503   2HG   GLU  66           HG1      GLU  66  77.291  12.221  -0.587
  504    H    ASP  67           HN       ASP  67  73.295  11.601  -3.470
  505    HA   ASP  67           HA       ASP  67  72.182  14.047  -4.807
  506   1HB   ASP  67           HB2      ASP  67  74.286  12.697  -5.647
  507   2HB   ASP  67           HB1      ASP  67  73.075  11.562  -6.244
  508    H    GLY  68           HN       GLY  68  71.140  11.490  -3.117
  509   1HA   GLY  68           HA2      GLY  68  69.351  10.030  -4.723
  510   2HA   GLY  68           HA1      GLY  68  69.066  10.390  -3.019
  511    H    SER  69           HN       SER  69  69.045  13.289  -3.399
  512    HA   SER  69           HA       SER  69  67.423  14.961  -3.801
  513   1HB   SER  69           HB2      SER  69  68.110  13.560  -6.189
  514   2HB   SER  69           HB1      SER  69  66.385  13.907  -6.260
  515    HG   SER  69           HG       SER  69  66.851  16.075  -5.896
  516    H    GLY  70           HN       GLY  70  66.516  12.779  -2.172
  517   1HA   GLY  70           HA2      GLY  70  64.396  12.258  -1.237
  518   2HA   GLY  70           HA1      GLY  70  63.627  13.023  -2.628
  519    H    THR  71           HN       THR  71  66.024  10.909  -3.672
  520    HA   THR  71           HA       THR  71  64.184   8.562  -3.779
  521    HB   THR  71           HB       THR  71  64.539   8.466  -6.237
  522    HG1  THR  71           HG1      THR  71  66.169  10.631  -5.589
  523   1HG2  THR  71          HG21      THR  71  63.484  11.103  -5.183
  524   2HG2  THR  71          HG23      THR  71  63.198  10.489  -6.812
  525   3HG2  THR  71          HG22      THR  71  62.558   9.621  -5.417
  526    H    VAL  72           HN       VAL  72  65.316   6.635  -3.668
  527    HA   VAL  72           HA       VAL  72  68.304   6.820  -3.678
  528    HB   VAL  72           HB       VAL  72  67.928   4.564  -2.397
  529   1HG1  VAL  72          HG11      VAL  72  67.460   7.365  -1.440
  530   2HG1  VAL  72          HG13      VAL  72  67.309   6.023  -0.305
  531   3HG1  VAL  72          HG12      VAL  72  68.836   6.297  -1.145
  532   1HG2  VAL  72          HG21      VAL  72  65.357   4.871  -3.078
  533   2HG2  VAL  72          HG23      VAL  72  65.829   4.098  -1.566
  534   3HG2  VAL  72          HG22      VAL  72  65.335   5.790  -1.574
  535    H    ASP  73           HN       ASP  73  69.497   5.109  -4.671
  536    HA   ASP  73           HA       ASP  73  67.974   3.601  -6.771
  537   1HB   ASP  73           HB2      ASP  73  70.143   3.718  -8.004
  538   2HB   ASP  73           HB1      ASP  73  69.527   5.324  -7.605
  539    H    PHE  74           HN       PHE  74  69.526   1.577  -7.419
  540    HA   PHE  74           HA       PHE  74  69.514  -0.216  -5.204
  541   1HB   PHE  74           HB2      PHE  74  69.738  -0.388  -7.906
  542   2HB   PHE  74           HB1      PHE  74  71.414  -0.685  -7.444
  543    HD1  PHE  74           HD1      PHE  74  70.357  -1.820  -4.614
  544    HD2  PHE  74           HD2      PHE  74  69.628  -2.751  -8.744
  545    HE1  PHE  74           HE1      PHE  74  69.774  -4.146  -3.987
  546    HE2  PHE  74           HE2      PHE  74  69.045  -5.077  -8.117
  547    HZ   PHE  74           HZ       PHE  74  69.117  -5.776  -5.738
  548    H    ASP  75           HN       ASP  75  71.753   2.242  -6.055
  549    HA   ASP  75           HA       ASP  75  74.087   0.997  -4.769
  550   1HB   ASP  75           HB2      ASP  75  73.527   3.080  -6.589
  551   2HB   ASP  75           HB1      ASP  75  74.218   3.865  -5.169
  552    H    GLU  76           HN       GLU  76  71.849   3.698  -4.040
  553    HA   GLU  76           HA       GLU  76  73.011   4.176  -1.407
  554   1HB   GLU  76           HB2      GLU  76  70.441   5.045  -2.770
  555   2HB   GLU  76           HB1      GLU  76  71.035   5.710  -1.248
  556   1HG   GLU  76           HG2      GLU  76  72.432   5.825  -3.937
  557   2HG   GLU  76           HG1      GLU  76  71.724   7.180  -3.061
  558    H    PHE  77           HN       PHE  77  69.867   2.844  -2.526
  559    HA   PHE  77           HA       PHE  77  68.662   2.149  -0.137
  560   1HB   PHE  77           HB2      PHE  77  67.773   1.756  -2.411
  561   2HB   PHE  77           HB1      PHE  77  68.942   0.457  -2.643
  562    HD1  PHE  77           HD2      PHE  77  67.140   1.221   0.514
  563    HD2  PHE  77           HD1      PHE  77  67.452  -1.404  -2.872
  564    HE1  PHE  77           HE2      PHE  77  65.586  -0.374   1.606
  565    HE2  PHE  77           HE1      PHE  77  65.899  -2.998  -1.780
  566    HZ   PHE  77           HZ       PHE  77  64.966  -2.484   0.460
  567    H    LEU  78           HN       LEU  78  70.929  -0.010  -1.901
  568    HA   LEU  78           HA       LEU  78  71.154  -2.064  -0.006
  569   1HB   LEU  78           HB2      LEU  78  72.907  -0.823  -2.090
  570   2HB   LEU  78           HB1      LEU  78  73.624  -2.026  -1.018
  571    HG   LEU  78           HG       LEU  78  71.011  -2.538  -2.442
  572   1HD1  LEU  78          HD13      LEU  78  73.242  -1.996  -3.861
  573   2HD1  LEU  78          HD12      LEU  78  73.534  -3.699  -3.511
  574   3HD1  LEU  78          HD11      LEU  78  72.069  -3.213  -4.364
  575   1HD2  LEU  78          HD21      LEU  78  72.987  -4.068  -0.819
  576   2HD2  LEU  78          HD23      LEU  78  71.234  -4.237  -0.906
  577   3HD2  LEU  78          HD22      LEU  78  72.250  -4.919  -2.175
  578    H    VAL  79           HN       VAL  79  73.035   0.976  -0.169
  579    HA   VAL  79           HA       VAL  79  74.709   0.456   2.097
  580    HB   VAL  79           HB       VAL  79  73.681   3.096   1.007
  581   1HG1  VAL  79          HG12      VAL  79  75.196   2.710   3.215
  582   2HG1  VAL  79          HG11      VAL  79  76.461   2.721   1.986
  583   3HG1  VAL  79          HG13      VAL  79  75.385   4.108   2.157
  584   1HG2  VAL  79          HG23      VAL  79  74.878   1.147  -0.484
  585   2HG2  VAL  79          HG22      VAL  79  75.054   2.872  -0.805
  586   3HG2  VAL  79          HG21      VAL  79  76.290   2.017   0.116
  587    H    MET  80           HN       MET  80  71.456   1.825   1.795
  588    HA   MET  80           HA       MET  80  71.295   2.758   4.545
  589   1HB   MET  80           HB2      MET  80  69.232   2.138   2.407
  590   2HB   MET  80           HB1      MET  80  68.881   2.988   3.912
  591   1HG   MET  80           HG2      MET  80  70.134   4.866   3.297
  592   2HG   MET  80           HG1      MET  80  71.088   3.964   2.119
  593   1HE   MET  80           HE2      MET  80  67.919   5.322   3.267
  594   2HE   MET  80           HE1      MET  80  68.284   6.671   2.195
  595   3HE   MET  80           HE3      MET  80  66.890   5.631   1.870
  596    H    MET  81           HN       MET  81  70.510  -0.249   2.859
  597    HA   MET  81           HA       MET  81  68.983  -1.404   5.053
  598   1HB   MET  81           HB2      MET  81  70.103  -2.199   2.405
  599   2HB   MET  81           HB1      MET  81  69.720  -3.501   3.533
  600   1HG   MET  81           HG2      MET  81  67.798  -1.301   2.726
  601   2HG   MET  81           HG1      MET  81  67.796  -2.932   2.055
  602   1HE   MET  81           HE3      MET  81  66.590  -4.434   2.531
  603   2HE   MET  81           HE2      MET  81  67.165  -5.277   3.968
  604   3HE   MET  81           HE1      MET  81  65.500  -4.703   3.899
  605    H    VAL  82           HN       VAL  82  72.272  -2.014   3.756
  606    HA   VAL  82           HA       VAL  82  73.081  -3.874   5.762
  607    HB   VAL  82           HB       VAL  82  75.340  -3.301   4.921
  608   1HG1  VAL  82          HG12      VAL  82  73.016  -3.904   3.236
  609   2HG1  VAL  82          HG11      VAL  82  74.364  -3.215   2.330
  610   3HG1  VAL  82          HG13      VAL  82  74.599  -4.680   3.283
  611   1HG2  VAL  82          HG23      VAL  82  73.845  -0.877   3.993
  612   2HG2  VAL  82          HG22      VAL  82  75.468  -0.999   4.670
  613   3HG2  VAL  82          HG21      VAL  82  75.174  -1.469   2.996
  614    H    ARG  83           HN       ARG  83  72.659  -0.438   5.888
  615    HA   ARG  83           HA       ARG  83  74.517   0.048   8.095
  616   1HB   ARG  83           HB2      ARG  83  73.751   1.683   6.318
  617   2HB   ARG  83           HB1      ARG  83  72.170   1.694   7.102
  618   1HG   ARG  83           HG2      ARG  83  73.445   3.576   7.947
  619   2HG   ARG  83           HG1      ARG  83  73.306   2.380   9.236
  620   1HD   ARG  83           HD2      ARG  83  75.671   2.108   7.442
  621   2HD   ARG  83           HD1      ARG  83  75.677   3.476   8.573
  622    HE   ARG  83           HE       ARG  83  74.803   1.021   9.853
  623   1HH1  ARG  83          HH21      ARG  83  77.656   1.566   8.240
  624   2HH1  ARG  83          HH22      ARG  83  78.687   1.449   9.627
  625   1HH2  ARG  83          HH11      ARG  83  76.069   1.418  11.902
  626   2HH2  ARG  83          HH12      ARG  83  77.789   1.366  11.700
  627    H    CYS  84           HN       CYS  84  70.999  -0.429   7.754
  628    HA   CYS  84           HA       CYS  84  70.732  -0.400  10.730
  629   1HB   CYS  84           HB2      CYS  84  69.343   0.995   9.014
  630   2HB   CYS  84           HB1      CYS  84  68.502  -0.524   8.705
  631    HG   CYS  84           HG       CYS  84  68.503  -0.197  11.641
  632    H    MET  85           HN       MET  85  71.383  -2.613   8.394
  633    HA   MET  85           HA       MET  85  69.563  -4.715   8.525
  634   1HB   MET  85           HB2      MET  85  72.342  -4.270   7.927
  635   2HB   MET  85           HB1      MET  85  72.182  -5.796   8.798
  636   1HG   MET  85           HG2      MET  85  70.291  -6.372   7.192
  637   2HG   MET  85           HG1      MET  85  70.786  -4.973   6.242
  638   1HE   MET  85           HE3      MET  85  70.422  -7.381   5.038
  639   2HE   MET  85           HE2      MET  85  71.837  -8.199   4.379
  640   3HE   MET  85           HE1      MET  85  71.156  -8.731   5.915
  641    H    LYS  86           HN       LYS  86  72.298  -4.225  10.795
  642    HA   LYS  86           HA       LYS  86  70.841  -5.945  12.771
  643   1HB   LYS  86           HB2      LYS  86  73.443  -5.998  11.698
  644   2HB   LYS  86           HB1      LYS  86  73.636  -5.388  13.342
  645   1HG   LYS  86           HG2      LYS  86  71.879  -7.396  13.802
  646   2HG   LYS  86           HG1      LYS  86  72.735  -8.059  12.410
  647   1HD   LYS  86           HD2      LYS  86  74.851  -7.174  13.815
  648   2HD   LYS  86           HD1      LYS  86  73.740  -7.478  15.153
  649   1HE   LYS  86           HE2      LYS  86  73.325  -9.782  14.037
  650   2HE   LYS  86           HE1      LYS  86  74.809  -9.445  13.122
  651   1HZ   LYS  86           HZ1      LYS  86  75.581  -8.701  15.536
  652   2HZ   LYS  86           HZ3      LYS  86  74.456  -9.888  15.984
  653   3HZ   LYS  86           HZ2      LYS  86  75.762 -10.296  14.977
  654    H    ASP  87           HN       ASP  87  69.744  -4.574  14.156
  655    HA   ASP  87           HA       ASP  87  71.032  -2.008  14.968
  656   1HB   ASP  87           HB2      ASP  87  68.250  -3.167  14.960
  657   2HB   ASP  87           HB1      ASP  87  68.622  -1.759  15.955
  658    H    ASP  88           HN       ASP  88  72.565  -3.409  16.339
  659    HA   ASP  88           HA       ASP  88  71.560  -3.491  19.096
  660   1HB   ASP  88           HB2      ASP  88  70.873  -5.645  17.822
  661   2HB   ASP  88           HB1      ASP  88  72.586  -6.063  17.890
  662    H    SER  89           HN       SER  89  74.167  -4.429  16.844
  663    HA   SER  89           HA       SER  89  76.512  -4.218  17.054
  664   1HB   SER  89           HB2      SER  89  75.421  -1.885  17.689
  665   2HB   SER  89           HB1      SER  89  76.019  -2.287  19.297
  666    HG   SER  89           HG       SER  89  77.608  -2.399  16.950
   
  No H/Q in entry =         666
  Start of MODEL   35
    1   1H    MET   1           HT2      MET   1  90.002   3.882   6.481
    2   2H    MET   1           HT1      MET   1  90.345   4.152   4.839
    3   3H    MET   1           HT3      MET   1  91.035   5.151   6.024
    4    HA   MET   1           HA       MET   1  89.309   6.537   5.932
    5   1HB   MET   1           HB2      MET   1  88.330   4.459   3.944
    6   2HB   MET   1           HB1      MET   1  87.686   6.096   4.084
    7   1HG   MET   1           HG2      MET   1  90.638   5.662   3.690
    8   2HG   MET   1           HG1      MET   1  89.543   5.630   2.308
    9   1HE   MET   1           HE1      MET   1  91.551   7.253   4.648
   10   2HE   MET   1           HE3      MET   1  91.369   9.003   4.470
   11   3HE   MET   1           HE2      MET   1  90.325   8.113   5.576
   12    H    ASP   2           HN       ASP   2  86.760   6.621   6.165
   13    HA   ASP   2           HA       ASP   2  86.010   4.588   8.234
   14   1HB   ASP   2           HB2      ASP   2  84.987   7.397   7.693
   15   2HB   ASP   2           HB1      ASP   2  84.560   6.391   9.077
   16    H    ASP   3           HN       ASP   3  85.678   4.398   5.208
   17    HA   ASP   3           HA       ASP   3  82.717   4.488   4.929
   18   1HB   ASP   3           HB2      ASP   3  84.997   3.922   3.004
   19   2HB   ASP   3           HB1      ASP   3  83.299   4.047   2.541
   20    H    ILE   4           HN       ILE   4  81.674   2.645   5.600
   21    HA   ILE   4           HA       ILE   4  83.067   0.015   5.275
   22    HB   ILE   4           HB       ILE   4  81.684  -0.703   7.107
   23   1HG1  ILE   4          HG12      ILE   4  80.168   1.649   7.713
   24   2HG1  ILE   4          HG11      ILE   4  79.864   1.222   6.030
   25   1HG2  ILE   4          HG23      ILE   4  83.573   0.907   7.609
   26   2HG2  ILE   4          HG22      ILE   4  82.365   2.190   7.680
   27   3HG2  ILE   4          HG21      ILE   4  82.304   0.856   8.832
   28   1HD1  ILE   4          HD13      ILE   4  79.879  -1.008   8.005
   29   2HD1  ILE   4          HD12      ILE   4  78.504   0.096   8.053
   30   3HD1  ILE   4          HD11      ILE   4  78.878  -0.784   6.570
   31    H    TYR   5           HN       TYR   5  80.420   1.931   4.157
   32    HA   TYR   5           HA       TYR   5  78.499   0.015   3.381
   33   1HB   TYR   5           HB2      TYR   5  79.426   2.479   1.871
   34   2HB   TYR   5           HB1      TYR   5  77.832   1.736   1.778
   35    HD1  TYR   5           HD1      TYR   5  78.214   1.105   4.985
   36    HD2  TYR   5           HD2      TYR   5  78.128   4.596   2.480
   37    HE1  TYR   5           HE1      TYR   5  77.459   2.471   6.912
   38    HE2  TYR   5           HE2      TYR   5  77.375   5.960   4.409
   39    HH   TYR   5           HH       TYR   5  77.566   5.790   6.966
   40    H    LYS   6           HN       LYS   6  81.629   0.777   1.957
   41    HA   LYS   6           HA       LYS   6  81.350  -0.321  -0.629
   42   1HB   LYS   6           HB2      LYS   6  83.329   0.754   0.954
   43   2HB   LYS   6           HB1      LYS   6  83.866  -0.918   0.785
   44   1HG   LYS   6           HG2      LYS   6  84.794  -0.063  -1.141
   45   2HG   LYS   6           HG1      LYS   6  83.193  -0.460  -1.769
   46   1HD   LYS   6           HD2      LYS   6  82.706   2.012  -0.762
   47   2HD   LYS   6           HD1      LYS   6  84.401   2.190  -1.216
   48   1HE   LYS   6           HE2      LYS   6  83.364   2.748  -3.234
   49   2HE   LYS   6           HE1      LYS   6  83.553   0.996  -3.455
   50   1HZ   LYS   6           HZ3      LYS   6  81.357   0.732  -2.365
   51   2HZ   LYS   6           HZ2      LYS   6  81.168   2.420  -2.399
   52   3HZ   LYS   6           HZ1      LYS   6  81.274   1.544  -3.851
   53    H    ALA   7           HN       ALA   7  82.428  -1.999   2.356
   54    HA   ALA   7           HA       ALA   7  82.593  -4.604   1.152
   55   1HB   ALA   7           HB3      ALA   7  82.239  -3.606   3.993
   56   2HB   ALA   7           HB2      ALA   7  82.563  -5.292   3.593
   57   3HB   ALA   7           HB1      ALA   7  83.751  -4.050   3.200
   58    H    ALA   8           HN       ALA   8  79.936  -2.785   2.583
   59    HA   ALA   8           HA       ALA   8  78.078  -4.797   3.188
   60   1HB   ALA   8           HB1      ALA   8  78.163  -1.983   2.706
   61   2HB   ALA   8           HB3      ALA   8  76.780  -2.632   1.825
   62   3HB   ALA   8           HB2      ALA   8  76.922  -2.897   3.563
   63    H    VAL   9           HN       VAL   9  78.448  -3.146   0.021
   64    HA   VAL   9           HA       VAL   9  76.567  -4.750  -1.399
   65    HB   VAL   9           HB       VAL   9  79.090  -3.459  -2.470
   66   1HG1  VAL   9          HG11      VAL   9  76.705  -4.640  -3.626
   67   2HG1  VAL   9          HG13      VAL   9  76.852  -2.946  -4.090
   68   3HG1  VAL   9          HG12      VAL   9  78.166  -4.071  -4.432
   69   1HG2  VAL   9          HG22      VAL   9  76.969  -2.273  -0.946
   70   2HG2  VAL   9          HG21      VAL   9  78.337  -1.472  -1.721
   71   3HG2  VAL   9          HG23      VAL   9  76.835  -1.716  -2.614
   72    H    GLU  10           HN       GLU  10  80.118  -5.085  -1.078
   73    HA   GLU  10           HA       GLU  10  80.445  -7.364  -2.745
   74   1HB   GLU  10           HB2      GLU  10  81.873  -6.155  -0.388
   75   2HB   GLU  10           HB1      GLU  10  82.449  -7.674  -1.074
   76   1HG   GLU  10           HG2      GLU  10  82.030  -5.101  -2.622
   77   2HG   GLU  10           HG1      GLU  10  83.591  -5.740  -2.108
   78    H    GLN  11           HN       GLN  11  79.796  -7.165   0.769
   79    HA   GLN  11           HA       GLN  11  79.894  -9.935   1.365
   80   1HB   GLN  11           HB2      GLN  11  78.725  -7.448   2.477
   81   2HB   GLN  11           HB1      GLN  11  77.990  -8.946   3.050
   82   1HG   GLN  11           HG2      GLN  11  79.911  -9.648   4.110
   83   2HG   GLN  11           HG1      GLN  11  80.970  -8.837   2.955
   84   1HE2  GLN  11          HE22      GLN  11  79.500  -6.716   6.153
   85   2HE2  GLN  11          HE21      GLN  11  78.739  -8.161   5.690
   86    H    LEU  12           HN       LEU  12  77.391  -8.022  -0.203
   87    HA   LEU  12           HA       LEU  12  75.319 -10.078   0.061
   88   1HB   LEU  12           HB2      LEU  12  75.556  -7.598  -1.675
   89   2HB   LEU  12           HB1      LEU  12  74.068  -8.494  -1.363
   90    HG   LEU  12           HG       LEU  12  75.762  -7.255   0.821
   91   1HD1  LEU  12          HD12      LEU  12  74.606  -5.687  -0.938
   92   2HD1  LEU  12          HD11      LEU  12  73.122  -6.158  -0.109
   93   3HD1  LEU  12          HD13      LEU  12  74.411  -5.347   0.782
   94   1HD2  LEU  12          HD23      LEU  12  73.678  -9.157   0.845
   95   2HD2  LEU  12          HD22      LEU  12  74.330  -8.282   2.230
   96   3HD2  LEU  12          HD21      LEU  12  72.940  -7.639   1.356
   97    H    THR  13           HN       THR  13  75.060 -11.794  -1.319
   98    HA   THR  13           HA       THR  13  76.776 -11.941  -3.746
   99    HB   THR  13           HB       THR  13  75.819 -14.366  -3.598
  100    HG1  THR  13           HG1      THR  13  75.036 -14.853  -1.533
  101   1HG2  THR  13          HG21      THR  13  77.586 -13.157  -1.456
  102   2HG2  THR  13          HG23      THR  13  77.415 -14.891  -1.729
  103   3HG2  THR  13          HG22      THR  13  78.105 -13.863  -2.986
  104    H    GLU  14           HN       GLU  14  75.755 -12.767  -5.770
  105    HA   GLU  14           HA       GLU  14  73.452 -11.292  -6.561
  106   1HB   GLU  14           HB2      GLU  14  75.438 -12.796  -7.733
  107   2HB   GLU  14           HB1      GLU  14  74.017 -13.805  -8.001
  108   1HG   GLU  14           HG2      GLU  14  73.037 -12.290  -9.410
  109   2HG   GLU  14           HG1      GLU  14  73.664 -10.903  -8.518
  110    H    GLU  15           HN       GLU  15  73.694 -14.194  -4.737
  111    HA   GLU  15           HA       GLU  15  71.167 -15.395  -5.540
  112   1HB   GLU  15           HB2      GLU  15  73.336 -16.328  -4.350
  113   2HB   GLU  15           HB1      GLU  15  72.502 -15.817  -2.882
  114   1HG   GLU  15           HG2      GLU  15  70.457 -17.091  -3.949
  115   2HG   GLU  15           HG1      GLU  15  71.712 -17.922  -4.870
  116    H    GLN  16           HN       GLN  16  72.220 -13.473  -2.706
  117    HA   GLN  16           HA       GLN  16  69.458 -13.277  -1.705
  118   1HB   GLN  16           HB2      GLN  16  70.542 -12.104   0.132
  119   2HB   GLN  16           HB1      GLN  16  71.532 -13.501  -0.294
  120   1HG   GLN  16           HG2      GLN  16  72.858 -11.933  -1.810
  121   2HG   GLN  16           HG1      GLN  16  72.011 -10.604  -1.016
  122   1HE2  GLN  16          HE22      GLN  16  73.538 -11.448   2.230
  123   2HE2  GLN  16          HE21      GLN  16  71.985 -11.144   1.615
  124    H    LYS  17           HN       LYS  17  71.821 -11.213  -3.363
  125    HA   LYS  17           HA       LYS  17  70.443  -8.722  -3.124
  126   1HB   LYS  17           HB2      LYS  17  72.727  -9.848  -4.392
  127   2HB   LYS  17           HB1      LYS  17  71.815  -8.997  -5.638
  128   1HG   LYS  17           HG2      LYS  17  71.674  -7.213  -3.567
  129   2HG   LYS  17           HG1      LYS  17  73.272  -7.917  -3.310
  130   1HD   LYS  17           HD2      LYS  17  72.253  -6.660  -5.876
  131   2HD   LYS  17           HD1      LYS  17  73.478  -5.992  -4.796
  132   1HE   LYS  17           HE2      LYS  17  75.114  -7.323  -5.660
  133   2HE   LYS  17           HE1      LYS  17  74.055  -8.747  -5.686
  134   1HZ   LYS  17           HZ3      LYS  17  73.382  -6.561  -7.495
  135   2HZ   LYS  17           HZ2      LYS  17  74.757  -7.477  -7.895
  136   3HZ   LYS  17           HZ1      LYS  17  73.246  -8.236  -7.725
  137    H    ASN  18           HN       ASN  18  70.099 -11.403  -5.424
  138    HA   ASN  18           HA       ASN  18  68.526 -10.219  -7.428
  139   1HB   ASN  18           HB2      ASN  18  68.948 -12.892  -6.231
  140   2HB   ASN  18           HB1      ASN  18  67.444 -12.715  -7.138
  141   1HD2  ASN  18          HD22      ASN  18  69.685 -13.641  -9.819
  142   2HD2  ASN  18          HD21      ASN  18  68.678 -14.320  -8.634
  143    H    GLU  19           HN       GLU  19  67.605 -11.196  -4.158
  144    HA   GLU  19           HA       GLU  19  64.747 -11.019  -4.531
  145   1HB   GLU  19           HB2      GLU  19  66.737 -11.246  -2.343
  146   2HB   GLU  19           HB1      GLU  19  65.181 -10.558  -1.881
  147   1HG   GLU  19           HG2      GLU  19  64.005 -12.493  -2.431
  148   2HG   GLU  19           HG1      GLU  19  65.242 -13.042  -3.563
  149    H    PHE  20           HN       PHE  20  67.257  -8.685  -3.616
  150    HA   PHE  20           HA       PHE  20  65.385  -6.568  -2.908
  151   1HB   PHE  20           HB2      PHE  20  68.331  -6.925  -3.325
  152   2HB   PHE  20           HB1      PHE  20  67.685  -5.285  -3.259
  153    HD1  PHE  20           HD1      PHE  20  65.535  -5.419  -1.333
  154    HD2  PHE  20           HD2      PHE  20  69.347  -7.396  -1.270
  155    HE1  PHE  20           HE1      PHE  20  65.419  -5.564   1.140
  156    HE2  PHE  20           HE2      PHE  20  69.231  -7.542   1.202
  157    HZ   PHE  20           HZ       PHE  20  67.268  -6.625   2.407
  158    H    LYS  21           HN       LYS  21  67.281  -7.418  -5.800
  159    HA   LYS  21           HA       LYS  21  66.834  -5.101  -7.358
  160   1HB   LYS  21           HB2      LYS  21  68.366  -6.762  -8.100
  161   2HB   LYS  21           HB1      LYS  21  67.162  -8.043  -7.966
  162   1HG   LYS  21           HG2      LYS  21  65.976  -7.280  -9.877
  163   2HG   LYS  21           HG1      LYS  21  66.808  -5.726  -9.870
  164   1HD   LYS  21           HD2      LYS  21  68.727  -7.887 -10.019
  165   2HD   LYS  21           HD1      LYS  21  67.541  -8.030 -11.318
  166   1HE   LYS  21           HE2      LYS  21  67.940  -5.561 -11.808
  167   2HE   LYS  21           HE1      LYS  21  69.323  -5.655 -10.700
  168   1HZ   LYS  21           HZ1      LYS  21  70.131  -7.571 -11.979
  169   2HZ   LYS  21           HZ3      LYS  21  68.859  -7.370 -13.083
  170   3HZ   LYS  21           HZ2      LYS  21  70.048  -6.166 -12.930
  171    H    ALA  22           HN       ALA  22  64.814  -8.030  -7.022
  172    HA   ALA  22           HA       ALA  22  62.767  -7.180  -8.868
  173   1HB   ALA  22           HB3      ALA  22  63.328  -9.316  -6.936
  174   2HB   ALA  22           HB2      ALA  22  61.611  -8.922  -7.040
  175   3HB   ALA  22           HB1      ALA  22  62.495  -9.404  -8.488
  176    H    ALA  23           HN       ALA  23  62.808  -7.252  -5.278
  177    HA   ALA  23           HA       ALA  23  60.339  -5.949  -4.831
  178   1HB   ALA  23           HB1      ALA  23  62.953  -5.901  -3.288
  179   2HB   ALA  23           HB3      ALA  23  61.397  -5.408  -2.623
  180   3HB   ALA  23           HB2      ALA  23  61.657  -7.082  -3.111
  181    H    PHE  24           HN       PHE  24  63.283  -4.671  -6.097
  182    HA   PHE  24           HA       PHE  24  62.876  -1.908  -5.263
  183   1HB   PHE  24           HB2      PHE  24  65.048  -3.091  -5.818
  184   2HB   PHE  24           HB1      PHE  24  64.557  -3.048  -7.513
  185    HD1  PHE  24           HD1      PHE  24  63.930  -0.751  -8.508
  186    HD2  PHE  24           HD2      PHE  24  66.116  -1.242  -4.848
  187    HE1  PHE  24           HE1      PHE  24  64.762   1.579  -8.696
  188    HE2  PHE  24           HE2      PHE  24  66.952   1.088  -5.031
  189    HZ   PHE  24           HZ       PHE  24  66.274   2.498  -6.957
  190    H    ASP  25           HN       ASP  25  62.827  -3.430  -8.519
  191    HA   ASP  25           HA       ASP  25  61.641  -1.252  -9.888
  192   1HB   ASP  25           HB2      ASP  25  61.389  -4.238 -10.378
  193   2HB   ASP  25           HB1      ASP  25  61.139  -2.975 -11.583
  194    H    ILE  26           HN       ILE  26  60.162  -3.725  -7.867
  195    HA   ILE  26           HA       ILE  26  57.457  -3.456  -8.773
  196    HB   ILE  26           HB       ILE  26  58.754  -4.223  -6.146
  197   1HG1  ILE  26          HG12      ILE  26  57.624  -5.719  -8.522
  198   2HG1  ILE  26          HG11      ILE  26  59.266  -5.782  -7.885
  199   1HG2  ILE  26          HG22      ILE  26  56.099  -3.454  -6.445
  200   2HG2  ILE  26          HG21      ILE  26  56.037  -5.205  -6.625
  201   3HG2  ILE  26          HG23      ILE  26  56.728  -4.492  -5.168
  202   1HD1  ILE  26          HD11      ILE  26  57.746  -6.491  -5.694
  203   2HD1  ILE  26          HD13      ILE  26  56.876  -7.248  -7.028
  204   3HD1  ILE  26          HD12      ILE  26  58.579  -7.622  -6.760
  205    H    PHE  27           HN       PHE  27  59.499  -1.387  -6.861
  206    HA   PHE  27           HA       PHE  27  57.169   0.442  -6.424
  207   1HB   PHE  27           HB2      PHE  27  59.233  -0.603  -4.489
  208   2HB   PHE  27           HB1      PHE  27  58.390   0.915  -4.180
  209    HD1  PHE  27           HD1      PHE  27  55.909   0.953  -3.947
  210    HD2  PHE  27           HD2      PHE  27  58.106  -2.722  -4.298
  211    HE1  PHE  27           HE1      PHE  27  53.940  -0.304  -3.117
  212    HE2  PHE  27           HE2      PHE  27  56.136  -3.979  -3.468
  213    HZ   PHE  27           HZ       PHE  27  54.053  -2.770  -2.876
  214    H    VAL  28           HN       VAL  28  58.658   1.030  -8.563
  215    HA   VAL  28           HA       VAL  28  60.750   2.962  -7.677
  216    HB   VAL  28           HB       VAL  28  60.840   2.700 -10.448
  217   1HG1  VAL  28          HG12      VAL  28  62.392   1.367  -8.232
  218   2HG1  VAL  28          HG11      VAL  28  62.862   1.238  -9.927
  219   3HG1  VAL  28          HG13      VAL  28  62.826   2.816  -9.140
  220   1HG2  VAL  28          HG23      VAL  28  59.283   0.791 -10.329
  221   2HG2  VAL  28          HG22      VAL  28  60.884   0.288 -10.884
  222   3HG2  VAL  28          HG21      VAL  28  60.388  -0.025  -9.221
  223    H    LEU  29           HN       LEU  29  57.581   2.799  -8.563
  224    HA   LEU  29           HA       LEU  29  56.064   4.280  -9.612
  225   1HB   LEU  29           HB2      LEU  29  57.806   5.633  -7.617
  226   2HB   LEU  29           HB1      LEU  29  56.788   6.686  -8.600
  227    HG   LEU  29           HG       LEU  29  55.366   4.318  -7.617
  228   1HD1  LEU  29          HD13      LEU  29  57.019   4.843  -5.738
  229   2HD1  LEU  29          HD12      LEU  29  56.187   6.389  -5.570
  230   3HD1  LEU  29          HD11      LEU  29  55.312   4.882  -5.295
  231   1HD2  LEU  29          HD22      LEU  29  54.933   7.318  -7.475
  232   2HD2  LEU  29          HD21      LEU  29  54.216   6.203  -8.639
  233   3HD2  LEU  29          HD23      LEU  29  53.753   6.122  -6.939
  234    H    GLY  30           HN       GLY  30  58.408   6.859  -9.550
  235   1HA   GLY  30           HA2      GLY  30  59.073   6.502 -12.410
  236   2HA   GLY  30           HA1      GLY  30  58.145   7.942 -11.990
  237    H    ALA  31           HN       ALA  31  61.159   7.129 -12.717
  238    HA   ALA  31           HA       ALA  31  62.320   9.417 -11.304
  239   1HB   ALA  31           HB1      ALA  31  62.470   6.684 -10.285
  240   2HB   ALA  31           HB3      ALA  31  64.071   7.372 -10.553
  241   3HB   ALA  31           HB2      ALA  31  62.924   8.193  -9.494
  242    H    GLU  32           HN       GLU  32  64.980   8.965 -11.653
  243    HA   GLU  32           HA       GLU  32  65.577   9.446 -14.316
  244   1HB   GLU  32           HB2      GLU  32  67.178   9.638 -12.490
  245   2HB   GLU  32           HB1      GLU  32  67.134   7.894 -12.224
  246   1HG   GLU  32           HG2      GLU  32  68.905   7.790 -13.627
  247   2HG   GLU  32           HG1      GLU  32  67.742   8.095 -14.919
  248    H    ASP  33           HN       ASP  33  65.905   6.212 -12.790
  249    HA   ASP  33           HA       ASP  33  64.598   4.769 -14.884
  250   1HB   ASP  33           HB2      ASP  33  66.885   5.903 -15.787
  251   2HB   ASP  33           HB1      ASP  33  67.534   4.384 -15.172
  252    H    GLY  34           HN       GLY  34  64.909   4.678 -11.978
  253   1HA   GLY  34           HA2      GLY  34  64.766   2.094 -11.261
  254   2HA   GLY  34           HA1      GLY  34  66.510   2.243 -11.476
  255    H    CYS  35           HN       CYS  35  64.272   4.686 -10.177
  256    HA   CYS  35           HA       CYS  35  65.714   4.456  -7.551
  257   1HB   CYS  35           HB2      CYS  35  64.665   6.994  -8.831
  258   2HB   CYS  35           HB1      CYS  35  65.767   6.858  -7.463
  259    HG   CYS  35           HG       CYS  35  67.398   5.624  -9.368
  260    H    ILE  36           HN       ILE  36  64.400   4.808  -5.687
  261    HA   ILE  36           HA       ILE  36  61.446   4.780  -6.221
  262    HB   ILE  36           HB       ILE  36  61.331   3.477  -4.142
  263   1HG1  ILE  36          HG12      ILE  36  64.351   3.760  -4.059
  264   2HG1  ILE  36          HG11      ILE  36  63.245   4.675  -3.034
  265   1HG2  ILE  36          HG22      ILE  36  62.078   2.480  -6.448
  266   2HG2  ILE  36          HG21      ILE  36  63.646   2.299  -5.661
  267   3HG2  ILE  36          HG23      ILE  36  62.228   1.489  -4.998
  268   1HD1  ILE  36          HD11      ILE  36  63.215   1.654  -3.148
  269   2HD1  ILE  36          HD13      ILE  36  64.222   2.545  -2.007
  270   3HD1  ILE  36          HD12      ILE  36  62.466   2.702  -1.942
  271    H    SER  37           HN       SER  37  60.196   5.679  -4.233
  272    HA   SER  37           HA       SER  37  61.277   8.357  -3.606
  273   1HB   SER  37           HB2      SER  37  58.840   7.457  -4.291
  274   2HB   SER  37           HB1      SER  37  58.685   7.320  -2.542
  275    HG   SER  37           HG       SER  37  58.308   9.384  -2.626
  276    H    THR  38           HN       THR  38  62.164   8.877  -1.634
  277    HA   THR  38           HA       THR  38  63.050   7.109   0.297
  278    HB   THR  38           HB       THR  38  62.973   9.115   1.814
  279    HG1  THR  38           HG1      THR  38  61.888  10.581  -0.291
  280   1HG2  THR  38          HG21      THR  38  63.923   9.288  -1.031
  281   2HG2  THR  38          HG23      THR  38  64.130  10.666   0.049
  282   3HG2  THR  38          HG22      THR  38  64.868   9.115   0.448
  283    H    LYS  39           HN       LYS  39  59.835   8.646   0.167
  284    HA   LYS  39           HA       LYS  39  58.907   7.466   2.657
  285   1HB   LYS  39           HB2      LYS  39  57.428   8.639   0.278
  286   2HB   LYS  39           HB1      LYS  39  56.756   8.401   1.892
  287   1HG   LYS  39           HG2      LYS  39  58.140  10.059   2.844
  288   2HG   LYS  39           HG1      LYS  39  59.255  10.036   1.478
  289   1HD   LYS  39           HD2      LYS  39  56.622  10.662   0.518
  290   2HD   LYS  39           HD1      LYS  39  57.016  11.740   1.857
  291   1HE   LYS  39           HE2      LYS  39  58.964  12.564   0.769
  292   2HE   LYS  39           HE1      LYS  39  58.969  11.230  -0.401
  293   1HZ   LYS  39           HZ2      LYS  39  56.795  12.001  -1.193
  294   2HZ   LYS  39           HZ1      LYS  39  56.884  13.332  -0.141
  295   3HZ   LYS  39           HZ3      LYS  39  57.998  13.181  -1.411
  296    H    GLU  40           HN       GLU  40  59.009   6.443  -0.692
  297    HA   GLU  40           HA       GLU  40  57.000   4.334  -0.390
  298   1HB   GLU  40           HB2      GLU  40  59.024   5.180  -2.469
  299   2HB   GLU  40           HB1      GLU  40  58.045   3.727  -2.679
  300   1HG   GLU  40           HG2      GLU  40  56.658   6.266  -1.918
  301   2HG   GLU  40           HG1      GLU  40  57.202   6.081  -3.585
  302    H    LEU  41           HN       LEU  41  60.524   4.598  -0.206
  303    HA   LEU  41           HA       LEU  41  61.332   1.917  -0.378
  304   1HB   LEU  41           HB2      LEU  41  62.901   3.731  -0.161
  305   2HB   LEU  41           HB1      LEU  41  62.213   4.220   1.387
  306    HG   LEU  41           HG       LEU  41  63.299   1.439   1.078
  307   1HD1  LEU  41          HD11      LEU  41  65.012   3.112   0.228
  308   2HD1  LEU  41          HD13      LEU  41  64.996   3.830   1.839
  309   3HD1  LEU  41          HD12      LEU  41  65.526   2.161   1.622
  310   1HD2  LEU  41          HD21      LEU  41  62.535   3.331   3.228
  311   2HD2  LEU  41          HD23      LEU  41  62.460   1.570   3.201
  312   3HD2  LEU  41          HD22      LEU  41  63.988   2.382   3.543
  313    H    GLY  42           HN       GLY  42  59.506   3.505   2.161
  314   1HA   GLY  42           HA2      GLY  42  59.977   1.740   4.322
  315   2HA   GLY  42           HA1      GLY  42  58.469   2.622   4.074
  316    H    LYS  43           HN       LYS  43  57.120   1.621   2.153
  317    HA   LYS  43           HA       LYS  43  56.195  -0.934   2.879
  318   1HB   LYS  43           HB2      LYS  43  56.207   0.531   0.220
  319   2HB   LYS  43           HB1      LYS  43  55.200  -0.878   0.561
  320   1HG   LYS  43           HG2      LYS  43  53.755   0.311   1.854
  321   2HG   LYS  43           HG1      LYS  43  55.048   1.257   2.593
  322   1HD   LYS  43           HD2      LYS  43  55.239   2.434   0.299
  323   2HD   LYS  43           HD1      LYS  43  53.663   1.721  -0.048
  324   1HE   LYS  43           HE2      LYS  43  52.727   2.796   1.982
  325   2HE   LYS  43           HE1      LYS  43  54.308   3.536   2.305
  326   1HZ   LYS  43           HZ1      LYS  43  54.204   4.422  -0.020
  327   2HZ   LYS  43           HZ3      LYS  43  52.583   3.929  -0.077
  328   3HZ   LYS  43           HZ2      LYS  43  53.073   5.103   1.050
  329    H    VAL  44           HN       VAL  44  58.928  -0.036   0.875
  330    HA   VAL  44           HA       VAL  44  59.290  -2.613  -0.409
  331    HB   VAL  44           HB       VAL  44  60.847  -0.072   0.011
  332   1HG1  VAL  44          HG12      VAL  44  61.931  -2.738  -0.806
  333   2HG1  VAL  44          HG11      VAL  44  62.507  -1.307  -1.662
  334   3HG1  VAL  44          HG13      VAL  44  62.715  -1.434   0.084
  335   1HG2  VAL  44          HG21      VAL  44  59.016  -0.547  -1.779
  336   2HG2  VAL  44          HG23      VAL  44  60.521   0.208  -2.303
  337   3HG2  VAL  44          HG22      VAL  44  60.259  -1.516  -2.568
  338    H    MET  45           HN       MET  45  60.697  -1.039   2.475
  339    HA   MET  45           HA       MET  45  62.515  -3.198   3.105
  340   1HB   MET  45           HB2      MET  45  61.510  -0.669   4.256
  341   2HB   MET  45           HB1      MET  45  62.038  -1.856   5.450
  342   1HG   MET  45           HG2      MET  45  63.896  -1.726   3.223
  343   2HG   MET  45           HG1      MET  45  63.683  -0.139   3.963
  344   1HE   MET  45           HE2      MET  45  64.877   0.666   5.631
  345   2HE   MET  45           HE1      MET  45  66.078  -0.165   6.615
  346   3HE   MET  45           HE3      MET  45  66.266  -0.094   4.858
  347    H    ARG  46           HN       ARG  46  59.161  -2.466   3.978
  348    HA   ARG  46           HA       ARG  46  58.895  -4.396   6.094
  349   1HB   ARG  46           HB2      ARG  46  56.871  -3.242   4.147
  350   2HB   ARG  46           HB1      ARG  46  56.487  -4.005   5.690
  351   1HG   ARG  46           HG2      ARG  46  58.175  -2.226   6.654
  352   2HG   ARG  46           HG1      ARG  46  57.800  -1.360   5.163
  353   1HD   ARG  46           HD2      ARG  46  56.128  -0.540   6.584
  354   2HD   ARG  46           HD1      ARG  46  55.291  -1.931   5.866
  355    HE   ARG  46           HE       ARG  46  56.605  -3.062   7.998
  356   1HH1  ARG  46          HH21      ARG  46  54.002  -0.951   7.423
  357   2HH1  ARG  46          HH22      ARG  46  53.591  -0.754   9.094
  358   1HH2  ARG  46          HH11      ARG  46  56.327  -2.541  10.253
  359   2HH2  ARG  46          HH12      ARG  46  54.907  -1.654  10.696
  360    H    MET  47           HN       MET  47  58.036  -4.554   2.617
  361    HA   MET  47           HA       MET  47  57.049  -7.215   2.580
  362   1HB   MET  47           HB2      MET  47  58.505  -5.511   0.537
  363   2HB   MET  47           HB1      MET  47  57.709  -7.034   0.138
  364   1HG   MET  47           HG2      MET  47  55.933  -5.364   1.690
  365   2HG   MET  47           HG1      MET  47  56.517  -4.482   0.279
  366   1HE   MET  47           HE3      MET  47  56.861  -5.345  -1.764
  367   2HE   MET  47           HE2      MET  47  56.470  -6.965  -2.338
  368   3HE   MET  47           HE1      MET  47  55.341  -5.642  -2.620
  369    H    LEU  48           HN       LEU  48  60.263  -6.062   3.049
  370    HA   LEU  48           HA       LEU  48  61.461  -8.673   2.241
  371   1HB   LEU  48           HB2      LEU  48  62.619  -5.980   3.031
  372   2HB   LEU  48           HB1      LEU  48  63.581  -7.371   2.528
  373    HG   LEU  48           HG       LEU  48  61.348  -6.351   0.784
  374   1HD1  LEU  48          HD12      LEU  48  63.568  -4.798   1.545
  375   2HD1  LEU  48          HD11      LEU  48  63.969  -5.438  -0.049
  376   3HD1  LEU  48          HD13      LEU  48  62.490  -4.505   0.179
  377   1HD2  LEU  48          HD23      LEU  48  63.756  -8.117   0.538
  378   2HD2  LEU  48          HD22      LEU  48  62.124  -8.356  -0.089
  379   3HD2  LEU  48          HD21      LEU  48  63.220  -7.230  -0.889
  380    H    GLY  49           HN       GLY  49  59.951  -7.596   4.900
  381   1HA   GLY  49           HA2      GLY  49  59.973  -8.583   7.065
  382   2HA   GLY  49           HA1      GLY  49  61.517  -9.340   6.674
  383    H    GLN  50           HN       GLN  50  60.026  -6.255   7.597
  384    HA   GLN  50           HA       GLN  50  62.246  -5.584   9.337
  385   1HB   GLN  50           HB2      GLN  50  62.280  -4.835   6.508
  386   2HB   GLN  50           HB1      GLN  50  62.438  -3.437   7.573
  387   1HG   GLN  50           HG2      GLN  50  64.048  -5.728   8.445
  388   2HG   GLN  50           HG1      GLN  50  64.502  -5.133   6.848
  389   1HE2  GLN  50          HE22      GLN  50  66.499  -2.857   8.760
  390   2HE2  GLN  50          HE21      GLN  50  66.538  -4.315   7.890
  391    H    ASN  51           HN       ASN  51  61.883  -3.449  10.381
  392    HA   ASN  51           HA       ASN  51  59.260  -2.158   9.847
  393   1HB   ASN  51           HB2      ASN  51  58.780  -2.449  12.355
  394   2HB   ASN  51           HB1      ASN  51  58.650  -3.904  11.365
  395   1HD2  ASN  51          HD22      ASN  51  60.711  -5.094  14.113
  396   2HD2  ASN  51          HD21      ASN  51  59.081  -4.823  13.722
  397    HA   PRO  52           HA       PRO  52  62.795   0.521  11.412
  398   1HB   PRO  52           HB2      PRO  52  63.168   1.983   9.130
  399   2HB   PRO  52           HB1      PRO  52  64.034   0.470   9.458
  400   1HG   PRO  52           HG2      PRO  52  61.678   0.961   7.711
  401   2HG   PRO  52           HG1      PRO  52  63.059  -0.118   7.468
  402   1HD   PRO  52           HD2      PRO  52  60.595  -0.965   8.298
  403   2HD   PRO  52           HD1      PRO  52  62.112  -1.813   8.672
  404    H    THR  53           HN       THR  53  62.690   3.189  10.521
  405    HA   THR  53           HA       THR  53  59.819   3.961  10.916
  406    HB   THR  53           HB       THR  53  61.304   5.888  12.228
  407    HG1  THR  53           HG1      THR  53  62.528   4.163  13.596
  408   1HG2  THR  53          HG21      THR  53  59.322   4.051  12.816
  409   2HG2  THR  53          HG23      THR  53  60.612   3.607  13.933
  410   3HG2  THR  53          HG22      THR  53  59.968   5.249  13.937
  411    HA   PRO  54           HA       PRO  54  60.554   6.807   7.657
  412   1HB   PRO  54           HB2      PRO  54  58.889   8.861   8.353
  413   2HB   PRO  54           HB1      PRO  54  58.297   7.305   7.740
  414   1HG   PRO  54           HG2      PRO  54  58.408   8.321  10.532
  415   2HG   PRO  54           HG1      PRO  54  57.176   7.329   9.738
  416   1HD   PRO  54           HD2      PRO  54  59.078   6.336  11.442
  417   2HD   PRO  54           HD1      PRO  54  58.283   5.380  10.173
  418    H    GLU  55           HN       GLU  55  60.778   8.070  10.963
  419    HA   GLU  55           HA       GLU  55  62.188  10.506  10.245
  420   1HB   GLU  55           HB2      GLU  55  60.813   9.679  12.379
  421   2HB   GLU  55           HB1      GLU  55  62.419   9.192  12.925
  422   1HG   GLU  55           HG2      GLU  55  62.689  11.790  11.818
  423   2HG   GLU  55           HG1      GLU  55  61.271  11.829  12.865
  424    H    GLU  56           HN       GLU  56  63.133   7.188  10.782
  425    HA   GLU  56           HA       GLU  56  65.946   7.778  11.340
  426   1HB   GLU  56           HB2      GLU  56  64.177   5.405  10.911
  427   2HB   GLU  56           HB1      GLU  56  65.916   5.177  10.724
  428   1HG   GLU  56           HG2      GLU  56  65.737   6.680  13.042
  429   2HG   GLU  56           HG1      GLU  56  64.346   5.602  13.163
  430    H    LEU  57           HN       LEU  57  64.010   6.860   8.508
  431    HA   LEU  57           HA       LEU  57  66.270   6.426   6.743
  432   1HB   LEU  57           HB2      LEU  57  63.311   6.962   6.380
  433   2HB   LEU  57           HB1      LEU  57  64.389   6.622   5.025
  434    HG   LEU  57           HG       LEU  57  64.211   4.796   7.426
  435   1HD1  LEU  57          HD12      LEU  57  62.395   5.081   5.081
  436   2HD1  LEU  57          HD11      LEU  57  62.848   3.441   5.545
  437   3HD1  LEU  57          HD13      LEU  57  62.047   4.496   6.708
  438   1HD2  LEU  57          HD22      LEU  57  66.133   4.807   5.656
  439   2HD2  LEU  57          HD21      LEU  57  65.389   3.266   6.082
  440   3HD2  LEU  57          HD23      LEU  57  64.932   4.084   4.588
  441    H    GLN  58           HN       GLN  58  63.877   9.099   6.932
  442    HA   GLN  58           HA       GLN  58  65.001  10.849   5.058
  443   1HB   GLN  58           HB2      GLN  58  62.864  11.182   6.209
  444   2HB   GLN  58           HB1      GLN  58  63.703  11.416   7.743
  445   1HG   GLN  58           HG2      GLN  58  63.099  13.588   6.767
  446   2HG   GLN  58           HG1      GLN  58  64.853  13.398   6.796
  447   1HE2  GLN  58          HE22      GLN  58  65.159  13.214   3.243
  448   2HE2  GLN  58          HE21      GLN  58  65.928  12.854   4.714
  449    H    GLU  59           HN       GLU  59  65.787  10.630   8.549
  450    HA   GLU  59           HA       GLU  59  67.757  12.676   8.628
  451   1HB   GLU  59           HB2      GLU  59  66.653  10.652  10.283
  452   2HB   GLU  59           HB1      GLU  59  68.405  10.451  10.346
  453   1HG   GLU  59           HG2      GLU  59  67.095  13.155  10.674
  454   2HG   GLU  59           HG1      GLU  59  67.378  12.082  12.045
  455    H    MET  60           HN       MET  60  67.927   9.354   7.477
  456    HA   MET  60           HA       MET  60  70.882   9.464   7.246
  457   1HB   MET  60           HB2      MET  60  68.712   7.404   6.827
  458   2HB   MET  60           HB1      MET  60  70.374   7.096   6.323
  459   1HG   MET  60           HG2      MET  60  70.912   7.941   8.785
  460   2HG   MET  60           HG1      MET  60  69.257   7.410   9.081
  461   1HE   MET  60           HE3      MET  60  68.299   5.335   8.530
  462   2HE   MET  60           HE2      MET  60  69.105   3.791   8.791
  463   3HE   MET  60           HE1      MET  60  69.006   4.957  10.107
  464    H    ILE  61           HN       ILE  61  67.983   9.527   5.208
  465    HA   ILE  61           HA       ILE  61  69.272   9.190   2.669
  466    HB   ILE  61           HB       ILE  61  66.745  10.605   3.571
  467   1HG1  ILE  61          HG12      ILE  61  66.985   7.973   2.116
  468   2HG1  ILE  61          HG11      ILE  61  67.138   8.051   3.872
  469   1HG2  ILE  61          HG21      ILE  61  67.793  11.259   1.265
  470   2HG2  ILE  61          HG23      ILE  61  67.266   9.652   0.764
  471   3HG2  ILE  61          HG22      ILE  61  66.083  10.831   1.333
  472   1HD1  ILE  61          HD13      ILE  61  64.837   9.541   2.778
  473   2HD1  ILE  61          HD12      ILE  61  64.755   7.794   2.548
  474   3HD1  ILE  61          HD11      ILE  61  64.921   8.464   4.172
  475    H    ASP  62           HN       ASP  62  69.010  11.925   4.838
  476    HA   ASP  62           HA       ASP  62  69.418  14.089   3.050
  477   1HB   ASP  62           HB2      ASP  62  69.888  13.452   5.922
  478   2HB   ASP  62           HB1      ASP  62  70.717  14.873   5.284
  479    H    GLU  63           HN       GLU  63  71.805  11.995   4.692
  480    HA   GLU  63           HA       GLU  63  73.993  13.264   3.118
  481   1HB   GLU  63           HB2      GLU  63  73.832  11.406   5.504
  482   2HB   GLU  63           HB1      GLU  63  75.362  11.818   4.729
  483   1HG   GLU  63           HG2      GLU  63  74.131  14.285   5.055
  484   2HG   GLU  63           HG1      GLU  63  73.708  13.420   6.532
  485    H    VAL  64           HN       VAL  64  72.003  10.449   3.180
  486    HA   VAL  64           HA       VAL  64  73.915   8.710   1.772
  487    HB   VAL  64           HB       VAL  64  71.038   8.568   2.680
  488   1HG1  VAL  64          HG13      VAL  64  72.565   6.626   0.932
  489   2HG1  VAL  64          HG12      VAL  64  71.162   6.147   1.886
  490   3HG1  VAL  64          HG11      VAL  64  70.993   7.357   0.615
  491   1HG2  VAL  64          HG23      VAL  64  73.653   7.255   3.422
  492   2HG2  VAL  64          HG22      VAL  64  72.542   8.151   4.459
  493   3HG2  VAL  64          HG21      VAL  64  72.110   6.538   3.887
  494    H    ASP  65           HN       ASP  65  71.122  10.746   0.989
  495    HA   ASP  65           HA       ASP  65  70.755   9.832  -1.718
  496   1HB   ASP  65           HB2      ASP  65  69.335  11.783  -1.867
  497   2HB   ASP  65           HB1      ASP  65  69.178  11.152  -0.226
  498    H    GLU  66           HN       GLU  66  73.401   9.918  -1.795
  499    HA   GLU  66           HA       GLU  66  74.863  12.255  -2.202
  500   1HB   GLU  66           HB2      GLU  66  75.116   9.506  -2.652
  501   2HB   GLU  66           HB1      GLU  66  75.393  10.231  -4.236
  502   1HG   GLU  66           HG2      GLU  66  76.907  11.905  -2.868
  503   2HG   GLU  66           HG1      GLU  66  76.941  10.590  -1.693
  504    H    ASP  67           HN       ASP  67  72.945  10.513  -4.685
  505    HA   ASP  67           HA       ASP  67  72.698  13.105  -6.164
  506   1HB   ASP  67           HB2      ASP  67  72.986  11.611  -8.245
  507   2HB   ASP  67           HB1      ASP  67  74.434  11.915  -7.284
  508    H    GLY  68           HN       GLY  68  70.769  11.775  -4.415
  509   1HA   GLY  68           HA2      GLY  68  68.773  10.736  -6.376
  510   2HA   GLY  68           HA1      GLY  68  68.702  10.479  -4.631
  511    H    SER  69           HN       SER  69  69.032  12.982  -3.602
  512    HA   SER  69           HA       SER  69  67.955  15.063  -3.258
  513   1HB   SER  69           HB2      SER  69  68.462  14.945  -5.881
  514   2HB   SER  69           HB1      SER  69  66.705  14.868  -5.968
  515    HG   SER  69           HG       SER  69  66.819  16.745  -4.466
  516    H    GLY  70           HN       GLY  70  66.640  12.495  -2.615
  517   1HA   GLY  70           HA2      GLY  70  64.403  12.690  -1.438
  518   2HA   GLY  70           HA1      GLY  70  63.786  13.327  -2.962
  519    H    THR  71           HN       THR  71  66.006  11.019  -3.781
  520    HA   THR  71           HA       THR  71  64.143   8.715  -3.517
  521    HB   THR  71           HB       THR  71  64.030   8.417  -5.911
  522    HG1  THR  71           HG1      THR  71  65.332   9.452  -7.263
  523   1HG2  THR  71          HG22      THR  71  62.604  10.230  -4.787
  524   2HG2  THR  71          HG21      THR  71  63.723  11.393  -5.499
  525   3HG2  THR  71          HG23      THR  71  62.773  10.332  -6.539
  526    H    VAL  72           HN       VAL  72  65.262   6.765  -3.444
  527    HA   VAL  72           HA       VAL  72  68.239   6.938  -3.619
  528    HB   VAL  72           HB       VAL  72  67.913   4.631  -2.415
  529   1HG1  VAL  72          HG13      VAL  72  67.771   7.403  -1.468
  530   2HG1  VAL  72          HG12      VAL  72  67.135   6.225  -0.318
  531   3HG1  VAL  72          HG11      VAL  72  68.789   6.071  -0.917
  532   1HG2  VAL  72          HG22      VAL  72  65.319   4.953  -2.995
  533   2HG2  VAL  72          HG21      VAL  72  65.846   4.124  -1.530
  534   3HG2  VAL  72          HG23      VAL  72  65.346   5.813  -1.456
  535    H    ASP  73           HN       ASP  73  69.402   5.252  -4.705
  536    HA   ASP  73           HA       ASP  73  67.827   3.900  -6.864
  537   1HB   ASP  73           HB2      ASP  73  70.755   4.692  -6.648
  538   2HB   ASP  73           HB1      ASP  73  70.008   3.944  -8.059
  539    H    PHE  74           HN       PHE  74  69.121   1.779  -7.564
  540    HA   PHE  74           HA       PHE  74  68.987  -0.101  -5.450
  541   1HB   PHE  74           HB2      PHE  74  68.953  -0.463  -7.961
  542   2HB   PHE  74           HB1      PHE  74  70.704  -0.250  -7.946
  543    HD1  PHE  74           HD2      PHE  74  67.911  -2.369  -6.743
  544    HD2  PHE  74           HD1      PHE  74  72.171  -1.956  -7.100
  545    HE1  PHE  74           HE2      PHE  74  68.197  -4.744  -6.083
  546    HE2  PHE  74           HE1      PHE  74  72.458  -4.330  -6.441
  547    HZ   PHE  74           HZ       PHE  74  70.470  -5.724  -5.933
  548    H    ASP  75           HN       ASP  75  71.454   2.193  -6.185
  549    HA   ASP  75           HA       ASP  75  73.604   0.688  -4.837
  550   1HB   ASP  75           HB2      ASP  75  73.241   3.154  -6.437
  551   2HB   ASP  75           HB1      ASP  75  74.519   3.231  -5.224
  552    H    GLU  76           HN       GLU  76  71.489   3.482  -4.183
  553    HA   GLU  76           HA       GLU  76  72.737   4.123  -1.633
  554   1HB   GLU  76           HB2      GLU  76  70.027   4.813  -2.821
  555   2HB   GLU  76           HB1      GLU  76  70.795   5.642  -1.466
  556   1HG   GLU  76           HG2      GLU  76  72.121   5.392  -4.172
  557   2HG   GLU  76           HG1      GLU  76  71.075   6.748  -3.753
  558    H    PHE  77           HN       PHE  77  69.569   2.668  -2.500
  559    HA   PHE  77           HA       PHE  77  68.618   2.033   0.045
  560   1HB   PHE  77           HB2      PHE  77  67.495   1.712  -2.170
  561   2HB   PHE  77           HB1      PHE  77  68.518   0.304  -2.448
  562    HD1  PHE  77           HD1      PHE  77  67.073   1.345   0.815
  563    HD2  PHE  77           HD2      PHE  77  66.867  -1.425  -2.461
  564    HE1  PHE  77           HE1      PHE  77  65.490  -0.062   2.104
  565    HE2  PHE  77           HE2      PHE  77  65.284  -2.833  -1.171
  566    HZ   PHE  77           HZ       PHE  77  64.595  -2.151   1.111
  567    H    LEU  78           HN       LEU  78  70.784   0.010  -1.974
  568    HA   LEU  78           HA       LEU  78  71.095  -2.199  -0.270
  569   1HB   LEU  78           HB2      LEU  78  72.635  -0.797  -2.378
  570   2HB   LEU  78           HB1      LEU  78  73.579  -1.877  -1.353
  571    HG   LEU  78           HG       LEU  78  72.569  -2.966  -3.412
  572   1HD1  LEU  78          HD13      LEU  78  73.164  -4.062  -1.101
  573   2HD1  LEU  78          HD12      LEU  78  71.414  -4.207  -0.928
  574   3HD1  LEU  78          HD11      LEU  78  72.233  -4.986  -2.281
  575   1HD2  LEU  78          HD23      LEU  78  70.400  -1.678  -3.205
  576   2HD2  LEU  78          HD22      LEU  78  70.195  -3.416  -3.425
  577   3HD2  LEU  78          HD21      LEU  78  69.998  -2.700  -1.825
  578    H    VAL  79           HN       VAL  79  73.092   0.782  -0.308
  579    HA   VAL  79           HA       VAL  79  74.757   0.122   1.903
  580    HB   VAL  79           HB       VAL  79  73.736   2.782   0.854
  581   1HG1  VAL  79          HG12      VAL  79  74.713   2.951   3.132
  582   2HG1  VAL  79          HG11      VAL  79  76.176   2.157   2.546
  583   3HG1  VAL  79          HG13      VAL  79  75.725   3.745   1.924
  584   1HG2  VAL  79          HG23      VAL  79  75.807   0.832   0.004
  585   2HG2  VAL  79          HG22      VAL  79  74.905   2.006  -0.955
  586   3HG2  VAL  79          HG21      VAL  79  76.299   2.526  -0.009
  587    H    MET  80           HN       MET  80  71.698   1.980   1.805
  588    HA   MET  80           HA       MET  80  71.542   2.533   4.605
  589   1HB   MET  80           HB2      MET  80  69.540   2.259   2.354
  590   2HB   MET  80           HB1      MET  80  69.056   2.753   3.976
  591   1HG   MET  80           HG2      MET  80  71.270   4.350   3.444
  592   2HG   MET  80           HG1      MET  80  70.419   4.295   1.901
  593   1HE   MET  80           HE2      MET  80  68.143   4.735   1.482
  594   2HE   MET  80           HE1      MET  80  67.271   6.072   2.228
  595   3HE   MET  80           HE3      MET  80  68.836   6.355   1.453
  596    H    MET  81           HN       MET  81  70.807  -0.345   2.741
  597    HA   MET  81           HA       MET  81  69.155  -1.607   4.790
  598   1HB   MET  81           HB2      MET  81  70.027  -2.024   2.077
  599   2HB   MET  81           HB1      MET  81  70.302  -3.498   3.006
  600   1HG   MET  81           HG2      MET  81  67.691  -1.968   2.802
  601   2HG   MET  81           HG1      MET  81  68.043  -3.536   2.076
  602   1HE   MET  81           HE3      MET  81  66.202  -4.732   2.934
  603   2HE   MET  81           HE2      MET  81  65.707  -4.948   4.611
  604   3HE   MET  81           HE1      MET  81  65.461  -3.392   3.822
  605    H    VAL  82           HN       VAL  82  72.557  -1.879   3.739
  606    HA   VAL  82           HA       VAL  82  73.265  -3.985   5.582
  607    HB   VAL  82           HB       VAL  82  75.548  -3.343   4.919
  608   1HG1  VAL  82          HG12      VAL  82  73.466  -4.090   3.194
  609   2HG1  VAL  82          HG11      VAL  82  74.330  -2.817   2.332
  610   3HG1  VAL  82          HG13      VAL  82  75.194  -4.252   2.884
  611   1HG2  VAL  82          HG22      VAL  82  74.758  -0.802   5.050
  612   2HG2  VAL  82          HG21      VAL  82  76.093  -1.283   4.003
  613   3HG2  VAL  82          HG23      VAL  82  74.482  -1.044   3.326
  614    H    ARG  83           HN       ARG  83  72.651  -0.628   6.012
  615    HA   ARG  83           HA       ARG  83  74.309  -0.452   8.474
  616   1HB   ARG  83           HB2      ARG  83  74.014   1.304   6.552
  617   2HB   ARG  83           HB1      ARG  83  72.491   1.676   7.361
  618   1HG   ARG  83           HG2      ARG  83  73.611   2.262   9.397
  619   2HG   ARG  83           HG1      ARG  83  75.142   1.606   8.818
  620   1HD   ARG  83           HD2      ARG  83  74.880   3.361   6.885
  621   2HD   ARG  83           HD1      ARG  83  73.760   4.158   8.009
  622    HE   ARG  83           HE       ARG  83  76.628   4.053   8.322
  623   1HH1  ARG  83          HH11      ARG  83  73.837   5.239   9.664
  624   2HH1  ARG  83          HH12      ARG  83  74.380   5.205  11.309
  625   1HH2  ARG  83          HH21      ARG  83  77.258   3.406  10.601
  626   2HH2  ARG  83          HH22      ARG  83  76.317   4.169  11.839
  627    H    CYS  84           HN       CYS  84  71.306  -1.620   7.708
  628    HA   CYS  84           HA       CYS  84  70.126  -0.715  10.316
  629   1HB   CYS  84           HB2      CYS  84  69.110  -1.052   7.550
  630   2HB   CYS  84           HB1      CYS  84  68.026  -1.609   8.824
  631    HG   CYS  84           HG       CYS  84  67.447   0.790   9.073
  632    H    MET  85           HN       MET  85  71.903  -3.121   9.553
  633    HA   MET  85           HA       MET  85  70.064  -5.398  10.029
  634   1HB   MET  85           HB2      MET  85  73.080  -5.323   9.716
  635   2HB   MET  85           HB1      MET  85  72.020  -6.714   9.483
  636   1HG   MET  85           HG2      MET  85  70.937  -4.789   7.797
  637   2HG   MET  85           HG1      MET  85  72.676  -4.551   7.628
  638   1HE   MET  85           HE2      MET  85  70.965  -4.996   5.594
  639   2HE   MET  85           HE1      MET  85  71.993  -6.017   4.592
  640   3HE   MET  85           HE3      MET  85  70.402  -6.593   5.106
  641    H    LYS  86           HN       LYS  86  69.731  -4.112  12.265
  642    HA   LYS  86           HA       LYS  86  70.995  -5.700  14.325
  643   1HB   LYS  86           HB2      LYS  86  72.694  -3.890  13.397
  644   2HB   LYS  86           HB1      LYS  86  71.778  -2.806  14.447
  645   1HG   LYS  86           HG2      LYS  86  72.125  -4.552  16.294
  646   2HG   LYS  86           HG1      LYS  86  73.326  -5.282  15.226
  647   1HD   LYS  86           HD2      LYS  86  73.346  -2.482  16.378
  648   2HD   LYS  86           HD1      LYS  86  74.514  -3.772  16.668
  649   1HE   LYS  86           HE2      LYS  86  75.127  -3.712  14.238
  650   2HE   LYS  86           HE1      LYS  86  74.047  -2.317  14.041
  651   1HZ   LYS  86           HZ3      LYS  86  75.299  -1.379  16.048
  652   2HZ   LYS  86           HZ2      LYS  86  76.490  -2.538  15.689
  653   3HZ   LYS  86           HZ1      LYS  86  76.085  -1.348  14.545
  654    H    ASP  87           HN       ASP  87  68.985  -5.928  15.326
  655    HA   ASP  87           HA       ASP  87  67.863  -3.500  16.619
  656   1HB   ASP  87           HB2      ASP  87  66.745  -4.978  14.333
  657   2HB   ASP  87           HB1      ASP  87  65.605  -4.780  15.665
  658    H    ASP  88           HN       ASP  88  66.753  -6.858  16.034
  659    HA   ASP  88           HA       ASP  88  67.161  -7.519  18.894
  660   1HB   ASP  88           HB2      ASP  88  64.958  -6.311  18.610
  661   2HB   ASP  88           HB1      ASP  88  64.437  -7.633  17.566
  662    H    SER  89           HN       SER  89  68.581  -9.170  18.024
  663    HA   SER  89           HA       SER  89  67.266 -11.679  17.403
  664   1HB   SER  89           HB2      SER  89  67.240 -10.133  15.279
  665   2HB   SER  89           HB1      SER  89  68.942 -10.573  15.160
  666    HG   SER  89           HG       SER  89  67.063 -12.596  15.608
   
  No H/Q in entry =         666
  Start of MODEL   36
    1   1H    MET   1           HT2      MET   1  87.626   4.182  -1.293
    2   2H    MET   1           HT1      MET   1  88.049   3.033  -2.471
    3   3H    MET   1           HT3      MET   1  89.179   4.199  -1.982
    4    HA   MET   1           HA       MET   1  88.081   5.930  -3.087
    5   1HB   MET   1           HB2      MET   1  89.309   4.387  -4.527
    6   2HB   MET   1           HB1      MET   1  87.906   3.323  -4.631
    7   1HG   MET   1           HG2      MET   1  87.392   4.484  -6.509
    8   2HG   MET   1           HG1      MET   1  86.855   5.750  -5.404
    9   1HE   MET   1           HE2      MET   1  87.629   7.520  -4.842
   10   2HE   MET   1           HE1      MET   1  89.294   8.097  -4.840
   11   3HE   MET   1           HE3      MET   1  88.212   8.506  -6.180
   12    H    ASP   2           HN       ASP   2  86.033   3.149  -2.464
   13    HA   ASP   2           HA       ASP   2  83.639   4.741  -3.319
   14   1HB   ASP   2           HB2      ASP   2  84.458   1.879  -3.426
   15   2HB   ASP   2           HB1      ASP   2  82.751   2.199  -3.119
   16    H    ASP   3           HN       ASP   3  84.546   5.468  -0.855
   17    HA   ASP   3           HA       ASP   3  84.032   5.485   1.461
   18   1HB   ASP   3           HB2      ASP   3  81.451   4.623   0.114
   19   2HB   ASP   3           HB1      ASP   3  81.549   5.199   1.778
   20    H    ILE   4           HN       ILE   4  82.439   3.896   3.043
   21    HA   ILE   4           HA       ILE   4  83.848   1.278   2.897
   22    HB   ILE   4           HB       ILE   4  83.353   1.168   5.242
   23   1HG1  ILE   4          HG12      ILE   4  81.407   3.435   4.703
   24   2HG1  ILE   4          HG11      ILE   4  80.984   1.778   5.133
   25   1HG2  ILE   4          HG21      ILE   4  84.944   3.036   4.301
   26   2HG2  ILE   4          HG23      ILE   4  83.687   4.132   4.875
   27   3HG2  ILE   4          HG22      ILE   4  84.500   3.053   6.008
   28   1HD1  ILE   4          HD13      ILE   4  82.854   3.197   6.963
   29   2HD1  ILE   4          HD12      ILE   4  81.174   3.734   6.972
   30   3HD1  ILE   4          HD11      ILE   4  81.565   2.053   7.337
   31    H    TYR   5           HN       TYR   5  80.668   2.697   2.581
   32    HA   TYR   5           HA       TYR   5  78.984   0.494   3.128
   33   1HB   TYR   5           HB2      TYR   5  78.762   2.588   0.940
   34   2HB   TYR   5           HB1      TYR   5  77.425   1.680   1.642
   35    HD1  TYR   5           HD2      TYR   5  79.174   1.901   4.449
   36    HD2  TYR   5           HD1      TYR   5  77.338   4.611   1.665
   37    HE1  TYR   5           HE2      TYR   5  78.961   3.601   6.242
   38    HE2  TYR   5           HE1      TYR   5  77.127   6.310   3.459
   39    HH   TYR   5           HH       TYR   5  77.711   6.854   5.552
   40    H    LYS   6           HN       LYS   6  80.965   1.198   0.280
   41    HA   LYS   6           HA       LYS   6  79.925  -0.549  -1.637
   42   1HB   LYS   6           HB2      LYS   6  82.338  -0.698  -2.371
   43   2HB   LYS   6           HB1      LYS   6  81.794   0.947  -2.041
   44   1HG   LYS   6           HG2      LYS   6  82.872   0.973   0.097
   45   2HG   LYS   6           HG1      LYS   6  83.179  -0.763   0.035
   46   1HD   LYS   6           HD2      LYS   6  84.412   0.005  -2.251
   47   2HD   LYS   6           HD1      LYS   6  84.634   1.462  -1.283
   48   1HE   LYS   6           HE2      LYS   6  85.611   0.095   0.546
   49   2HE   LYS   6           HE1      LYS   6  85.427  -1.356  -0.461
   50   1HZ   LYS   6           HZ3      LYS   6  86.632   0.038  -2.227
   51   2HZ   LYS   6           HZ2      LYS   6  87.132   1.012  -0.927
   52   3HZ   LYS   6           HZ1      LYS   6  87.559  -0.632  -0.974
   53    H    ALA   7           HN       ALA   7  81.478  -1.341   1.383
   54    HA   ALA   7           HA       ALA   7  82.194  -4.077   0.673
   55   1HB   ALA   7           HB3      ALA   7  83.220  -2.571   2.449
   56   2HB   ALA   7           HB2      ALA   7  81.762  -2.839   3.405
   57   3HB   ALA   7           HB1      ALA   7  82.813  -4.196   2.999
   58    H    ALA   8           HN       ALA   8  79.467  -2.510   2.345
   59    HA   ALA   8           HA       ALA   8  78.106  -4.739   3.364
   60   1HB   ALA   8           HB3      ALA   8  77.536  -2.000   2.491
   61   2HB   ALA   8           HB2      ALA   8  76.137  -3.063   2.341
   62   3HB   ALA   8           HB1      ALA   8  76.935  -2.869   3.902
   63    H    VAL   9           HN       VAL   9  78.383  -3.655   0.016
   64    HA   VAL   9           HA       VAL   9  76.330  -5.544  -0.938
   65    HB   VAL   9           HB       VAL   9  78.316  -3.887  -2.511
   66   1HG1  VAL   9          HG11      VAL   9  75.627  -5.146  -3.051
   67   2HG1  VAL   9          HG13      VAL   9  76.223  -3.808  -4.035
   68   3HG1  VAL   9          HG12      VAL   9  77.125  -5.322  -3.965
   69   1HG2  VAL   9          HG22      VAL   9  75.683  -3.081  -1.241
   70   2HG2  VAL   9          HG21      VAL   9  77.272  -2.385  -0.923
   71   3HG2  VAL   9          HG23      VAL   9  76.497  -2.138  -2.489
   72    H    GLU  10           HN       GLU  10  79.871  -5.295  -0.849
   73    HA   GLU  10           HA       GLU  10  80.419  -7.478  -2.637
   74   1HB   GLU  10           HB2      GLU  10  82.639  -7.116  -1.958
   75   2HB   GLU  10           HB1      GLU  10  81.891  -5.554  -1.632
   76   1HG   GLU  10           HG2      GLU  10  82.795  -5.820   0.442
   77   2HG   GLU  10           HG1      GLU  10  81.401  -6.867   0.716
   78    H    GLN  11           HN       GLN  11  79.394  -7.360   0.691
   79    HA   GLN  11           HA       GLN  11  80.303 -10.064   1.362
   80   1HB   GLN  11           HB2      GLN  11  78.628  -7.895   2.613
   81   2HB   GLN  11           HB1      GLN  11  78.686  -9.500   3.344
   82   1HG   GLN  11           HG2      GLN  11  80.920  -9.316   3.909
   83   2HG   GLN  11           HG1      GLN  11  81.273  -8.212   2.580
   84   1HE2  GLN  11          HE21      GLN  11  79.708  -8.367   5.797
   85   2HE2  GLN  11          HE22      GLN  11  79.837  -6.705   6.114
   86    H    LEU  12           HN       LEU  12  77.439  -8.589  -0.013
   87    HA   LEU  12           HA       LEU  12  75.603 -10.762   0.533
   88   1HB   LEU  12           HB2      LEU  12  75.642  -8.612  -1.612
   89   2HB   LEU  12           HB1      LEU  12  74.230  -9.556  -1.136
   90    HG   LEU  12           HG       LEU  12  75.776  -7.988   0.917
   91   1HD1  LEU  12          HD13      LEU  12  74.821  -6.696  -1.252
   92   2HD1  LEU  12          HD12      LEU  12  73.344  -6.774  -0.292
   93   3HD1  LEU  12          HD11      LEU  12  74.782  -5.994   0.365
   94   1HD2  LEU  12          HD22      LEU  12  73.817  -9.776   1.233
   95   2HD2  LEU  12          HD21      LEU  12  73.914  -8.335   2.246
   96   3HD2  LEU  12          HD23      LEU  12  72.811  -8.375   0.870
   97    H    THR  13           HN       THR  13  74.515 -11.629  -1.749
   98    HA   THR  13           HA       THR  13  76.729 -12.644  -3.488
   99    HB   THR  13           HB       THR  13  75.829 -14.907  -3.228
  100    HG1  THR  13           HG1      THR  13  73.742 -14.791  -2.853
  101   1HG2  THR  13          HG22      THR  13  77.236 -13.546  -1.331
  102   2HG2  THR  13          HG21      THR  13  75.854 -14.099  -0.385
  103   3HG2  THR  13          HG23      THR  13  76.865 -15.268  -1.234
  104    H    GLU  14           HN       GLU  14  75.937 -13.400  -5.594
  105    HA   GLU  14           HA       GLU  14  74.148 -11.791  -6.963
  106   1HB   GLU  14           HB2      GLU  14  75.719 -13.910  -7.539
  107   2HB   GLU  14           HB1      GLU  14  74.143 -14.694  -7.633
  108   1HG   GLU  14           HG2      GLU  14  74.441 -13.901  -9.820
  109   2HG   GLU  14           HG1      GLU  14  73.477 -12.623  -9.081
  110    H    GLU  15           HN       GLU  15  73.365 -14.819  -5.237
  111    HA   GLU  15           HA       GLU  15  70.617 -15.000  -5.910
  112   1HB   GLU  15           HB2      GLU  15  72.286 -16.547  -4.606
  113   2HB   GLU  15           HB1      GLU  15  71.714 -15.670  -3.186
  114   1HG   GLU  15           HG2      GLU  15  69.333 -16.203  -4.158
  115   2HG   GLU  15           HG1      GLU  15  70.184 -17.476  -5.034
  116    H    GLN  16           HN       GLN  16  72.170 -13.340  -3.142
  117    HA   GLN  16           HA       GLN  16  69.718 -12.328  -2.017
  118   1HB   GLN  16           HB2      GLN  16  72.661 -11.899  -1.762
  119   2HB   GLN  16           HB1      GLN  16  71.606 -10.654  -1.091
  120   1HG   GLN  16           HG2      GLN  16  70.857 -12.009   0.581
  121   2HG   GLN  16           HG1      GLN  16  70.811 -13.430  -0.462
  122   1HE2  GLN  16          HE22      GLN  16  73.601 -14.476   1.506
  123   2HE2  GLN  16          HE21      GLN  16  71.933 -14.673   1.264
  124    H    LYS  17           HN       LYS  17  71.958 -11.112  -4.470
  125    HA   LYS  17           HA       LYS  17  70.995  -8.406  -4.569
  126   1HB   LYS  17           HB2      LYS  17  73.132  -9.350  -5.510
  127   2HB   LYS  17           HB1      LYS  17  72.175 -10.126  -6.773
  128   1HG   LYS  17           HG2      LYS  17  72.586  -8.186  -7.906
  129   2HG   LYS  17           HG1      LYS  17  71.233  -7.584  -6.948
  130   1HD   LYS  17           HD2      LYS  17  72.932  -5.980  -6.595
  131   2HD   LYS  17           HD1      LYS  17  73.012  -7.005  -5.162
  132   1HE   LYS  17           HE2      LYS  17  74.869  -8.286  -6.148
  133   2HE   LYS  17           HE1      LYS  17  74.779  -7.297  -7.619
  134   1HZ   LYS  17           HZ3      LYS  17  75.230  -6.257  -4.871
  135   2HZ   LYS  17           HZ2      LYS  17  76.428  -6.418  -6.065
  136   3HZ   LYS  17           HZ1      LYS  17  75.148  -5.322  -6.284
  137    H    ASN  18           HN       ASN  18  69.885 -11.418  -6.039
  138    HA   ASN  18           HA       ASN  18  68.076 -10.193  -7.948
  139   1HB   ASN  18           HB2      ASN  18  68.642 -12.899  -6.794
  140   2HB   ASN  18           HB1      ASN  18  67.137 -12.673  -7.687
  141   1HD2  ASN  18          HD22      ASN  18  69.686 -13.648 -10.201
  142   2HD2  ASN  18          HD21      ASN  18  68.920 -14.387  -8.878
  143    H    GLU  19           HN       GLU  19  67.577 -11.767  -4.764
  144    HA   GLU  19           HA       GLU  19  64.808 -11.530  -4.500
  145   1HB   GLU  19           HB2      GLU  19  66.781 -12.386  -2.948
  146   2HB   GLU  19           HB1      GLU  19  66.618 -10.786  -2.223
  147   1HG   GLU  19           HG2      GLU  19  64.275 -11.180  -1.735
  148   2HG   GLU  19           HG1      GLU  19  64.307 -12.708  -2.616
  149    H    PHE  20           HN       PHE  20  67.177  -9.080  -3.361
  150    HA   PHE  20           HA       PHE  20  65.309  -7.059  -2.689
  151   1HB   PHE  20           HB2      PHE  20  68.185  -7.350  -3.260
  152   2HB   PHE  20           HB1      PHE  20  67.562  -5.727  -3.552
  153    HD1  PHE  20           HD2      PHE  20  65.504  -5.334  -1.580
  154    HD2  PHE  20           HD1      PHE  20  69.254  -7.389  -1.180
  155    HE1  PHE  20           HE2      PHE  20  65.481  -4.900   0.861
  156    HE2  PHE  20           HE1      PHE  20  69.232  -6.954   1.261
  157    HZ   PHE  20           HZ       PHE  20  67.345  -5.710   2.282
  158    H    LYS  21           HN       LYS  21  66.892  -7.771  -5.804
  159    HA   LYS  21           HA       LYS  21  66.015  -5.493  -7.260
  160   1HB   LYS  21           HB2      LYS  21  67.671  -7.375  -7.845
  161   2HB   LYS  21           HB1      LYS  21  66.259  -8.309  -8.339
  162   1HG   LYS  21           HG2      LYS  21  65.740  -6.841 -10.092
  163   2HG   LYS  21           HG1      LYS  21  66.663  -5.517  -9.382
  164   1HD   LYS  21           HD2      LYS  21  68.745  -6.520  -9.966
  165   2HD   LYS  21           HD1      LYS  21  67.979  -8.066 -10.337
  166   1HE   LYS  21           HE2      LYS  21  67.392  -7.399 -12.441
  167   2HE   LYS  21           HE1      LYS  21  66.931  -5.774 -11.891
  168   1HZ   LYS  21           HZ1      LYS  21  69.351  -5.354 -11.533
  169   2HZ   LYS  21           HZ3      LYS  21  69.677  -6.813 -12.335
  170   3HZ   LYS  21           HZ2      LYS  21  68.910  -5.543 -13.163
  171    H    ALA  22           HN       ALA  22  64.367  -8.541  -6.493
  172    HA   ALA  22           HA       ALA  22  62.108  -8.146  -8.250
  173   1HB   ALA  22           HB3      ALA  22  62.899  -9.870  -5.943
  174   2HB   ALA  22           HB2      ALA  22  61.182  -9.795  -6.341
  175   3HB   ALA  22           HB1      ALA  22  62.345 -10.336  -7.551
  176    H    ALA  23           HN       ALA  23  62.936  -6.964  -5.057
  177    HA   ALA  23           HA       ALA  23  60.163  -5.916  -4.671
  178   1HB   ALA  23           HB1      ALA  23  62.529  -6.567  -2.940
  179   2HB   ALA  23           HB3      ALA  23  61.340  -5.401  -2.357
  180   3HB   ALA  23           HB2      ALA  23  60.843  -7.048  -2.745
  181    H    PHE  24           HN       PHE  24  63.197  -4.955  -5.817
  182    HA   PHE  24           HA       PHE  24  63.042  -2.168  -4.846
  183   1HB   PHE  24           HB2      PHE  24  65.198  -3.259  -4.988
  184   2HB   PHE  24           HB1      PHE  24  64.904  -3.724  -6.664
  185    HD1  PHE  24           HD1      PHE  24  65.465  -0.831  -4.399
  186    HD2  PHE  24           HD2      PHE  24  65.288  -2.201  -8.466
  187    HE1  PHE  24           HE1      PHE  24  66.430   1.320  -5.167
  188    HE2  PHE  24           HE2      PHE  24  66.254  -0.050  -9.234
  189    HZ   PHE  24           HZ       PHE  24  66.825   1.710  -7.584
  190    H    ASP  25           HN       ASP  25  62.937  -3.875  -7.994
  191    HA   ASP  25           HA       ASP  25  62.370  -1.565  -9.590
  192   1HB   ASP  25           HB2      ASP  25  63.190  -3.578 -10.589
  193   2HB   ASP  25           HB1      ASP  25  61.897  -4.541  -9.873
  194    H    ILE  26           HN       ILE  26  60.442  -3.205  -7.304
  195    HA   ILE  26           HA       ILE  26  57.841  -2.868  -8.550
  196    HB   ILE  26           HB       ILE  26  58.866  -3.361  -5.749
  197   1HG1  ILE  26          HG12      ILE  26  57.596  -5.052  -7.917
  198   2HG1  ILE  26          HG11      ILE  26  59.213  -5.220  -7.233
  199   1HG2  ILE  26          HG22      ILE  26  56.013  -3.241  -6.770
  200   2HG2  ILE  26          HG21      ILE  26  56.478  -3.966  -5.231
  201   3HG2  ILE  26          HG23      ILE  26  56.728  -2.241  -5.505
  202   1HD1  ILE  26          HD13      ILE  26  57.358  -5.295  -5.077
  203   2HD1  ILE  26          HD12      ILE  26  56.776  -6.402  -6.320
  204   3HD1  ILE  26          HD11      ILE  26  58.398  -6.594  -5.658
  205    H    PHE  27           HN       PHE  27  60.016  -0.588  -7.455
  206    HA   PHE  27           HA       PHE  27  57.808   1.363  -6.910
  207   1HB   PHE  27           HB2      PHE  27  60.372   0.849  -5.380
  208   2HB   PHE  27           HB1      PHE  27  59.405   2.307  -5.160
  209    HD1  PHE  27           HD2      PHE  27  57.138   2.191  -4.208
  210    HD2  PHE  27           HD1      PHE  27  59.582  -1.318  -4.616
  211    HE1  PHE  27           HE2      PHE  27  55.627   0.959  -2.674
  212    HE2  PHE  27           HE1      PHE  27  58.071  -2.549  -3.082
  213    HZ   PHE  27           HZ       PHE  27  56.093  -1.410  -2.112
  214    H    VAL  28           HN       VAL  28  59.668   0.728  -9.267
  215    HA   VAL  28           HA       VAL  28  61.203   3.283  -9.425
  216    HB   VAL  28           HB       VAL  28  61.169   0.846 -11.232
  217   1HG1  VAL  28          HG12      VAL  28  62.177   3.343 -11.732
  218   2HG1  VAL  28          HG11      VAL  28  63.569   2.548 -10.997
  219   3HG1  VAL  28          HG13      VAL  28  62.815   1.856 -12.433
  220   1HG2  VAL  28          HG23      VAL  28  62.911   1.564  -8.856
  221   2HG2  VAL  28          HG22      VAL  28  61.876   0.147  -9.029
  222   3HG2  VAL  28          HG21      VAL  28  63.325   0.308 -10.023
  223    H    LEU  29           HN       LEU  29  58.189   2.957  -9.751
  224    HA   LEU  29           HA       LEU  29  57.301   3.083 -12.401
  225   1HB   LEU  29           HB2      LEU  29  55.528   4.605 -11.382
  226   2HB   LEU  29           HB1      LEU  29  55.792   3.087 -10.522
  227    HG   LEU  29           HG       LEU  29  57.617   5.139  -9.582
  228   1HD1  LEU  29          HD13      LEU  29  55.759   6.640 -10.284
  229   2HD1  LEU  29          HD12      LEU  29  54.650   5.700  -9.285
  230   3HD1  LEU  29          HD11      LEU  29  55.961   6.607  -8.532
  231   1HD2  LEU  29          HD23      LEU  29  56.490   2.872  -8.608
  232   2HD2  LEU  29          HD22      LEU  29  57.168   4.129  -7.574
  233   3HD2  LEU  29          HD21      LEU  29  55.431   4.076  -7.874
  234    H    GLY  30           HN       GLY  30  59.264   5.384 -10.672
  235   1HA   GLY  30           HA2      GLY  30  59.860   6.885 -13.041
  236   2HA   GLY  30           HA1      GLY  30  58.697   7.775 -12.060
  237    H    ALA  31           HN       ALA  31  61.801   7.875 -12.679
  238    HA   ALA  31           HA       ALA  31  62.552   9.219 -10.257
  239   1HB   ALA  31           HB3      ALA  31  62.987   6.277 -10.497
  240   2HB   ALA  31           HB2      ALA  31  64.294   7.222  -9.781
  241   3HB   ALA  31           HB1      ALA  31  62.685   7.251  -9.057
  242    H    GLU  32           HN       GLU  32  65.262   8.934 -10.213
  243    HA   GLU  32           HA       GLU  32  66.187  10.347 -12.498
  244   1HB   GLU  32           HB2      GLU  32  67.411   8.787 -10.237
  245   2HB   GLU  32           HB1      GLU  32  68.451   9.417 -11.515
  246   1HG   GLU  32           HG2      GLU  32  66.509  11.069  -9.873
  247   2HG   GLU  32           HG1      GLU  32  68.256  11.019  -9.635
  248    H    ASP  33           HN       ASP  33  66.561   6.881 -11.662
  249    HA   ASP  33           HA       ASP  33  66.320   5.974 -14.376
  250   1HB   ASP  33           HB2      ASP  33  68.830   5.399 -14.573
  251   2HB   ASP  33           HB1      ASP  33  68.381   7.090 -14.796
  252    H    GLY  34           HN       GLY  34  65.091   4.333 -13.267
  253   1HA   GLY  34           HA2      GLY  34  64.841   2.192 -12.333
  254   2HA   GLY  34           HA1      GLY  34  66.588   2.002 -12.489
  255    H    CYS  35           HN       CYS  35  64.657   4.345 -10.609
  256    HA   CYS  35           HA       CYS  35  65.930   3.257  -8.122
  257   1HB   CYS  35           HB2      CYS  35  65.481   6.183  -8.767
  258   2HB   CYS  35           HB1      CYS  35  66.450   5.510  -7.456
  259    HG   CYS  35           HG       CYS  35  68.258   4.814  -9.138
  260    H    ILE  36           HN       ILE  36  64.702   4.115  -6.127
  261    HA   ILE  36           HA       ILE  36  61.773   4.266  -6.766
  262    HB   ILE  36           HB       ILE  36  61.450   3.036  -4.692
  263   1HG1  ILE  36          HG12      ILE  36  64.461   3.134  -4.346
  264   2HG1  ILE  36          HG11      ILE  36  63.348   4.208  -3.495
  265   1HG2  ILE  36          HG23      ILE  36  62.285   1.878  -6.857
  266   2HG2  ILE  36          HG22      ILE  36  63.822   1.715  -6.005
  267   3HG2  ILE  36          HG21      ILE  36  62.366   0.965  -5.350
  268   1HD1  ILE  36          HD13      ILE  36  62.140   2.017  -2.780
  269   2HD1  ILE  36          HD12      ILE  36  63.645   1.221  -3.241
  270   3HD1  ILE  36          HD11      ILE  36  63.647   2.442  -1.969
  271    H    SER  37           HN       SER  37  60.501   5.453  -5.048
  272    HA   SER  37           HA       SER  37  61.821   8.007  -4.415
  273   1HB   SER  37           HB2      SER  37  59.248   7.071  -5.048
  274   2HB   SER  37           HB1      SER  37  59.135   7.607  -3.375
  275    HG   SER  37           HG       SER  37  58.788   9.373  -4.677
  276    H    THR  38           HN       THR  38  62.704   8.460  -2.434
  277    HA   THR  38           HA       THR  38  63.145   6.689  -0.345
  278    HB   THR  38           HB       THR  38  63.372   8.784   1.031
  279    HG1  THR  38           HG1      THR  38  62.679  10.243  -1.245
  280   1HG2  THR  38          HG23      THR  38  64.565   8.328  -1.637
  281   2HG2  THR  38          HG22      THR  38  64.771   9.955  -0.990
  282   3HG2  THR  38          HG21      THR  38  65.351   8.562  -0.076
  283    H    LYS  39           HN       LYS  39  60.405   8.994  -0.565
  284    HA   LYS  39           HA       LYS  39  59.074   8.265   1.825
  285   1HB   LYS  39           HB2      LYS  39  58.079   9.202  -0.883
  286   2HB   LYS  39           HB1      LYS  39  57.071   9.159   0.564
  287   1HG   LYS  39           HG2      LYS  39  58.314  10.832   1.638
  288   2HG   LYS  39           HG1      LYS  39  59.729  10.566   0.619
  289   1HD   LYS  39           HD2      LYS  39  58.969  11.958  -1.003
  290   2HD   LYS  39           HD1      LYS  39  57.321  11.344  -0.879
  291   1HE   LYS  39           HE2      LYS  39  57.742  12.712   1.537
  292   2HE   LYS  39           HE1      LYS  39  58.450  13.754   0.287
  293   1HZ   LYS  39           HZ3      LYS  39  55.863  12.419  -0.176
  294   2HZ   LYS  39           HZ2      LYS  39  55.919  13.873   0.701
  295   3HZ   LYS  39           HZ1      LYS  39  56.482  13.821  -0.902
  296    H    GLU  40           HN       GLU  40  59.449   6.509  -1.139
  297    HA   GLU  40           HA       GLU  40  57.158   4.710  -0.568
  298   1HB   GLU  40           HB2      GLU  40  59.227   4.830  -2.789
  299   2HB   GLU  40           HB1      GLU  40  57.824   3.761  -2.772
  300   1HG   GLU  40           HG2      GLU  40  57.392   6.701  -2.378
  301   2HG   GLU  40           HG1      GLU  40  57.711   6.103  -4.007
  302    H    LEU  41           HN       LEU  41  60.708   4.707  -0.595
  303    HA   LEU  41           HA       LEU  41  61.403   2.044  -0.387
  304   1HB   LEU  41           HB2      LEU  41  63.004   3.857  -0.263
  305   2HB   LEU  41           HB1      LEU  41  62.303   4.435   1.250
  306    HG   LEU  41           HG       LEU  41  63.169   1.602   1.253
  307   1HD1  LEU  41          HD13      LEU  41  65.118   3.913   1.047
  308   2HD1  LEU  41          HD12      LEU  41  65.557   2.319   1.664
  309   3HD1  LEU  41          HD11      LEU  41  65.021   2.501  -0.006
  310   1HD2  LEU  41          HD23      LEU  41  62.269   2.946   3.213
  311   2HD2  LEU  41          HD22      LEU  41  63.820   2.159   3.505
  312   3HD2  LEU  41          HD21      LEU  41  63.759   3.887   3.155
  313    H    GLY  42           HN       GLY  42  59.576   3.921   1.956
  314   1HA   GLY  42           HA2      GLY  42  59.888   2.328   4.267
  315   2HA   GLY  42           HA1      GLY  42  58.422   3.234   3.884
  316    H    LYS  43           HN       LYS  43  57.221   2.086   1.878
  317    HA   LYS  43           HA       LYS  43  56.153  -0.369   2.831
  318   1HB   LYS  43           HB2      LYS  43  56.261   0.822   0.040
  319   2HB   LYS  43           HB1      LYS  43  55.137  -0.434   0.560
  320   1HG   LYS  43           HG2      LYS  43  55.326   2.201   2.019
  321   2HG   LYS  43           HG1      LYS  43  54.289   2.007   0.606
  322   1HD   LYS  43           HD2      LYS  43  54.169   0.171   3.010
  323   2HD   LYS  43           HD1      LYS  43  53.141   1.592   2.827
  324   1HE   LYS  43           HE2      LYS  43  52.120   0.697   0.830
  325   2HE   LYS  43           HE1      LYS  43  53.290  -0.637   0.769
  326   1HZ   LYS  43           HZ1      LYS  43  51.742  -0.200   3.228
  327   2HZ   LYS  43           HZ3      LYS  43  50.990  -0.981   1.923
  328   3HZ   LYS  43           HZ2      LYS  43  52.398  -1.640   2.611
  329    H    VAL  44           HN       VAL  44  59.038   0.292   1.017
  330    HA   VAL  44           HA       VAL  44  59.309  -2.378  -0.145
  331    HB   VAL  44           HB       VAL  44  60.950   0.132   0.124
  332   1HG1  VAL  44          HG13      VAL  44  61.989  -2.580  -0.182
  333   2HG1  VAL  44          HG12      VAL  44  62.403  -1.555  -1.556
  334   3HG1  VAL  44          HG11      VAL  44  62.862  -1.071   0.076
  335   1HG2  VAL  44          HG22      VAL  44  59.103  -0.443  -1.655
  336   2HG2  VAL  44          HG21      VAL  44  60.608   0.312  -2.182
  337   3HG2  VAL  44          HG23      VAL  44  60.374  -1.425  -2.383
  338    H    MET  45           HN       MET  45  60.668  -0.644   2.661
  339    HA   MET  45           HA       MET  45  62.438  -2.781   3.479
  340   1HB   MET  45           HB2      MET  45  61.206  -0.369   4.838
  341   2HB   MET  45           HB1      MET  45  62.401  -1.401   5.623
  342   1HG   MET  45           HG2      MET  45  63.670  -0.959   3.280
  343   2HG   MET  45           HG1      MET  45  62.746   0.539   3.399
  344   1HE   MET  45           HE1      MET  45  65.297  -1.728   4.442
  345   2HE   MET  45           HE3      MET  45  66.313  -0.349   4.004
  346   3HE   MET  45           HE2      MET  45  66.301  -0.949   5.661
  347    H    ARG  46           HN       ARG  46  59.048  -2.039   4.063
  348    HA   ARG  46           HA       ARG  46  58.781  -3.938   6.285
  349   1HB   ARG  46           HB2      ARG  46  56.756  -2.461   4.570
  350   2HB   ARG  46           HB1      ARG  46  56.409  -3.268   6.100
  351   1HG   ARG  46           HG2      ARG  46  58.443  -1.708   6.910
  352   2HG   ARG  46           HG1      ARG  46  57.835  -0.703   5.592
  353   1HD   ARG  46           HD2      ARG  46  55.481  -1.300   6.748
  354   2HD   ARG  46           HD1      ARG  46  56.528  -1.420   8.177
  355    HE   ARG  46           HE       ARG  46  57.439   0.889   7.166
  356   1HH1  ARG  46          HH21      ARG  46  54.663   0.072   8.763
  357   2HH1  ARG  46          HH22      ARG  46  53.742   1.460   8.286
  358   1HH2  ARG  46          HH11      ARG  46  56.067   2.529   5.947
  359   2HH2  ARG  46          HH12      ARG  46  54.536   2.850   6.692
  360    H    MET  47           HN       MET  47  58.719  -4.107   2.838
  361    HA   MET  47           HA       MET  47  56.946  -6.438   2.667
  362   1HB   MET  47           HB2      MET  47  58.405  -4.576   0.921
  363   2HB   MET  47           HB1      MET  47  58.363  -6.227   0.302
  364   1HG   MET  47           HG2      MET  47  55.786  -5.942   1.133
  365   2HG   MET  47           HG1      MET  47  56.156  -4.288   0.648
  366   1HE   MET  47           HE3      MET  47  56.811  -3.471  -1.376
  367   2HE   MET  47           HE2      MET  47  58.162  -4.496  -1.855
  368   3HE   MET  47           HE1      MET  47  56.812  -4.256  -2.962
  369    H    LEU  48           HN       LEU  48  60.319  -5.883   3.254
  370    HA   LEU  48           HA       LEU  48  61.038  -8.673   2.495
  371   1HB   LEU  48           HB2      LEU  48  62.453  -6.090   3.063
  372   2HB   LEU  48           HB1      LEU  48  63.345  -7.599   3.262
  373    HG   LEU  48           HG       LEU  48  61.784  -7.549   0.790
  374   1HD1  LEU  48          HD11      LEU  48  63.661  -5.305   1.440
  375   2HD1  LEU  48          HD13      LEU  48  63.660  -5.957  -0.199
  376   3HD1  LEU  48          HD12      LEU  48  62.180  -5.282   0.482
  377   1HD2  LEU  48          HD21      LEU  48  64.468  -8.310   1.800
  378   2HD2  LEU  48          HD23      LEU  48  63.393  -9.172   0.699
  379   3HD2  LEU  48          HD22      LEU  48  64.397  -7.853   0.098
  380    H    GLY  49           HN       GLY  49  60.286  -6.725   5.255
  381   1HA   GLY  49           HA2      GLY  49  59.759  -8.240   7.268
  382   2HA   GLY  49           HA1      GLY  49  61.417  -8.813   7.070
  383    H    GLN  50           HN       GLN  50  62.568  -6.259   6.401
  384    HA   GLN  50           HA       GLN  50  63.230  -5.249   8.970
  385   1HB   GLN  50           HB2      GLN  50  63.542  -4.492   6.118
  386   2HB   GLN  50           HB1      GLN  50  63.752  -3.180   7.279
  387   1HG   GLN  50           HG2      GLN  50  65.913  -4.046   7.184
  388   2HG   GLN  50           HG1      GLN  50  65.244  -4.943   8.549
  389   1HE2  GLN  50          HE22      GLN  50  66.390  -7.820   6.795
  390   2HE2  GLN  50          HE21      GLN  50  66.667  -6.794   8.118
  391    H    ASN  51           HN       ASN  51  62.200  -3.789  10.295
  392    HA   ASN  51           HA       ASN  51  59.975  -2.151   9.135
  393   1HB   ASN  51           HB2      ASN  51  60.057  -3.887  11.617
  394   2HB   ASN  51           HB1      ASN  51  58.803  -2.676  11.346
  395   1HD2  ASN  51          HD22      ASN  51  57.433  -4.488   8.492
  396   2HD2  ASN  51          HD21      ASN  51  57.804  -2.899   8.960
  397    HA   PRO  52           HA       PRO  52  62.996   0.239  11.797
  398   1HB   PRO  52           HB2      PRO  52  63.801   2.005   9.866
  399   2HB   PRO  52           HB1      PRO  52  64.609   0.450  10.149
  400   1HG   PRO  52           HG2      PRO  52  62.649   1.209   8.046
  401   2HG   PRO  52           HG1      PRO  52  64.070   0.160   7.940
  402   1HD   PRO  52           HD2      PRO  52  61.504  -0.767   8.123
  403   2HD   PRO  52           HD1      PRO  52  62.927  -1.677   8.675
  404    H    THR  53           HN       THR  53  62.870   2.752  12.080
  405    HA   THR  53           HA       THR  53  60.014   3.514  11.997
  406    HB   THR  53           HB       THR  53  61.157   5.530  13.266
  407    HG1  THR  53           HG1      THR  53  63.231   5.322  13.304
  408   1HG2  THR  53          HG22      THR  53  60.141   3.007  14.023
  409   2HG2  THR  53          HG21      THR  53  61.600   3.254  14.983
  410   3HG2  THR  53          HG23      THR  53  60.298   4.443  15.035
  411    HA   PRO  54           HA       PRO  54  60.401   6.265   8.597
  412   1HB   PRO  54           HB2      PRO  54  58.671   8.257   9.325
  413   2HB   PRO  54           HB1      PRO  54  58.127   6.653   8.795
  414   1HG   PRO  54           HG2      PRO  54  58.350   7.764  11.545
  415   2HG   PRO  54           HG1      PRO  54  57.122   6.692  10.855
  416   1HD   PRO  54           HD2      PRO  54  59.155   5.835  12.471
  417   2HD   PRO  54           HD1      PRO  54  58.349   4.809  11.263
  418    H    GLU  55           HN       GLU  55  60.227   8.138  11.658
  419    HA   GLU  55           HA       GLU  55  61.619  10.436  10.915
  420   1HB   GLU  55           HB2      GLU  55  60.793   9.084  13.271
  421   2HB   GLU  55           HB1      GLU  55  62.483   9.528  13.513
  422   1HG   GLU  55           HG2      GLU  55  61.781  11.852  12.593
  423   2HG   GLU  55           HG1      GLU  55  60.133  11.324  12.937
  424    H    GLU  56           HN       GLU  56  62.893   7.207  11.500
  425    HA   GLU  56           HA       GLU  56  65.687   7.990  11.658
  426   1HB   GLU  56           HB2      GLU  56  64.013   5.559  11.587
  427   2HB   GLU  56           HB1      GLU  56  65.619   5.351  10.887
  428   1HG   GLU  56           HG2      GLU  56  65.048   6.502  13.635
  429   2HG   GLU  56           HG1      GLU  56  65.621   4.864  13.316
  430    H    LEU  57           HN       LEU  57  63.620   6.638   9.066
  431    HA   LEU  57           HA       LEU  57  65.503   6.348   7.013
  432   1HB   LEU  57           HB2      LEU  57  62.602   6.974   7.261
  433   2HB   LEU  57           HB1      LEU  57  63.329   7.252   5.678
  434    HG   LEU  57           HG       LEU  57  64.377   4.863   6.075
  435   1HD1  LEU  57          HD12      LEU  57  63.515   4.702   8.405
  436   2HD1  LEU  57          HD11      LEU  57  61.867   4.768   7.778
  437   3HD1  LEU  57          HD13      LEU  57  62.907   3.401   7.379
  438   1HD2  LEU  57          HD22      LEU  57  61.458   5.332   5.378
  439   2HD2  LEU  57          HD21      LEU  57  62.821   5.414   4.262
  440   3HD2  LEU  57          HD23      LEU  57  62.367   3.871   4.984
  441    H    GLN  58           HN       GLN  58  63.646   9.306   7.828
  442    HA   GLN  58           HA       GLN  58  64.742  11.036   5.878
  443   1HB   GLN  58           HB2      GLN  58  63.502  11.253   8.587
  444   2HB   GLN  58           HB1      GLN  58  64.293  12.694   7.947
  445   1HG   GLN  58           HG2      GLN  58  62.532  11.241   6.052
  446   2HG   GLN  58           HG1      GLN  58  61.718  12.052   7.391
  447   1HE2  GLN  58          HE22      GLN  58  64.011  14.465   4.964
  448   2HE2  GLN  58          HE21      GLN  58  64.586  12.920   5.368
  449    H    GLU  59           HN       GLU  59  66.026  10.024   9.024
  450    HA   GLU  59           HA       GLU  59  68.230  11.901   9.083
  451   1HB   GLU  59           HB2      GLU  59  67.246  10.741  11.046
  452   2HB   GLU  59           HB1      GLU  59  67.820   9.200  10.411
  453   1HG   GLU  59           HG2      GLU  59  69.696   9.593  11.617
  454   2HG   GLU  59           HG1      GLU  59  70.102  10.756  10.354
  455    H    MET  60           HN       MET  60  67.646   8.972   7.350
  456    HA   MET  60           HA       MET  60  70.555   8.507   6.883
  457   1HB   MET  60           HB2      MET  60  67.996   6.981   6.674
  458   2HB   MET  60           HB1      MET  60  69.299   6.522   5.577
  459   1HG   MET  60           HG2      MET  60  70.499   5.573   7.241
  460   2HG   MET  60           HG1      MET  60  70.247   6.954   8.309
  461   1HE   MET  60           HE2      MET  60  69.456   3.509   7.285
  462   2HE   MET  60           HE1      MET  60  67.880   3.084   7.947
  463   3HE   MET  60           HE3      MET  60  67.995   4.163   6.550
  464    H    ILE  61           HN       ILE  61  67.583   9.493   5.251
  465    HA   ILE  61           HA       ILE  61  68.685   9.388   2.559
  466    HB   ILE  61           HB       ILE  61  66.270  10.647   3.882
  467   1HG1  ILE  61          HG12      ILE  61  66.162   8.538   1.769
  468   2HG1  ILE  61          HG11      ILE  61  66.729   8.057   3.368
  469   1HG2  ILE  61          HG23      ILE  61  66.952  11.998   1.909
  470   2HG2  ILE  61          HG22      ILE  61  66.925  10.537   0.921
  471   3HG2  ILE  61          HG21      ILE  61  65.432  11.148   1.631
  472   1HD1  ILE  61          HD13      ILE  61  64.260   9.736   3.200
  473   2HD1  ILE  61          HD12      ILE  61  64.135   8.031   2.767
  474   3HD1  ILE  61          HD11      ILE  61  64.693   8.494   4.374
  475    H    ASP  62           HN       ASP  62  67.979  12.050   4.855
  476    HA   ASP  62           HA       ASP  62  69.095  14.122   3.176
  477   1HB   ASP  62           HB2      ASP  62  67.679  13.829   5.612
  478   2HB   ASP  62           HB1      ASP  62  69.160  14.703   6.007
  479    H    GLU  63           HN       GLU  63  70.579  11.614   4.869
  480    HA   GLU  63           HA       GLU  63  73.077  13.195   5.338
  481   1HB   GLU  63           HB2      GLU  63  71.901  10.637   6.432
  482   2HB   GLU  63           HB1      GLU  63  73.604  11.032   6.669
  483   1HG   GLU  63           HG2      GLU  63  72.406  13.397   7.353
  484   2HG   GLU  63           HG1      GLU  63  71.206  12.229   7.907
  485    H    VAL  64           HN       VAL  64  71.668  10.611   3.462
  486    HA   VAL  64           HA       VAL  64  74.353   9.844   2.395
  487    HB   VAL  64           HB       VAL  64  72.583   8.220   3.359
  488   1HG1  VAL  64          HG12      VAL  64  71.356   8.822   0.651
  489   2HG1  VAL  64          HG11      VAL  64  70.863   7.508   1.720
  490   3HG1  VAL  64          HG13      VAL  64  70.634   9.185   2.219
  491   1HG2  VAL  64          HG21      VAL  64  74.543   7.938   1.439
  492   2HG2  VAL  64          HG23      VAL  64  73.662   6.605   2.182
  493   3HG2  VAL  64          HG22      VAL  64  73.129   7.259   0.633
  494    H    ASP  65           HN       ASP  65  71.135  10.984   1.426
  495    HA   ASP  65           HA       ASP  65  71.811  11.100  -1.421
  496   1HB   ASP  65           HB2      ASP  65  69.539  10.670  -0.651
  497   2HB   ASP  65           HB1      ASP  65  69.531  12.176   0.268
  498    H    GLU  66           HN       GLU  66  73.708  12.504  -1.403
  499    HA   GLU  66           HA       GLU  66  73.554  15.204  -0.291
  500   1HB   GLU  66           HB2      GLU  66  75.452  13.498  -1.841
  501   2HB   GLU  66           HB1      GLU  66  75.707  15.242  -1.875
  502   1HG   GLU  66           HG2      GLU  66  75.177  13.994   0.781
  503   2HG   GLU  66           HG1      GLU  66  76.757  13.704   0.053
  504    H    ASP  67           HN       ASP  67  71.359  14.981  -1.913
  505    HA   ASP  67           HA       ASP  67  71.909  16.991  -3.996
  506   1HB   ASP  67           HB2      ASP  67  72.450  14.917  -5.144
  507   2HB   ASP  67           HB1      ASP  67  70.954  14.169  -4.581
  508    H    GLY  68           HN       GLY  68  69.609  14.809  -2.403
  509   1HA   GLY  68           HA2      GLY  68  67.541  15.542  -1.413
  510   2HA   GLY  68           HA1      GLY  68  67.614  17.001  -2.403
  511    H    SER  69           HN       SER  69  68.304  14.100  -4.091
  512    HA   SER  69           HA       SER  69  66.123  14.409  -5.917
  513   1HB   SER  69           HB2      SER  69  67.828  11.987  -5.249
  514   2HB   SER  69           HB1      SER  69  66.919  12.223  -6.738
  515    HG   SER  69           HG       SER  69  69.147  13.669  -5.760
  516    H    GLY  70           HN       GLY  70  66.260  13.022  -2.770
  517   1HA   GLY  70           HA2      GLY  70  64.693  11.804  -1.518
  518   2HA   GLY  70           HA1      GLY  70  63.485  12.528  -2.581
  519    H    THR  71           HN       THR  71  66.079  10.475  -3.771
  520    HA   THR  71           HA       THR  71  64.213   8.173  -4.046
  521    HB   THR  71           HB       THR  71  64.777   8.139  -6.513
  522    HG1  THR  71           HG1      THR  71  65.651  10.782  -6.008
  523   1HG2  THR  71          HG22      THR  71  62.779   9.418  -5.234
  524   2HG2  THR  71          HG21      THR  71  63.535  10.795  -6.033
  525   3HG2  THR  71          HG23      THR  71  62.950   9.436  -6.990
  526    H    VAL  72           HN       VAL  72  65.339   6.274  -3.774
  527    HA   VAL  72           HA       VAL  72  68.325   6.426  -3.760
  528    HB   VAL  72           HB       VAL  72  67.897   4.147  -2.519
  529   1HG1  VAL  72          HG13      VAL  72  67.499   6.948  -1.543
  530   2HG1  VAL  72          HG12      VAL  72  67.258   5.609  -0.421
  531   3HG1  VAL  72          HG11      VAL  72  68.819   5.825  -1.215
  532   1HG2  VAL  72          HG22      VAL  72  65.420   4.241  -3.184
  533   2HG2  VAL  72          HG21      VAL  72  65.764   3.895  -1.489
  534   3HG2  VAL  72          HG23      VAL  72  65.254   5.513  -1.975
  535    H    ASP  73           HN       ASP  73  69.536   4.754  -4.787
  536    HA   ASP  73           HA       ASP  73  68.044   3.311  -6.950
  537   1HB   ASP  73           HB2      ASP  73  71.001   3.952  -6.817
  538   2HB   ASP  73           HB1      ASP  73  70.039   3.572  -8.245
  539    H    PHE  74           HN       PHE  74  69.810   1.354  -7.614
  540    HA   PHE  74           HA       PHE  74  69.547  -0.578  -5.513
  541   1HB   PHE  74           HB2      PHE  74  70.062  -0.567  -8.203
  542   2HB   PHE  74           HB1      PHE  74  71.655  -0.968  -7.560
  543    HD1  PHE  74           HD1      PHE  74  71.782  -2.854  -5.790
  544    HD2  PHE  74           HD2      PHE  74  68.397  -2.223  -8.358
  545    HE1  PHE  74           HE1      PHE  74  71.031  -5.180  -5.372
  546    HE2  PHE  74           HE2      PHE  74  67.646  -4.549  -7.940
  547    HZ   PHE  74           HZ       PHE  74  68.963  -6.028  -6.447
  548    H    ASP  75           HN       ASP  75  71.894   1.882  -6.103
  549    HA   ASP  75           HA       ASP  75  74.055   0.586  -4.582
  550   1HB   ASP  75           HB2      ASP  75  73.555   3.057  -6.152
  551   2HB   ASP  75           HB1      ASP  75  74.750   3.203  -4.862
  552    H    GLU  76           HN       GLU  76  71.947   3.453  -4.133
  553    HA   GLU  76           HA       GLU  76  72.776   3.937  -1.408
  554   1HB   GLU  76           HB2      GLU  76  70.288   4.711  -2.970
  555   2HB   GLU  76           HB1      GLU  76  70.809   5.459  -1.460
  556   1HG   GLU  76           HG2      GLU  76  72.730   5.318  -3.761
  557   2HG   GLU  76           HG1      GLU  76  71.476   6.558  -3.760
  558    H    PHE  77           HN       PHE  77  69.810   2.460  -2.794
  559    HA   PHE  77           HA       PHE  77  68.373   1.815  -0.523
  560   1HB   PHE  77           HB2      PHE  77  67.838   1.305  -2.921
  561   2HB   PHE  77           HB1      PHE  77  68.970  -0.046  -2.844
  562    HD1  PHE  77           HD1      PHE  77  66.589   1.187  -0.243
  563    HD2  PHE  77           HD2      PHE  77  67.612  -1.974  -2.967
  564    HE1  PHE  77           HE1      PHE  77  64.821  -0.241   0.750
  565    HE2  PHE  77           HE2      PHE  77  65.844  -3.402  -1.975
  566    HZ   PHE  77           HZ       PHE  77  64.448  -2.535  -0.116
  567    H    LEU  78           HN       LEU  78  70.607  -0.585  -1.969
  568    HA   LEU  78           HA       LEU  78  70.771  -2.404   0.113
  569   1HB   LEU  78           HB2      LEU  78  72.510  -1.439  -2.076
  570   2HB   LEU  78           HB1      LEU  78  73.355  -2.306  -0.794
  571    HG   LEU  78           HG       LEU  78  70.812  -3.523  -1.719
  572   1HD1  LEU  78          HD13      LEU  78  71.846  -2.741  -3.843
  573   2HD1  LEU  78          HD12      LEU  78  73.328  -3.594  -3.413
  574   3HD1  LEU  78          HD11      LEU  78  71.846  -4.500  -3.715
  575   1HD2  LEU  78          HD22      LEU  78  73.450  -4.299  -0.607
  576   2HD2  LEU  78          HD21      LEU  78  71.853  -4.973  -0.286
  577   3HD2  LEU  78          HD23      LEU  78  72.736  -5.449  -1.737
  578    H    VAL  79           HN       VAL  79  72.829   0.512  -0.247
  579    HA   VAL  79           HA       VAL  79  74.367   0.241   2.105
  580    HB   VAL  79           HB       VAL  79  73.287   2.591   0.539
  581   1HG1  VAL  79          HG11      VAL  79  74.735   2.545   3.129
  582   2HG1  VAL  79          HG13      VAL  79  75.377   3.648   1.911
  583   3HG1  VAL  79          HG12      VAL  79  73.701   3.797   2.439
  584   1HG2  VAL  79          HG22      VAL  79  75.894   1.083   0.726
  585   2HG2  VAL  79          HG21      VAL  79  74.916   1.413  -0.704
  586   3HG2  VAL  79          HG23      VAL  79  75.834   2.715   0.057
  587    H    MET  80           HN       MET  80  71.454   2.300   1.751
  588    HA   MET  80           HA       MET  80  71.036   3.009   4.407
  589   1HB   MET  80           HB2      MET  80  69.314   2.442   2.029
  590   2HB   MET  80           HB1      MET  80  68.509   2.701   3.577
  591   1HG   MET  80           HG2      MET  80  70.470   4.705   3.437
  592   2HG   MET  80           HG1      MET  80  69.761   4.645   1.823
  593   1HE   MET  80           HE2      MET  80  68.458   5.932   1.194
  594   2HE   MET  80           HE1      MET  80  66.811   6.243   1.737
  595   3HE   MET  80           HE3      MET  80  68.127   7.316   2.233
  596    H    MET  81           HN       MET  81  70.485  -0.124   2.896
  597    HA   MET  81           HA       MET  81  68.953  -1.223   5.131
  598   1HB   MET  81           HB2      MET  81  69.914  -1.974   2.465
  599   2HB   MET  81           HB1      MET  81  69.987  -3.312   3.613
  600   1HG   MET  81           HG2      MET  81  67.534  -1.581   3.199
  601   2HG   MET  81           HG1      MET  81  67.786  -3.133   2.400
  602   1HE   MET  81           HE2      MET  81  65.751  -3.677   3.025
  603   2HE   MET  81           HE1      MET  81  66.073  -5.194   3.860
  604   3HE   MET  81           HE3      MET  81  65.066  -3.957   4.624
  605    H    VAL  82           HN       VAL  82  72.020  -2.467   3.785
  606    HA   VAL  82           HA       VAL  82  72.919  -3.851   6.036
  607    HB   VAL  82           HB       VAL  82  75.189  -3.443   5.023
  608   1HG1  VAL  82          HG13      VAL  82  73.474  -5.120   4.146
  609   2HG1  VAL  82          HG12      VAL  82  73.086  -3.930   2.903
  610   3HG1  VAL  82          HG11      VAL  82  74.709  -4.613   2.993
  611   1HG2  VAL  82          HG21      VAL  82  73.756  -1.154   3.969
  612   2HG2  VAL  82          HG23      VAL  82  75.487  -1.487   3.937
  613   3HG2  VAL  82          HG22      VAL  82  74.446  -2.106   2.655
  614    H    ARG  83           HN       ARG  83  72.869  -0.391   5.498
  615    HA   ARG  83           HA       ARG  83  74.796   0.356   7.515
  616   1HB   ARG  83           HB2      ARG  83  74.084   1.815   5.678
  617   2HB   ARG  83           HB1      ARG  83  72.424   1.791   6.276
  618   1HG   ARG  83           HG2      ARG  83  72.896   3.529   7.622
  619   2HG   ARG  83           HG1      ARG  83  74.100   2.543   8.452
  620   1HD   ARG  83           HD2      ARG  83  75.693   3.137   6.518
  621   2HD   ARG  83           HD1      ARG  83  74.513   4.392   6.093
  622    HE   ARG  83           HE       ARG  83  74.958   5.483   8.192
  623   1HH1  ARG  83          HH11      ARG  83  76.188   2.294   8.230
  624   2HH1  ARG  83          HH12      ARG  83  77.474   2.646   9.335
  625   1HH2  ARG  83          HH21      ARG  83  76.819   6.049   9.430
  626   2HH2  ARG  83          HH22      ARG  83  77.832   4.772  10.015
  627    H    CYS  84           HN       CYS  84  71.322  -0.314   7.557
  628    HA   CYS  84           HA       CYS  84  70.954   0.641  10.303
  629   1HB   CYS  84           HB2      CYS  84  69.255   0.614   8.413
  630   2HB   CYS  84           HB1      CYS  84  69.186  -1.138   8.600
  631    HG   CYS  84           HG       CYS  84  67.355  -0.325  10.185
  632    H    MET  85           HN       MET  85  70.468  -2.605   8.853
  633    HA   MET  85           HA       MET  85  70.390  -4.118  11.201
  634   1HB   MET  85           HB2      MET  85  71.222  -5.954   9.705
  635   2HB   MET  85           HB1      MET  85  69.945  -4.988   8.962
  636   1HG   MET  85           HG2      MET  85  71.364  -4.042   7.425
  637   2HG   MET  85           HG1      MET  85  72.739  -4.060   8.529
  638   1HE   MET  85           HE3      MET  85  70.503  -5.498   6.231
  639   2HE   MET  85           HE2      MET  85  71.499  -6.566   5.245
  640   3HE   MET  85           HE1      MET  85  70.530  -7.236   6.554
  641    H    LYS  86           HN       LYS  86  73.153  -2.577   9.706
  642    HA   LYS  86           HA       LYS  86  75.461  -2.629  10.267
  643   1HB   LYS  86           HB2      LYS  86  73.845  -1.756  12.291
  644   2HB   LYS  86           HB1      LYS  86  74.721  -3.054  13.104
  645   1HG   LYS  86           HG2      LYS  86  76.122  -1.202  13.442
  646   2HG   LYS  86           HG1      LYS  86  76.838  -1.976  12.028
  647   1HD   LYS  86           HD2      LYS  86  76.618   0.007  10.975
  648   2HD   LYS  86           HD1      LYS  86  74.881  -0.298  10.962
  649   1HE   LYS  86           HE2      LYS  86  74.494   1.057  12.835
  650   2HE   LYS  86           HE1      LYS  86  76.167   0.906  13.409
  651   1HZ   LYS  86           HZ3      LYS  86  76.603   1.933  11.019
  652   2HZ   LYS  86           HZ2      LYS  86  75.072   2.611  11.307
  653   3HZ   LYS  86           HZ1      LYS  86  76.352   2.907  12.384
  654    H    ASP  87           HN       ASP  87  76.508  -3.982  12.673
  655    HA   ASP  87           HA       ASP  87  76.157  -6.851  11.868
  656   1HB   ASP  87           HB2      ASP  87  78.268  -5.455  11.132
  657   2HB   ASP  87           HB1      ASP  87  78.775  -5.704  12.803
  658    H    ASP  88           HN       ASP  88  74.762  -5.656  14.032
  659    HA   ASP  88           HA       ASP  88  76.130  -6.954  16.365
  660   1HB   ASP  88           HB2      ASP  88  76.057  -4.333  16.120
  661   2HB   ASP  88           HB1      ASP  88  74.379  -4.523  16.628
  662    H    SER  89           HN       SER  89  74.719  -8.083  17.767
  663    HA   SER  89           HA       SER  89  72.728  -9.167  18.446
  664   1HB   SER  89           HB2      SER  89  72.117  -6.511  17.724
  665   2HB   SER  89           HB1      SER  89  70.879  -7.501  16.957
  666    HG   SER  89           HG       SER  89  71.671  -7.756  19.671
   
  No H/Q in entry =         666
  Start of MODEL   37
    1   1H    MET   1           HT2      MET   1  91.472   8.035  -0.374
    2   2H    MET   1           HT1      MET   1  91.175   9.364  -1.390
    3   3H    MET   1           HT3      MET   1  91.573   9.616   0.240
    4    HA   MET   1           HA       MET   1  89.485   9.221   0.970
    5   1HB   MET   1           HB2      MET   1  87.903  10.047  -0.718
    6   2HB   MET   1           HB1      MET   1  89.423  10.933  -0.844
    7   1HG   MET   1           HG2      MET   1  89.453  10.358  -3.025
    8   2HG   MET   1           HG1      MET   1  89.785   8.709  -2.496
    9   1HE   MET   1           HE3      MET   1  87.729  11.161  -4.078
   10   2HE   MET   1           HE2      MET   1  87.942   9.863  -5.250
   11   3HE   MET   1           HE1      MET   1  86.320  10.299  -4.716
   12    H    ASP   2           HN       ASP   2  89.154   7.065   1.603
   13    HA   ASP   2           HA       ASP   2  88.277   5.150  -0.534
   14   1HB   ASP   2           HB2      ASP   2  89.815   4.940   2.035
   15   2HB   ASP   2           HB1      ASP   2  88.902   3.537   1.476
   16    H    ASP   3           HN       ASP   3  86.270   4.144  -0.269
   17    HA   ASP   3           HA       ASP   3  84.515   5.240   1.864
   18   1HB   ASP   3           HB2      ASP   3  82.745   4.278   0.424
   19   2HB   ASP   3           HB1      ASP   3  83.841   5.289  -0.518
   20    H    ILE   4           HN       ILE   4  83.032   3.666   2.975
   21    HA   ILE   4           HA       ILE   4  84.458   1.092   3.550
   22    HB   ILE   4           HB       ILE   4  83.585   1.322   5.771
   23   1HG1  ILE   4          HG12      ILE   4  82.091   3.689   5.808
   24   2HG1  ILE   4          HG11      ILE   4  81.525   2.837   4.371
   25   1HG2  ILE   4          HG23      ILE   4  84.316   4.072   4.717
   26   2HG2  ILE   4          HG22      ILE   4  84.337   3.595   6.415
   27   3HG2  ILE   4          HG21      ILE   4  85.452   2.843   5.274
   28   1HD1  ILE   4          HD12      ILE   4  81.768   0.856   6.348
   29   2HD1  ILE   4          HD11      ILE   4  81.030   2.233   7.164
   30   3HD1  ILE   4          HD13      ILE   4  80.270   1.549   5.728
   31    H    TYR   5           HN       TYR   5  81.530   2.495   2.346
   32    HA   TYR   5           HA       TYR   5  79.741   0.292   2.924
   33   1HB   TYR   5           HB2      TYR   5  79.725   2.512   0.853
   34   2HB   TYR   5           HB1      TYR   5  78.341   1.480   1.222
   35    HD1  TYR   5           HD1      TYR   5  77.375   1.484   3.551
   36    HD2  TYR   5           HD2      TYR   5  80.312   4.343   2.267
   37    HE1  TYR   5           HE1      TYR   5  76.789   2.946   5.466
   38    HE2  TYR   5           HE2      TYR   5  79.725   5.806   4.181
   39    HH   TYR   5           HH       TYR   5  77.161   4.875   6.484
   40    H    LYS   6           HN       LYS   6  82.049   0.988   0.355
   41    HA   LYS   6           HA       LYS   6  81.234  -0.610  -1.762
   42   1HB   LYS   6           HB2      LYS   6  83.416   0.763  -1.239
   43   2HB   LYS   6           HB1      LYS   6  84.041  -0.792  -0.689
   44   1HG   LYS   6           HG2      LYS   6  84.650  -0.719  -2.970
   45   2HG   LYS   6           HG1      LYS   6  83.193  -1.710  -2.955
   46   1HD   LYS   6           HD2      LYS   6  81.830   0.215  -3.591
   47   2HD   LYS   6           HD1      LYS   6  83.242   1.270  -3.514
   48   1HE   LYS   6           HE2      LYS   6  84.297   0.094  -5.365
   49   2HE   LYS   6           HE1      LYS   6  82.997  -1.113  -5.384
   50   1HZ   LYS   6           HZ1      LYS   6  82.367   1.762  -5.565
   51   2HZ   LYS   6           HZ3      LYS   6  82.821   0.907  -6.958
   52   3HZ   LYS   6           HZ2      LYS   6  81.444   0.431  -6.083
   53    H    ALA   7           HN       ALA   7  82.346  -1.644   1.408
   54    HA   ALA   7           HA       ALA   7  82.696  -4.451   0.689
   55   1HB   ALA   7           HB3      ALA   7  83.300  -2.698   2.808
   56   2HB   ALA   7           HB2      ALA   7  82.196  -3.890   3.496
   57   3HB   ALA   7           HB1      ALA   7  83.691  -4.416   2.721
   58    H    ALA   8           HN       ALA   8  80.062  -2.428   1.859
   59    HA   ALA   8           HA       ALA   8  78.272  -4.247   2.981
   60   1HB   ALA   8           HB1      ALA   8  77.849  -1.946   1.049
   61   2HB   ALA   8           HB3      ALA   8  76.535  -2.715   1.940
   62   3HB   ALA   8           HB2      ALA   8  77.819  -1.878   2.811
   63    H    VAL   9           HN       VAL   9  78.860  -3.657  -0.493
   64    HA   VAL   9           HA       VAL   9  76.911  -5.686  -1.320
   65    HB   VAL   9           HB       VAL   9  78.995  -3.961  -2.680
   66   1HG1  VAL   9          HG13      VAL   9  78.692  -6.198  -3.829
   67   2HG1  VAL   9          HG12      VAL   9  76.994  -5.777  -4.051
   68   3HG1  VAL   9          HG11      VAL   9  78.251  -4.801  -4.812
   69   1HG2  VAL   9          HG23      VAL   9  76.767  -3.048  -1.761
   70   2HG2  VAL   9          HG22      VAL   9  77.130  -2.704  -3.451
   71   3HG2  VAL   9          HG21      VAL   9  75.993  -3.987  -3.037
   72    H    GLU  10           HN       GLU  10  80.420  -5.470  -0.887
   73    HA   GLU  10           HA       GLU  10  81.297  -7.762  -2.257
   74   1HB   GLU  10           HB2      GLU  10  82.685  -6.050  -1.097
   75   2HB   GLU  10           HB1      GLU  10  82.167  -6.710   0.455
   76   1HG   GLU  10           HG2      GLU  10  83.821  -8.226   0.338
   77   2HG   GLU  10           HG1      GLU  10  83.078  -8.896  -1.114
   78    H    GLN  11           HN       GLN  11  79.615  -7.507   0.843
   79    HA   GLN  11           HA       GLN  11  79.973 -10.350   1.491
   80   1HB   GLN  11           HB2      GLN  11  79.076  -7.878   2.721
   81   2HB   GLN  11           HB1      GLN  11  77.936  -9.184   3.051
   82   1HG   GLN  11           HG2      GLN  11  79.414  -9.608   4.758
   83   2HG   GLN  11           HG1      GLN  11  80.233 -10.516   3.486
   84   1HE2  GLN  11          HE22      GLN  11  82.316  -7.670   5.216
   85   2HE2  GLN  11          HE21      GLN  11  81.053  -8.561   5.917
   86    H    LEU  12           HN       LEU  12  77.370  -8.241   0.276
   87    HA   LEU  12           HA       LEU  12  75.257 -10.159   0.295
   88   1HB   LEU  12           HB2      LEU  12  75.874  -7.777  -1.482
   89   2HB   LEU  12           HB1      LEU  12  74.310  -8.589  -1.432
   90    HG   LEU  12           HG       LEU  12  75.650  -7.442   1.028
   91   1HD1  LEU  12          HD11      LEU  12  75.080  -5.736  -0.799
   92   2HD1  LEU  12          HD13      LEU  12  73.393  -6.174  -0.534
   93   3HD1  LEU  12          HD12      LEU  12  74.336  -5.468   0.777
   94   1HD2  LEU  12          HD22      LEU  12  73.205  -8.952   0.439
   95   2HD2  LEU  12          HD21      LEU  12  74.007  -8.678   1.986
   96   3HD2  LEU  12          HD23      LEU  12  72.894  -7.469   1.342
   97    H    THR  13           HN       THR  13  74.691 -11.761  -1.186
   98    HA   THR  13           HA       THR  13  76.664 -12.307  -3.369
   99    HB   THR  13           HB       THR  13  75.626 -14.618  -3.177
  100    HG1  THR  13           HG1      THR  13  73.675 -14.106  -2.267
  101   1HG2  THR  13          HG23      THR  13  77.641 -13.547  -1.792
  102   2HG2  THR  13          HG22      THR  13  76.540 -13.839  -0.446
  103   3HG2  THR  13          HG21      THR  13  77.062 -15.180  -1.464
  104    H    GLU  14           HN       GLU  14  75.317 -13.794  -5.116
  105    HA   GLU  14           HA       GLU  14  73.726 -12.013  -6.645
  106   1HB   GLU  14           HB2      GLU  14  74.965 -14.141  -7.313
  107   2HB   GLU  14           HB1      GLU  14  73.595 -15.040  -6.658
  108   1HG   GLU  14           HG2      GLU  14  72.776 -14.838  -8.777
  109   2HG   GLU  14           HG1      GLU  14  72.296 -13.233  -8.225
  110    H    GLU  15           HN       GLU  15  72.719 -14.674  -4.475
  111    HA   GLU  15           HA       GLU  15  69.898 -14.388  -4.881
  112   1HB   GLU  15           HB2      GLU  15  71.501 -15.362  -2.491
  113   2HB   GLU  15           HB1      GLU  15  69.800 -15.718  -2.792
  114   1HG   GLU  15           HG2      GLU  15  70.453 -17.501  -3.999
  115   2HG   GLU  15           HG1      GLU  15  71.144 -16.384  -5.177
  116    H    GLN  16           HN       GLN  16  72.143 -12.868  -2.573
  117    HA   GLN  16           HA       GLN  16  70.091 -11.510  -1.041
  118   1HB   GLN  16           HB2      GLN  16  73.043 -10.912  -1.435
  119   2HB   GLN  16           HB1      GLN  16  72.041 -10.343  -0.099
  120   1HG   GLN  16           HG2      GLN  16  72.291 -13.288  -0.689
  121   2HG   GLN  16           HG1      GLN  16  73.505 -12.457   0.284
  122   1HE2  GLN  16          HE22      GLN  16  71.493 -12.802   3.145
  123   2HE2  GLN  16          HE21      GLN  16  73.043 -12.861   2.454
  124    H    LYS  17           HN       LYS  17  71.991 -10.708  -3.915
  125    HA   LYS  17           HA       LYS  17  71.095  -7.907  -3.952
  126   1HB   LYS  17           HB2      LYS  17  73.032  -9.652  -5.247
  127   2HB   LYS  17           HB1      LYS  17  72.194  -8.646  -6.429
  128   1HG   LYS  17           HG2      LYS  17  72.779  -6.988  -4.196
  129   2HG   LYS  17           HG1      LYS  17  74.252  -7.883  -4.577
  130   1HD   LYS  17           HD2      LYS  17  72.640  -6.570  -6.760
  131   2HD   LYS  17           HD1      LYS  17  73.824  -5.648  -5.833
  132   1HE   LYS  17           HE2      LYS  17  74.969  -8.184  -6.652
  133   2HE   LYS  17           HE1      LYS  17  74.363  -7.288  -8.060
  134   1HZ   LYS  17           HZ1      LYS  17  76.010  -6.092  -5.896
  135   2HZ   LYS  17           HZ3      LYS  17  76.633  -6.612  -7.385
  136   3HZ   LYS  17           HZ2      LYS  17  75.514  -5.335  -7.333
  137    H    ASN  18           HN       ASN  18  70.214 -10.968  -5.479
  138    HA   ASN  18           HA       ASN  18  68.456  -9.789  -7.479
  139   1HB   ASN  18           HB2      ASN  18  69.392 -11.906  -7.965
  140   2HB   ASN  18           HB1      ASN  18  69.033 -12.531  -6.356
  141   1HD2  ASN  18          HD22      ASN  18  66.097 -14.008  -7.599
  142   2HD2  ASN  18          HD21      ASN  18  67.503 -14.165  -6.664
  143    H    GLU  19           HN       GLU  19  68.005 -11.278  -4.270
  144    HA   GLU  19           HA       GLU  19  65.168 -11.349  -4.230
  145   1HB   GLU  19           HB2      GLU  19  65.474 -11.613  -1.862
  146   2HB   GLU  19           HB1      GLU  19  66.891 -12.337  -2.623
  147   1HG   GLU  19           HG2      GLU  19  68.029 -11.018  -1.147
  148   2HG   GLU  19           HG1      GLU  19  67.744  -9.770  -2.360
  149    H    PHE  20           HN       PHE  20  67.401  -8.664  -3.814
  150    HA   PHE  20           HA       PHE  20  65.395  -6.862  -2.666
  151   1HB   PHE  20           HB2      PHE  20  68.252  -6.942  -3.289
  152   2HB   PHE  20           HB1      PHE  20  67.533  -5.373  -3.656
  153    HD1  PHE  20           HD1      PHE  20  65.510  -4.918  -1.711
  154    HD2  PHE  20           HD2      PHE  20  69.285  -6.904  -1.199
  155    HE1  PHE  20           HE1      PHE  20  65.470  -4.371   0.708
  156    HE2  PHE  20           HE2      PHE  20  69.245  -6.356   1.219
  157    HZ   PHE  20           HZ       PHE  20  67.338  -5.090   2.172
  158    H    LYS  21           HN       LYS  21  66.882  -7.375  -5.867
  159    HA   LYS  21           HA       LYS  21  65.773  -5.140  -7.222
  160   1HB   LYS  21           HB2      LYS  21  67.503  -6.514  -8.187
  161   2HB   LYS  21           HB1      LYS  21  66.492  -7.956  -8.080
  162   1HG   LYS  21           HG2      LYS  21  65.152  -5.834  -9.549
  163   2HG   LYS  21           HG1      LYS  21  66.705  -6.241 -10.281
  164   1HD   LYS  21           HD2      LYS  21  66.019  -8.329 -10.891
  165   2HD   LYS  21           HD1      LYS  21  65.077  -8.556  -9.417
  166   1HE   LYS  21           HE2      LYS  21  63.161  -7.833 -10.412
  167   2HE   LYS  21           HE1      LYS  21  63.987  -6.467 -11.188
  168   1HZ   LYS  21           HZ3      LYS  21  65.109  -8.311 -12.575
  169   2HZ   LYS  21           HZ2      LYS  21  63.790  -9.268 -12.092
  170   3HZ   LYS  21           HZ1      LYS  21  63.530  -7.839 -12.975
  171    H    ALA  22           HN       ALA  22  64.428  -8.403  -6.687
  172    HA   ALA  22           HA       ALA  22  62.046  -8.056  -8.240
  173   1HB   ALA  22           HB1      ALA  22  63.051  -9.832  -6.050
  174   2HB   ALA  22           HB3      ALA  22  61.330  -9.886  -6.429
  175   3HB   ALA  22           HB2      ALA  22  62.519 -10.256  -7.678
  176    H    ALA  23           HN       ALA  23  62.932  -6.996  -5.015
  177    HA   ALA  23           HA       ALA  23  60.107  -6.210  -4.443
  178   1HB   ALA  23           HB1      ALA  23  62.611  -6.732  -2.872
  179   2HB   ALA  23           HB3      ALA  23  61.363  -5.704  -2.167
  180   3HB   ALA  23           HB2      ALA  23  60.986  -7.367  -2.617
  181    H    PHE  24           HN       PHE  24  62.958  -4.899  -5.707
  182    HA   PHE  24           HA       PHE  24  62.313  -2.153  -4.700
  183   1HB   PHE  24           HB2      PHE  24  64.568  -2.839  -4.251
  184   2HB   PHE  24           HB1      PHE  24  64.769  -3.471  -5.884
  185    HD1  PHE  24           HD1      PHE  24  64.958  -1.932  -7.819
  186    HD2  PHE  24           HD2      PHE  24  64.762  -0.477  -3.781
  187    HE1  PHE  24           HE1      PHE  24  65.780   0.282  -8.575
  188    HE2  PHE  24           HE2      PHE  24  65.584   1.737  -4.538
  189    HZ   PHE  24           HZ       PHE  24  66.093   2.116  -6.936
  190    H    ASP  25           HN       ASP  25  63.061  -3.982  -7.680
  191    HA   ASP  25           HA       ASP  25  62.725  -1.808  -9.512
  192   1HB   ASP  25           HB2      ASP  25  63.653  -4.281  -9.697
  193   2HB   ASP  25           HB1      ASP  25  61.993  -4.642 -10.177
  194    H    ILE  26           HN       ILE  26  60.430  -3.495  -7.602
  195    HA   ILE  26           HA       ILE  26  58.148  -3.279  -9.394
  196    HB   ILE  26           HB       ILE  26  58.517  -3.726  -6.423
  197   1HG1  ILE  26          HG12      ILE  26  58.003  -5.503  -8.820
  198   2HG1  ILE  26          HG11      ILE  26  59.375  -5.555  -7.712
  199   1HG2  ILE  26          HG21      ILE  26  56.292  -2.739  -6.892
  200   2HG2  ILE  26          HG23      ILE  26  56.002  -3.988  -8.103
  201   3HG2  ILE  26          HG22      ILE  26  56.155  -4.428  -6.402
  202   1HD1  ILE  26          HD13      ILE  26  57.702  -6.067  -5.864
  203   2HD1  ILE  26          HD12      ILE  26  56.505  -6.304  -7.136
  204   3HD1  ILE  26          HD11      ILE  26  57.927  -7.343  -7.060
  205    H    PHE  27           HN       PHE  27  59.836  -1.053  -7.373
  206    HA   PHE  27           HA       PHE  27  57.541   0.869  -7.587
  207   1HB   PHE  27           HB2      PHE  27  59.608   0.681  -5.376
  208   2HB   PHE  27           HB1      PHE  27  58.143   1.663  -5.381
  209    HD1  PHE  27           HD1      PHE  27  55.921   0.232  -5.952
  210    HD2  PHE  27           HD2      PHE  27  59.519  -1.326  -4.199
  211    HE1  PHE  27           HE1      PHE  27  54.639  -1.672  -5.011
  212    HE2  PHE  27           HE2      PHE  27  58.237  -3.229  -3.259
  213    HZ   PHE  27           HZ       PHE  27  55.797  -3.401  -3.665
  214    H    VAL  28           HN       VAL  28  59.725   0.559  -9.499
  215    HA   VAL  28           HA       VAL  28  61.429   2.955  -8.964
  216    HB   VAL  28           HB       VAL  28  61.564   0.741 -11.039
  217   1HG1  VAL  28          HG11      VAL  28  62.810   3.299 -10.950
  218   2HG1  VAL  28          HG13      VAL  28  64.047   2.100 -10.570
  219   3HG1  VAL  28          HG12      VAL  28  63.131   1.978 -12.072
  220   1HG2  VAL  28          HG21      VAL  28  63.041   1.221  -8.435
  221   2HG2  VAL  28          HG23      VAL  28  62.004  -0.148  -8.835
  222   3HG2  VAL  28          HG22      VAL  28  63.557   0.048  -9.647
  223    H    LEU  29           HN       LEU  29  58.508   2.934  -9.870
  224    HA   LEU  29           HA       LEU  29  58.066   3.504 -12.548
  225   1HB   LEU  29           HB2      LEU  29  56.347   5.127 -11.625
  226   2HB   LEU  29           HB1      LEU  29  56.312   3.524 -10.888
  227    HG   LEU  29           HG       LEU  29  58.199   5.200  -9.488
  228   1HD1  LEU  29          HD12      LEU  29  56.713   7.019 -10.375
  229   2HD1  LEU  29          HD11      LEU  29  55.351   6.239  -9.573
  230   3HD1  LEU  29          HD13      LEU  29  56.682   6.887  -8.617
  231   1HD2  LEU  29          HD23      LEU  29  57.094   3.157  -8.620
  232   2HD2  LEU  29          HD22      LEU  29  56.795   4.544  -7.573
  233   3HD2  LEU  29          HD21      LEU  29  55.538   3.986  -8.675
  234    H    GLY  30           HN       GLY  30  59.811   4.545 -13.615
  235   1HA   GLY  30           HA2      GLY  30  60.979   6.412 -14.428
  236   2HA   GLY  30           HA1      GLY  30  59.832   7.417 -13.542
  237    H    ALA  31           HN       ALA  31  60.651   8.544 -11.847
  238    HA   ALA  31           HA       ALA  31  62.158   9.221 -10.155
  239   1HB   ALA  31           HB1      ALA  31  61.532   6.547  -9.843
  240   2HB   ALA  31           HB3      ALA  31  63.296   6.524  -9.844
  241   3HB   ALA  31           HB2      ALA  31  62.428   7.514  -8.671
  242    H    GLU  32           HN       GLU  32  63.240  10.034 -12.367
  243    HA   GLU  32           HA       GLU  32  65.318  10.554 -13.373
  244   1HB   GLU  32           HB2      GLU  32  65.795   9.696 -10.736
  245   2HB   GLU  32           HB1      GLU  32  66.962   8.816 -11.724
  246   1HG   GLU  32           HG2      GLU  32  67.798  10.871 -12.685
  247   2HG   GLU  32           HG1      GLU  32  66.519  11.808 -11.911
  248    H    ASP  33           HN       ASP  33  65.829   7.198 -12.227
  249    HA   ASP  33           HA       ASP  33  65.292   5.850 -14.661
  250   1HB   ASP  33           HB2      ASP  33  67.587   7.560 -14.704
  251   2HB   ASP  33           HB1      ASP  33  68.147   5.890 -14.807
  252    H    GLY  34           HN       GLY  34  64.734   4.152 -13.222
  253   1HA   GLY  34           HA2      GLY  34  65.214   2.113 -12.137
  254   2HA   GLY  34           HA1      GLY  34  66.931   2.437 -12.384
  255    H    CYS  35           HN       CYS  35  64.607   4.555 -10.748
  256    HA   CYS  35           HA       CYS  35  65.974   3.979  -8.148
  257   1HB   CYS  35           HB2      CYS  35  65.335   6.730  -9.255
  258   2HB   CYS  35           HB1      CYS  35  66.265   6.360  -7.803
  259    HG   CYS  35           HG       CYS  35  68.225   5.567  -9.241
  260    H    ILE  36           HN       ILE  36  64.663   4.937  -6.289
  261    HA   ILE  36           HA       ILE  36  61.739   5.021  -6.967
  262    HB   ILE  36           HB       ILE  36  61.361   3.673  -4.981
  263   1HG1  ILE  36          HG12      ILE  36  64.359   3.657  -4.547
  264   2HG1  ILE  36          HG11      ILE  36  63.285   4.782  -3.715
  265   1HG2  ILE  36          HG23      ILE  36  62.199   2.606  -7.170
  266   2HG2  ILE  36          HG22      ILE  36  63.752   2.434  -6.351
  267   3HG2  ILE  36          HG21      ILE  36  62.321   1.626  -5.709
  268   1HD1  ILE  36          HD12      ILE  36  62.842   1.791  -3.675
  269   2HD1  ILE  36          HD11      ILE  36  63.816   2.620  -2.461
  270   3HD1  ILE  36          HD13      ILE  36  62.104   3.009  -2.634
  271    H    SER  37           HN       SER  37  60.460   6.093  -5.152
  272    HA   SER  37           HA       SER  37  61.741   8.627  -4.421
  273   1HB   SER  37           HB2      SER  37  59.381   8.352  -5.215
  274   2HB   SER  37           HB1      SER  37  59.020   7.463  -3.738
  275    HG   SER  37           HG       SER  37  58.491   9.634  -3.469
  276    H    THR  38           HN       THR  38  61.561   9.417  -2.102
  277    HA   THR  38           HA       THR  38  62.780   7.498  -0.288
  278    HB   THR  38           HB       THR  38  62.570   9.508   1.267
  279    HG1  THR  38           HG1      THR  38  61.502  11.211   0.590
  280   1HG2  THR  38          HG22      THR  38  63.795   9.773  -1.483
  281   2HG2  THR  38          HG21      THR  38  64.074  10.947  -0.196
  282   3HG2  THR  38          HG23      THR  38  64.590   9.272   0.010
  283    H    LYS  39           HN       LYS  39  59.529   8.757  -0.790
  284    HA   LYS  39           HA       LYS  39  58.498   7.722   1.758
  285   1HB   LYS  39           HB2      LYS  39  57.168   8.799  -0.752
  286   2HB   LYS  39           HB1      LYS  39  56.355   8.528   0.791
  287   1HG   LYS  39           HG2      LYS  39  58.783  10.099   1.128
  288   2HG   LYS  39           HG1      LYS  39  57.663  10.870   0.003
  289   1HD   LYS  39           HD2      LYS  39  56.263  11.436   1.674
  290   2HD   LYS  39           HD1      LYS  39  56.241   9.782   2.287
  291   1HE   LYS  39           HE2      LYS  39  57.157  11.266   4.014
  292   2HE   LYS  39           HE1      LYS  39  58.463  10.236   3.396
  293   1HZ   LYS  39           HZ2      LYS  39  57.892  12.752   2.006
  294   2HZ   LYS  39           HZ1      LYS  39  58.738  12.832   3.478
  295   3HZ   LYS  39           HZ3      LYS  39  59.368  11.930   2.188
  296    H    GLU  40           HN       GLU  40  59.327   6.318  -1.197
  297    HA   GLU  40           HA       GLU  40  57.184   4.252  -1.076
  298   1HB   GLU  40           HB2      GLU  40  59.267   5.154  -3.060
  299   2HB   GLU  40           HB1      GLU  40  58.465   3.595  -3.258
  300   1HG   GLU  40           HG2      GLU  40  56.259   4.910  -2.961
  301   2HG   GLU  40           HG1      GLU  40  57.232   6.349  -3.266
  302    H    LEU  41           HN       LEU  41  60.734   4.588  -0.912
  303    HA   LEU  41           HA       LEU  41  61.421   1.840  -0.727
  304   1HB   LEU  41           HB2      LEU  41  63.479   2.719   0.281
  305   2HB   LEU  41           HB1      LEU  41  62.957   3.789  -1.020
  306    HG   LEU  41           HG       LEU  41  61.690   5.071   0.865
  307   1HD1  LEU  41          HD13      LEU  41  63.072   3.008   2.344
  308   2HD1  LEU  41          HD12      LEU  41  63.643   4.598   2.851
  309   3HD1  LEU  41          HD11      LEU  41  61.924   4.210   2.934
  310   1HD2  LEU  41          HD23      LEU  41  63.815   5.729  -0.444
  311   2HD2  LEU  41          HD22      LEU  41  63.553   6.524   1.108
  312   3HD2  LEU  41          HD21      LEU  41  64.707   5.198   0.982
  313    H    GLY  42           HN       GLY  42  59.750   3.871   1.516
  314   1HA   GLY  42           HA2      GLY  42  60.473   2.642   3.985
  315   2HA   GLY  42           HA1      GLY  42  58.944   3.468   3.682
  316    H    LYS  43           HN       LYS  43  57.370   2.124   2.268
  317    HA   LYS  43           HA       LYS  43  56.602  -0.231   3.586
  318   1HB   LYS  43           HB2      LYS  43  55.097  -0.489   1.735
  319   2HB   LYS  43           HB1      LYS  43  55.368   1.246   1.898
  320   1HG   LYS  43           HG2      LYS  43  57.280   0.916   0.193
  321   2HG   LYS  43           HG1      LYS  43  56.532  -0.645  -0.143
  322   1HD   LYS  43           HD2      LYS  43  55.066   2.006  -0.266
  323   2HD   LYS  43           HD1      LYS  43  55.736   1.176  -1.671
  324   1HE   LYS  43           HE2      LYS  43  53.897  -0.137  -1.793
  325   2HE   LYS  43           HE1      LYS  43  54.158  -0.686  -0.126
  326   1HZ   LYS  43           HZ3      LYS  43  53.318   1.709   0.418
  327   2HZ   LYS  43           HZ2      LYS  43  52.577   1.588  -1.105
  328   3HZ   LYS  43           HZ1      LYS  43  52.206   0.465   0.115
  329    H    VAL  44           HN       VAL  44  58.893   0.181   0.920
  330    HA   VAL  44           HA       VAL  44  59.147  -2.548   0.130
  331    HB   VAL  44           HB       VAL  44  60.870  -0.075   0.077
  332   1HG1  VAL  44          HG13      VAL  44  61.624  -2.840  -0.913
  333   2HG1  VAL  44          HG12      VAL  44  62.464  -1.357  -1.369
  334   3HG1  VAL  44          HG11      VAL  44  62.469  -1.891   0.311
  335   1HG2  VAL  44          HG23      VAL  44  58.855  -0.504  -1.452
  336   2HG2  VAL  44          HG22      VAL  44  60.372  -0.104  -2.256
  337   3HG2  VAL  44          HG21      VAL  44  59.823  -1.779  -2.192
  338    H    MET  45           HN       MET  45  60.706  -0.676   2.721
  339    HA   MET  45           HA       MET  45  62.577  -2.747   3.494
  340   1HB   MET  45           HB2      MET  45  61.428  -0.253   4.762
  341   2HB   MET  45           HB1      MET  45  62.612  -1.258   5.600
  342   1HG   MET  45           HG2      MET  45  64.113  -1.023   3.585
  343   2HG   MET  45           HG1      MET  45  62.968   0.155   2.943
  344   1HE   MET  45           HE1      MET  45  65.984  -0.372   4.224
  345   2HE   MET  45           HE3      MET  45  66.484   0.937   5.302
  346   3HE   MET  45           HE2      MET  45  65.661  -0.477   5.952
  347    H    ARG  46           HN       ARG  46  59.198  -2.207   4.070
  348    HA   ARG  46           HA       ARG  46  59.052  -3.809   6.523
  349   1HB   ARG  46           HB2      ARG  46  56.942  -2.799   4.586
  350   2HB   ARG  46           HB1      ARG  46  56.632  -3.417   6.209
  351   1HG   ARG  46           HG2      ARG  46  58.681  -1.337   6.204
  352   2HG   ARG  46           HG1      ARG  46  57.148  -0.761   5.547
  353   1HD   ARG  46           HD2      ARG  46  56.281  -2.189   7.723
  354   2HD   ARG  46           HD1      ARG  46  57.819  -1.533   8.317
  355    HE   ARG  46           HE       ARG  46  56.055   0.353   6.871
  356   1HH1  ARG  46          HH11      ARG  46  57.554   2.070   8.191
  357   2HH1  ARG  46          HH12      ARG  46  57.020   2.165   9.835
  358   1HH2  ARG  46          HH21      ARG  46  55.241  -0.810   9.707
  359   2HH2  ARG  46          HH22      ARG  46  55.710   0.534  10.695
  360    H    MET  47           HN       MET  47  58.710  -4.330   3.060
  361    HA   MET  47           HA       MET  47  57.320  -6.840   3.142
  362   1HB   MET  47           HB2      MET  47  58.951  -5.224   1.252
  363   2HB   MET  47           HB1      MET  47  58.792  -6.939   0.868
  364   1HG   MET  47           HG2      MET  47  56.490  -6.805   0.588
  365   2HG   MET  47           HG1      MET  47  56.339  -5.399   1.643
  366   1HE   MET  47           HE1      MET  47  57.309  -6.853  -1.719
  367   2HE   MET  47           HE3      MET  47  57.914  -5.491  -2.670
  368   3HE   MET  47           HE2      MET  47  58.855  -6.111  -1.317
  369    H    LEU  48           HN       LEU  48  60.706  -5.964   3.568
  370    HA   LEU  48           HA       LEU  48  61.611  -8.772   3.410
  371   1HB   LEU  48           HB2      LEU  48  62.844  -6.050   3.804
  372   2HB   LEU  48           HB1      LEU  48  63.793  -7.506   4.107
  373    HG   LEU  48           HG       LEU  48  62.763  -8.190   1.727
  374   1HD1  LEU  48          HD13      LEU  48  62.833  -5.161   1.773
  375   2HD1  LEU  48          HD12      LEU  48  62.861  -6.105   0.283
  376   3HD1  LEU  48          HD11      LEU  48  61.466  -6.196   1.359
  377   1HD2  LEU  48          HD21      LEU  48  65.161  -6.430   2.302
  378   2HD2  LEU  48          HD23      LEU  48  65.130  -8.186   2.135
  379   3HD2  LEU  48          HD22      LEU  48  64.870  -7.160   0.724
  380    H    GLY  49           HN       GLY  49  60.195  -6.806   5.762
  381   1HA   GLY  49           HA2      GLY  49  59.732  -7.989   7.929
  382   2HA   GLY  49           HA1      GLY  49  61.437  -8.439   7.941
  383    H    GLN  50           HN       GLN  50  62.616  -6.012   7.202
  384    HA   GLN  50           HA       GLN  50  63.033  -4.622   9.548
  385   1HB   GLN  50           HB2      GLN  50  63.264  -4.144   6.668
  386   2HB   GLN  50           HB1      GLN  50  63.062  -2.649   7.581
  387   1HG   GLN  50           HG2      GLN  50  64.997  -4.705   8.588
  388   2HG   GLN  50           HG1      GLN  50  65.473  -3.677   7.236
  389   1HE2  GLN  50          HE22      GLN  50  66.211  -0.984   9.362
  390   2HE2  GLN  50          HE21      GLN  50  66.496  -1.790   7.895
  391    H    ASN  51           HN       ASN  51  61.912  -3.100  10.762
  392    HA   ASN  51           HA       ASN  51  59.464  -1.853   9.604
  393   1HB   ASN  51           HB2      ASN  51  58.235  -2.590  11.681
  394   2HB   ASN  51           HB1      ASN  51  58.724  -3.925  10.638
  395   1HD2  ASN  51          HD22      ASN  51  59.747  -4.800  14.120
  396   2HD2  ASN  51          HD21      ASN  51  58.270  -4.496  13.340
  397    HA   PRO  52           HA       PRO  52  62.092   0.741  12.533
  398   1HB   PRO  52           HB2      PRO  52  62.984   2.556  10.688
  399   2HB   PRO  52           HB1      PRO  52  63.863   1.064  11.079
  400   1HG   PRO  52           HG2      PRO  52  62.097   1.668   8.762
  401   2HG   PRO  52           HG1      PRO  52  63.602   0.739   8.822
  402   1HD   PRO  52           HD2      PRO  52  61.130  -0.408   8.722
  403   2HD   PRO  52           HD1      PRO  52  62.543  -1.185   9.472
  404    H    THR  53           HN       THR  53  61.982   3.505  12.007
  405    HA   THR  53           HA       THR  53  59.023   3.968  11.986
  406    HB   THR  53           HB       THR  53  60.237   6.205  13.049
  407    HG1  THR  53           HG1      THR  53  61.665   3.990  14.049
  408   1HG2  THR  53          HG22      THR  53  59.087   3.684  14.177
  409   2HG2  THR  53          HG21      THR  53  59.833   4.837  15.285
  410   3HG2  THR  53          HG23      THR  53  58.476   5.336  14.275
  411    HA   PRO  54           HA       PRO  54  59.309   6.680   8.551
  412   1HB   PRO  54           HB2      PRO  54  57.928   8.911   9.332
  413   2HB   PRO  54           HB1      PRO  54  57.138   7.364   8.963
  414   1HG   PRO  54           HG2      PRO  54  57.805   8.567  11.600
  415   2HG   PRO  54           HG1      PRO  54  56.383   7.635  11.112
  416   1HD   PRO  54           HD2      PRO  54  58.458   6.593  12.553
  417   2HD   PRO  54           HD1      PRO  54  57.408   5.627  11.494
  418    H    GLU  55           HN       GLU  55  60.158   8.205  11.644
  419    HA   GLU  55           HA       GLU  55  61.663  10.388  10.410
  420   1HB   GLU  55           HB2      GLU  55  60.451  10.272  12.686
  421   2HB   GLU  55           HB1      GLU  55  61.852   9.358  13.247
  422   1HG   GLU  55           HG2      GLU  55  62.690  11.423  13.733
  423   2HG   GLU  55           HG1      GLU  55  63.081  11.453  12.013
  424    H    GLU  56           HN       GLU  56  62.288   7.083  11.087
  425    HA   GLU  56           HA       GLU  56  65.171   7.346  11.529
  426   1HB   GLU  56           HB2      GLU  56  63.082   5.254  11.357
  427   2HB   GLU  56           HB1      GLU  56  64.694   4.739  10.860
  428   1HG   GLU  56           HG2      GLU  56  65.517   5.859  13.037
  429   2HG   GLU  56           HG1      GLU  56  63.823   5.843  13.529
  430    H    LEU  57           HN       LEU  57  63.020   6.756   8.784
  431    HA   LEU  57           HA       LEU  57  65.091   5.930   6.932
  432   1HB   LEU  57           HB2      LEU  57  62.357   7.169   6.470
  433   2HB   LEU  57           HB1      LEU  57  63.283   6.235   5.296
  434    HG   LEU  57           HG       LEU  57  62.623   5.039   7.975
  435   1HD1  LEU  57          HD13      LEU  57  60.816   5.268   5.559
  436   2HD1  LEU  57          HD12      LEU  57  60.606   4.020   6.787
  437   3HD1  LEU  57          HD11      LEU  57  60.456   5.722   7.224
  438   1HD2  LEU  57          HD21      LEU  57  63.997   4.216   5.652
  439   2HD2  LEU  57          HD23      LEU  57  63.543   3.209   7.027
  440   3HD2  LEU  57          HD22      LEU  57  62.468   3.338   5.634
  441    H    GLN  58           HN       GLN  58  63.596   9.046   7.773
  442    HA   GLN  58           HA       GLN  58  64.845  10.573   5.661
  443   1HB   GLN  58           HB2      GLN  58  62.807  11.143   7.061
  444   2HB   GLN  58           HB1      GLN  58  63.907  11.485   8.398
  445   1HG   GLN  58           HG2      GLN  58  64.145  13.567   7.574
  446   2HG   GLN  58           HG1      GLN  58  64.975  12.861   6.187
  447   1HE2  GLN  58          HE22      GLN  58  61.810  12.737   4.278
  448   2HE2  GLN  58          HE21      GLN  58  63.045  11.655   4.705
  449    H    GLU  59           HN       GLU  59  65.974   9.331   8.703
  450    HA   GLU  59           HA       GLU  59  68.140  11.265   9.054
  451   1HB   GLU  59           HB2      GLU  59  66.877   9.063  10.436
  452   2HB   GLU  59           HB1      GLU  59  68.629   8.863  10.469
  453   1HG   GLU  59           HG2      GLU  59  68.956  10.990  11.490
  454   2HG   GLU  59           HG1      GLU  59  67.300  11.489  11.151
  455    H    MET  60           HN       MET  60  67.656   8.405   7.175
  456    HA   MET  60           HA       MET  60  70.607   8.060   6.809
  457   1HB   MET  60           HB2      MET  60  68.364   6.320   7.143
  458   2HB   MET  60           HB1      MET  60  69.021   6.049   5.529
  459   1HG   MET  60           HG2      MET  60  71.336   6.099   6.817
  460   2HG   MET  60           HG1      MET  60  70.328   5.657   8.194
  461   1HE   MET  60           HE1      MET  60  68.538   4.232   8.069
  462   2HE   MET  60           HE3      MET  60  68.042   3.298   6.651
  463   3HE   MET  60           HE2      MET  60  68.993   2.536   7.925
  464    H    ILE  61           HN       ILE  61  67.540   8.407   5.014
  465    HA   ILE  61           HA       ILE  61  68.641   8.350   2.379
  466    HB   ILE  61           HB       ILE  61  66.204   9.627   3.646
  467   1HG1  ILE  61          HG12      ILE  61  66.397   7.267   1.762
  468   2HG1  ILE  61          HG11      ILE  61  66.537   7.084   3.511
  469   1HG2  ILE  61          HG21      ILE  61  67.003  10.755   1.476
  470   2HG2  ILE  61          HG23      ILE  61  66.625   9.227   0.679
  471   3HG2  ILE  61          HG22      ILE  61  65.351  10.141   1.485
  472   1HD1  ILE  61          HD12      ILE  61  64.326   8.208   3.769
  473   2HD1  ILE  61          HD11      ILE  61  64.180   8.263   2.013
  474   3HD1  ILE  61          HD13      ILE  61  64.218   6.709   2.846
  475    H    ASP  62           HN       ASP  62  68.027  11.081   4.607
  476    HA   ASP  62           HA       ASP  62  68.950  13.125   2.783
  477   1HB   ASP  62           HB2      ASP  62  68.744  14.535   4.733
  478   2HB   ASP  62           HB1      ASP  62  67.447  13.343   4.820
  479    H    GLU  63           HN       GLU  63  70.538  11.031   5.132
  480    HA   GLU  63           HA       GLU  63  73.045  12.518   5.177
  481   1HB   GLU  63           HB2      GLU  63  72.005   9.857   6.123
  482   2HB   GLU  63           HB1      GLU  63  73.735  10.194   6.194
  483   1HG   GLU  63           HG2      GLU  63  73.036  12.410   7.355
  484   2HG   GLU  63           HG1      GLU  63  71.485  11.611   7.613
  485    H    VAL  64           HN       VAL  64  71.881   9.566   3.538
  486    HA   VAL  64           HA       VAL  64  74.422   9.228   2.091
  487    HB   VAL  64           HB       VAL  64  72.855   7.415   2.975
  488   1HG1  VAL  64          HG11      VAL  64  70.771   8.540   2.172
  489   2HG1  VAL  64          HG13      VAL  64  71.262   8.188   0.515
  490   3HG1  VAL  64          HG12      VAL  64  70.904   6.867   1.628
  491   1HG2  VAL  64          HG22      VAL  64  74.156   7.611   0.341
  492   2HG2  VAL  64          HG21      VAL  64  74.281   6.346   1.563
  493   3HG2  VAL  64          HG23      VAL  64  72.927   6.349   0.435
  494    H    ASP  65           HN       ASP  65  71.075  10.191   1.344
  495    HA   ASP  65           HA       ASP  65  71.709  10.704  -1.481
  496   1HB   ASP  65           HB2      ASP  65  69.507   9.882  -0.345
  497   2HB   ASP  65           HB1      ASP  65  69.244  11.589   0.014
  498    H    GLU  66           HN       GLU  66  73.448  12.226   0.043
  499    HA   GLU  66           HA       GLU  66  72.755  14.771   0.930
  500   1HB   GLU  66           HB2      GLU  66  75.087  13.733  -0.697
  501   2HB   GLU  66           HB1      GLU  66  75.062  15.364  -0.026
  502   1HG   GLU  66           HG2      GLU  66  75.427  14.628   2.090
  503   2HG   GLU  66           HG1      GLU  66  74.319  13.268   1.903
  504    H    ASP  67           HN       ASP  67  72.867  13.599  -2.400
  505    HA   ASP  67           HA       ASP  67  72.934  15.911  -3.934
  506   1HB   ASP  67           HB2      ASP  67  71.067  13.526  -4.167
  507   2HB   ASP  67           HB1      ASP  67  71.466  14.631  -5.483
  508    H    GLY  68           HN       GLY  68  70.355  14.831  -1.798
  509   1HA   GLY  68           HA2      GLY  68  68.527  16.057  -0.955
  510   2HA   GLY  68           HA1      GLY  68  69.121  17.463  -1.840
  511    H    SER  69           HN       SER  69  68.730  14.563  -3.663
  512    HA   SER  69           HA       SER  69  66.752  15.792  -5.398
  513   1HB   SER  69           HB2      SER  69  67.363  12.858  -5.355
  514   2HB   SER  69           HB1      SER  69  67.196  13.939  -6.736
  515    HG   SER  69           HG       SER  69  69.411  13.160  -5.814
  516    H    GLY  70           HN       GLY  70  66.661  13.205  -2.944
  517   1HA   GLY  70           HA2      GLY  70  64.708  12.868  -1.529
  518   2HA   GLY  70           HA1      GLY  70  63.709  13.570  -2.803
  519    H    THR  71           HN       THR  71  66.139  11.338  -3.810
  520    HA   THR  71           HA       THR  71  64.239   9.047  -3.796
  521    HB   THR  71           HB       THR  71  64.784   8.845  -6.315
  522    HG1  THR  71           HG1      THR  71  65.768  10.475  -7.226
  523   1HG2  THR  71          HG23      THR  71  62.751  10.134  -4.916
  524   2HG2  THR  71          HG22      THR  71  63.235  11.310  -6.138
  525   3HG2  THR  71          HG21      THR  71  62.718   9.696  -6.624
  526    H    VAL  72           HN       VAL  72  65.320   7.042  -3.895
  527    HA   VAL  72           HA       VAL  72  68.306   7.190  -3.740
  528    HB   VAL  72           HB       VAL  72  67.836   4.839  -2.667
  529   1HG1  VAL  72          HG13      VAL  72  67.334   7.555  -1.493
  530   2HG1  VAL  72          HG12      VAL  72  67.181   6.112  -0.489
  531   3HG1  VAL  72          HG11      VAL  72  68.720   6.486  -1.268
  532   1HG2  VAL  72          HG22      VAL  72  65.358   5.059  -3.428
  533   2HG2  VAL  72          HG21      VAL  72  65.677   4.464  -1.798
  534   3HG2  VAL  72          HG23      VAL  72  65.187   6.140  -2.045
  535    H    ASP  73           HN       ASP  73  69.539   5.565  -4.824
  536    HA   ASP  73           HA       ASP  73  68.124   4.302  -7.143
  537   1HB   ASP  73           HB2      ASP  73  71.049   5.006  -6.706
  538   2HB   ASP  73           HB1      ASP  73  70.336   4.430  -8.213
  539    H    PHE  74           HN       PHE  74  69.550   2.231  -7.841
  540    HA   PHE  74           HA       PHE  74  69.251   0.269  -5.790
  541   1HB   PHE  74           HB2      PHE  74  69.497   0.201  -8.432
  542   2HB   PHE  74           HB1      PHE  74  71.204  -0.036  -8.050
  543    HD1  PHE  74           HD1      PHE  74  71.843  -1.920  -6.448
  544    HD2  PHE  74           HD2      PHE  74  67.949  -1.578  -8.227
  545    HE1  PHE  74           HE1      PHE  74  71.400  -4.306  -5.935
  546    HE2  PHE  74           HE2      PHE  74  67.505  -3.964  -7.715
  547    HZ   PHE  74           HZ       PHE  74  69.230  -5.328  -6.570
  548    H    ASP  75           HN       ASP  75  71.708   2.602  -6.297
  549    HA   ASP  75           HA       ASP  75  73.841   1.061  -4.964
  550   1HB   ASP  75           HB2      ASP  75  73.523   3.851  -6.091
  551   2HB   ASP  75           HB1      ASP  75  74.991   3.343  -5.254
  552    H    GLU  76           HN       GLU  76  71.573   3.689  -4.198
  553    HA   GLU  76           HA       GLU  76  72.759   4.094  -1.527
  554   1HB   GLU  76           HB2      GLU  76  70.396   5.231  -3.048
  555   2HB   GLU  76           HB1      GLU  76  70.825   5.743  -1.416
  556   1HG   GLU  76           HG2      GLU  76  73.218   6.083  -2.458
  557   2HG   GLU  76           HG1      GLU  76  72.331   6.150  -3.981
  558    H    PHE  77           HN       PHE  77  69.577   3.036  -2.821
  559    HA   PHE  77           HA       PHE  77  68.448   2.324  -0.294
  560   1HB   PHE  77           HB2      PHE  77  67.069   2.644  -2.229
  561   2HB   PHE  77           HB1      PHE  77  67.978   1.446  -3.153
  562    HD1  PHE  77           HD1      PHE  77  65.813   1.846  -0.133
  563    HD2  PHE  77           HD2      PHE  77  67.357  -0.830  -3.117
  564    HE1  PHE  77           HE1      PHE  77  64.300   0.061   0.686
  565    HE2  PHE  77           HE2      PHE  77  65.843  -2.616  -2.298
  566    HZ   PHE  77           HZ       PHE  77  64.314  -2.170  -0.396
  567    H    LEU  78           HN       LEU  78  70.995   0.847  -2.016
  568    HA   LEU  78           HA       LEU  78  70.432  -1.868  -0.965
  569   1HB   LEU  78           HB2      LEU  78  71.235  -1.983  -3.144
  570   2HB   LEU  78           HB1      LEU  78  72.245  -0.551  -2.953
  571    HG   LEU  78           HG       LEU  78  73.819  -1.808  -1.573
  572   1HD1  LEU  78          HD13      LEU  78  71.613  -3.778  -1.644
  573   2HD1  LEU  78          HD12      LEU  78  73.229  -4.464  -1.823
  574   3HD1  LEU  78          HD11      LEU  78  72.834  -3.499  -0.401
  575   1HD2  LEU  78          HD21      LEU  78  73.079  -2.672  -4.315
  576   2HD2  LEU  78          HD23      LEU  78  74.621  -2.068  -3.703
  577   3HD2  LEU  78          HD22      LEU  78  74.165  -3.753  -3.441
  578    H    VAL  79           HN       VAL  79  72.817   0.766  -0.637
  579    HA   VAL  79           HA       VAL  79  74.476  -0.619   1.292
  580    HB   VAL  79           HB       VAL  79  74.114   2.330   0.670
  581   1HG1  VAL  79          HG11      VAL  79  75.350   1.677   2.806
  582   2HG1  VAL  79          HG13      VAL  79  76.553   0.916   1.767
  583   3HG1  VAL  79          HG12      VAL  79  76.268   2.653   1.659
  584   1HG2  VAL  79          HG22      VAL  79  74.886   0.338  -1.067
  585   2HG2  VAL  79          HG21      VAL  79  75.369   2.028  -1.203
  586   3HG2  VAL  79          HG23      VAL  79  76.434   0.868  -0.410
  587    H    MET  80           HN       MET  80  71.906   1.851   1.559
  588    HA   MET  80           HA       MET  80  71.982   2.342   4.325
  589   1HB   MET  80           HB2      MET  80  69.912   2.309   2.163
  590   2HB   MET  80           HB1      MET  80  69.361   2.507   3.827
  591   1HG   MET  80           HG2      MET  80  71.249   4.310   3.972
  592   2HG   MET  80           HG1      MET  80  71.161   4.295   2.211
  593   1HE   MET  80           HE3      MET  80  69.205   4.251   0.965
  594   2HE   MET  80           HE2      MET  80  67.700   3.844   1.788
  595   3HE   MET  80           HE1      MET  80  67.933   5.468   1.145
  596    H    MET  81           HN       MET  81  70.642  -0.429   2.578
  597    HA   MET  81           HA       MET  81  69.321  -1.569   4.923
  598   1HB   MET  81           HB2      MET  81  69.519  -1.964   2.075
  599   2HB   MET  81           HB1      MET  81  69.796  -3.501   2.894
  600   1HG   MET  81           HG2      MET  81  67.475  -1.680   3.570
  601   2HG   MET  81           HG1      MET  81  67.362  -2.972   2.375
  602   1HE   MET  81           HE2      MET  81  65.627  -3.817   3.234
  603   2HE   MET  81           HE1      MET  81  66.079  -5.458   3.689
  604   3HE   MET  81           HE3      MET  81  65.282  -4.399   4.861
  605    H    VAL  82           HN       VAL  82  72.405  -2.081   3.216
  606    HA   VAL  82           HA       VAL  82  73.229  -4.439   4.594
  607    HB   VAL  82           HB       VAL  82  74.153  -3.190   2.508
  608   1HG1  VAL  82          HG11      VAL  82  74.749  -1.272   4.463
  609   2HG1  VAL  82          HG13      VAL  82  76.298  -2.019   4.079
  610   3HG1  VAL  82          HG12      VAL  82  75.330  -1.290   2.800
  611   1HG2  VAL  82          HG22      VAL  82  75.120  -5.224   3.908
  612   2HG2  VAL  82          HG21      VAL  82  76.087  -4.468   2.642
  613   3HG2  VAL  82          HG23      VAL  82  76.367  -4.052   4.333
  614    H    ARG  83           HN       ARG  83  72.962  -1.167   5.673
  615    HA   ARG  83           HA       ARG  83  74.905  -1.478   7.876
  616   1HB   ARG  83           HB2      ARG  83  74.282   0.619   6.439
  617   2HB   ARG  83           HB1      ARG  83  72.900   0.744   7.528
  618   1HG   ARG  83           HG2      ARG  83  74.684   2.096   8.444
  619   2HG   ARG  83           HG1      ARG  83  74.512   0.665   9.462
  620   1HD   ARG  83           HD2      ARG  83  76.331  -0.022   7.380
  621   2HD   ARG  83           HD1      ARG  83  76.845   1.543   8.038
  622    HE   ARG  83           HE       ARG  83  76.211   0.092  10.297
  623   1HH1  ARG  83          HH11      ARG  83  77.279  -1.782   7.837
  624   2HH1  ARG  83          HH12      ARG  83  78.812  -2.198   8.529
  625   1HH2  ARG  83          HH21      ARG  83  78.592   0.142  11.079
  626   2HH2  ARG  83          HH22      ARG  83  79.555  -1.107  10.364
  627    H    CYS  84           HN       CYS  84  71.375  -1.331   7.420
  628    HA   CYS  84           HA       CYS  84  70.883  -1.658  10.314
  629   1HB   CYS  84           HB2      CYS  84  69.348  -1.117   7.811
  630   2HB   CYS  84           HB1      CYS  84  68.466  -1.843   9.155
  631    HG   CYS  84           HG       CYS  84  68.754   0.956   9.120
  632    H    MET  85           HN       MET  85  72.308  -3.825   8.887
  633    HA   MET  85           HA       MET  85  70.427  -6.004   8.420
  634   1HB   MET  85           HB2      MET  85  73.367  -5.517   8.470
  635   2HB   MET  85           HB1      MET  85  72.838  -7.186   8.690
  636   1HG   MET  85           HG2      MET  85  71.939  -5.395   6.416
  637   2HG   MET  85           HG1      MET  85  73.228  -6.593   6.290
  638   1HE   MET  85           HE2      MET  85  71.847  -7.469   4.227
  639   2HE   MET  85           HE1      MET  85  70.195  -8.076   4.307
  640   3HE   MET  85           HE3      MET  85  70.520  -6.353   4.541
  641    H    LYS  86           HN       LYS  86  72.641  -5.094  11.075
  642    HA   LYS  86           HA       LYS  86  70.971  -6.220  13.121
  643   1HB   LYS  86           HB2      LYS  86  72.232  -8.120  11.575
  644   2HB   LYS  86           HB1      LYS  86  73.356  -7.941  12.921
  645   1HG   LYS  86           HG2      LYS  86  71.240  -8.107  14.423
  646   2HG   LYS  86           HG1      LYS  86  70.462  -8.777  12.988
  647   1HD   LYS  86           HD2      LYS  86  71.758 -10.691  13.007
  648   2HD   LYS  86           HD1      LYS  86  73.121  -9.887  13.783
  649   1HE   LYS  86           HE2      LYS  86  70.814  -9.852  15.541
  650   2HE   LYS  86           HE1      LYS  86  71.206 -11.512  15.053
  651   1HZ   LYS  86           HZ3      LYS  86  73.548 -11.032  15.551
  652   2HZ   LYS  86           HZ2      LYS  86  73.109  -9.493  16.122
  653   3HZ   LYS  86           HZ1      LYS  86  72.569 -10.888  16.929
  654    H    ASP  87           HN       ASP  87  74.442  -5.875  12.276
  655    HA   ASP  87           HA       ASP  87  75.120  -5.002  14.995
  656   1HB   ASP  87           HB2      ASP  87  76.643  -6.363  13.653
  657   2HB   ASP  87           HB1      ASP  87  76.644  -5.148  12.373
  658    H    ASP  88           HN       ASP  88  74.383  -2.962  15.532
  659    HA   ASP  88           HA       ASP  88  75.238  -0.700  13.793
  660   1HB   ASP  88           HB2      ASP  88  72.890   0.241  14.121
  661   2HB   ASP  88           HB1      ASP  88  72.989  -1.172  13.071
  662    H    SER  89           HN       SER  89  76.075  -1.782  16.451
  663    HA   SER  89           HA       SER  89  76.362   0.667  17.892
  664   1HB   SER  89           HB2      SER  89  73.811  -0.567  18.076
  665   2HB   SER  89           HB1      SER  89  74.606  -0.827  19.625
  666    HG   SER  89           HG       SER  89  73.390   1.252  19.168
   
  No H/Q in entry =         666
  Start of MODEL   38
    1   1H    MET   1           HT3      MET   1  89.302  -0.731   1.064
    2   2H    MET   1           HT2      MET   1  90.862  -1.362   1.296
    3   3H    MET   1           HT1      MET   1  89.814  -1.173   2.619
    4    HA   MET   1           HA       MET   1  91.140   0.677   2.883
    5   1HB   MET   1           HB2      MET   1  91.863  -0.107   0.316
    6   2HB   MET   1           HB1      MET   1  91.225   1.520   0.074
    7   1HG   MET   1           HG2      MET   1  92.734   1.859   2.337
    8   2HG   MET   1           HG1      MET   1  93.677   0.650   1.466
    9   1HE   MET   1           HE1      MET   1  93.900   0.626  -0.870
   10   2HE   MET   1           HE3      MET   1  92.994   1.764  -1.875
   11   3HE   MET   1           HE2      MET   1  94.736   1.946  -1.684
   12    H    ASP   2           HN       ASP   2  89.398   1.788   3.821
   13    HA   ASP   2           HA       ASP   2  87.739   3.474   3.943
   14   1HB   ASP   2           HB2      ASP   2  89.482   4.168   1.955
   15   2HB   ASP   2           HB1      ASP   2  87.965   4.098   1.058
   16    H    ASP   3           HN       ASP   3  85.820   4.225   2.038
   17    HA   ASP   3           HA       ASP   3  83.702   3.472   1.287
   18   1HB   ASP   3           HB2      ASP   3  85.409   1.209   0.213
   19   2HB   ASP   3           HB1      ASP   3  83.939   1.874  -0.501
   20    H    ILE   4           HN       ILE   4  83.521   2.897   3.793
   21    HA   ILE   4           HA       ILE   4  83.601   0.085   4.520
   22    HB   ILE   4           HB       ILE   4  82.711   0.911   6.598
   23   1HG1  ILE   4          HG12      ILE   4  81.827   3.297   4.948
   24   2HG1  ILE   4          HG11      ILE   4  80.789   2.135   5.775
   25   1HG2  ILE   4          HG22      ILE   4  85.022   1.738   5.762
   26   2HG2  ILE   4          HG21      ILE   4  84.219   3.288   5.515
   27   3HG2  ILE   4          HG23      ILE   4  84.294   2.582   7.129
   28   1HD1  ILE   4          HD13      ILE   4  82.809   3.846   7.240
   29   2HD1  ILE   4          HD12      ILE   4  81.140   4.356   6.982
   30   3HD1  ILE   4          HD11      ILE   4  81.484   2.908   7.930
   31    H    TYR   5           HN       TYR   5  81.236   2.190   3.035
   32    HA   TYR   5           HA       TYR   5  78.938   0.465   3.621
   33   1HB   TYR   5           HB2      TYR   5  79.349   2.763   1.679
   34   2HB   TYR   5           HB1      TYR   5  77.790   2.105   2.178
   35    HD1  TYR   5           HD2      TYR   5  77.307   2.053   4.740
   36    HD2  TYR   5           HD1      TYR   5  80.330   4.499   2.915
   37    HE1  TYR   5           HE2      TYR   5  77.321   3.524   6.736
   38    HE2  TYR   5           HE1      TYR   5  80.344   5.971   4.910
   39    HH   TYR   5           HH       TYR   5  78.338   6.451   6.853
   40    H    LYS   6           HN       LYS   6  81.172   0.987   0.913
   41    HA   LYS   6           HA       LYS   6  79.790  -0.443  -1.113
   42   1HB   LYS   6           HB2      LYS   6  82.324   0.750  -0.627
   43   2HB   LYS   6           HB1      LYS   6  82.634  -0.883  -1.219
   44   1HG   LYS   6           HG2      LYS   6  82.314   0.001  -3.282
   45   2HG   LYS   6           HG1      LYS   6  80.598  -0.040  -2.874
   46   1HD   LYS   6           HD2      LYS   6  80.587   2.200  -3.129
   47   2HD   LYS   6           HD1      LYS   6  81.551   2.291  -1.654
   48   1HE   LYS   6           HE2      LYS   6  83.606   1.908  -3.160
   49   2HE   LYS   6           HE1      LYS   6  82.525   2.277  -4.520
   50   1HZ   LYS   6           HZ1      LYS   6  82.382   4.031  -2.193
   51   2HZ   LYS   6           HZ3      LYS   6  83.770   4.171  -3.160
   52   3HZ   LYS   6           HZ2      LYS   6  82.231   4.405  -3.845
   53    H    ALA   7           HN       ALA   7  82.149  -1.621   1.309
   54    HA   ALA   7           HA       ALA   7  82.343  -4.313   0.552
   55   1HB   ALA   7           HB1      ALA   7  82.339  -2.836   3.181
   56   2HB   ALA   7           HB3      ALA   7  82.560  -4.585   3.144
   57   3HB   ALA   7           HB2      ALA   7  83.706  -3.534   2.312
   58    H    ALA   8           HN       ALA   8  79.622  -2.623   1.949
   59    HA   ALA   8           HA       ALA   8  78.177  -4.802   3.083
   60   1HB   ALA   8           HB3      ALA   8  77.867  -2.140   2.913
   61   2HB   ALA   8           HB2      ALA   8  76.762  -2.614   1.622
   62   3HB   ALA   8           HB1      ALA   8  76.509  -3.209   3.262
   63    H    VAL   9           HN       VAL   9  77.792  -3.332  -0.175
   64    HA   VAL   9           HA       VAL   9  75.941  -5.144  -1.256
   65    HB   VAL   9           HB       VAL   9  78.297  -3.653  -2.441
   66   1HG1  VAL   9          HG12      VAL   9  76.564  -5.662  -3.647
   67   2HG1  VAL   9          HG11      VAL   9  76.423  -4.106  -4.463
   68   3HG1  VAL   9          HG13      VAL   9  77.999  -4.883  -4.312
   69   1HG2  VAL   9          HG23      VAL   9  75.868  -2.784  -1.416
   70   2HG2  VAL   9          HG22      VAL   9  76.880  -1.887  -2.548
   71   3HG2  VAL   9          HG21      VAL   9  75.557  -2.886  -3.149
   72    H    GLU  10           HN       GLU  10  79.495  -5.439  -1.093
   73    HA   GLU  10           HA       GLU  10  79.792  -7.842  -2.578
   74   1HB   GLU  10           HB2      GLU  10  81.285  -6.137  -0.770
   75   2HB   GLU  10           HB1      GLU  10  81.659  -7.834  -0.460
   76   1HG   GLU  10           HG2      GLU  10  83.156  -6.890  -2.186
   77   2HG   GLU  10           HG1      GLU  10  82.146  -8.175  -2.849
   78    H    GLN  11           HN       GLN  11  79.238  -7.375   0.930
   79    HA   GLN  11           HA       GLN  11  79.339 -10.068   1.762
   80   1HB   GLN  11           HB2      GLN  11  78.418  -7.501   2.700
   81   2HB   GLN  11           HB1      GLN  11  77.254  -8.743   3.161
   82   1HG   GLN  11           HG2      GLN  11  79.236 -10.113   3.994
   83   2HG   GLN  11           HG1      GLN  11  80.212  -8.659   3.788
   84   1HE2  GLN  11          HE22      GLN  11  78.826  -7.000   6.613
   85   2HE2  GLN  11          HE21      GLN  11  79.757  -6.817   5.205
   86    H    LEU  12           HN       LEU  12  76.836  -8.351  -0.012
   87    HA   LEU  12           HA       LEU  12  74.778 -10.388   0.403
   88   1HB   LEU  12           HB2      LEU  12  75.060  -8.117  -1.593
   89   2HB   LEU  12           HB1      LEU  12  73.568  -8.990  -1.240
   90    HG   LEU  12           HG       LEU  12  75.153  -7.540   0.891
   91   1HD1  LEU  12          HD11      LEU  12  73.332  -6.505  -1.180
   92   2HD1  LEU  12          HD13      LEU  12  72.885  -6.046   0.463
   93   3HD1  LEU  12          HD12      LEU  12  74.484  -5.641  -0.162
   94   1HD2  LEU  12          HD21      LEU  12  72.834  -9.264   0.836
   95   2HD2  LEU  12          HD23      LEU  12  73.662  -8.572   2.231
   96   3HD2  LEU  12          HD22      LEU  12  72.379  -7.667   1.428
   97    H    THR  13           HN       THR  13  74.710 -12.300  -0.706
   98    HA   THR  13           HA       THR  13  76.541 -12.803  -2.942
   99    HB   THR  13           HB       THR  13  75.438 -15.076  -2.769
  100    HG1  THR  13           HG1      THR  13  73.538 -14.987  -1.896
  101   1HG2  THR  13          HG21      THR  13  77.388 -14.110  -1.301
  102   2HG2  THR  13          HG23      THR  13  76.186 -14.153  -0.013
  103   3HG2  THR  13          HG22      THR  13  76.636 -15.639  -0.849
  104    H    GLU  14           HN       GLU  14  75.754 -13.593  -5.051
  105    HA   GLU  14           HA       GLU  14  73.942 -11.957  -6.399
  106   1HB   GLU  14           HB2      GLU  14  74.869 -14.805  -6.765
  107   2HB   GLU  14           HB1      GLU  14  73.787 -14.050  -7.936
  108   1HG   GLU  14           HG2      GLU  14  75.562 -13.058  -8.895
  109   2HG   GLU  14           HG1      GLU  14  75.848 -12.174  -7.395
  110    H    GLU  15           HN       GLU  15  73.251 -15.092  -4.825
  111    HA   GLU  15           HA       GLU  15  70.569 -15.457  -5.533
  112   1HB   GLU  15           HB2      GLU  15  72.383 -16.635  -3.889
  113   2HB   GLU  15           HB1      GLU  15  71.305 -15.916  -2.693
  114   1HG   GLU  15           HG2      GLU  15  70.221 -17.508  -5.015
  115   2HG   GLU  15           HG1      GLU  15  70.737 -18.298  -3.524
  116    H    GLN  16           HN       GLN  16  71.849 -13.492  -2.828
  117    HA   GLN  16           HA       GLN  16  69.202 -12.571  -2.013
  118   1HB   GLN  16           HB2      GLN  16  72.006 -11.584  -1.390
  119   2HB   GLN  16           HB1      GLN  16  70.551 -11.181  -0.478
  120   1HG   GLN  16           HG2      GLN  16  70.270 -13.776  -0.276
  121   2HG   GLN  16           HG1      GLN  16  71.989 -13.816  -0.671
  122   1HE2  GLN  16          HE22      GLN  16  70.782 -12.445   2.981
  123   2HE2  GLN  16          HE21      GLN  16  69.640 -12.778   1.770
  124    H    LYS  17           HN       LYS  17  71.902 -11.214  -3.903
  125    HA   LYS  17           HA       LYS  17  70.982  -8.558  -4.208
  126   1HB   LYS  17           HB2      LYS  17  73.060 -10.120  -5.084
  127   2HB   LYS  17           HB1      LYS  17  72.171  -9.852  -6.583
  128   1HG   LYS  17           HG2      LYS  17  72.142  -7.378  -5.981
  129   2HG   LYS  17           HG1      LYS  17  73.297  -7.764  -4.705
  130   1HD   LYS  17           HD2      LYS  17  73.998  -8.902  -7.327
  131   2HD   LYS  17           HD1      LYS  17  73.982  -7.138  -7.294
  132   1HE   LYS  17           HE2      LYS  17  75.245  -8.091  -4.888
  133   2HE   LYS  17           HE1      LYS  17  76.020  -8.845  -6.296
  134   1HZ   LYS  17           HZ2      LYS  17  75.294  -6.014  -6.469
  135   2HZ   LYS  17           HZ1      LYS  17  76.658  -6.420  -5.542
  136   3HZ   LYS  17           HZ3      LYS  17  76.594  -6.842  -7.184
  137    H    ASN  18           HN       ASN  18  69.946 -11.524  -5.827
  138    HA   ASN  18           HA       ASN  18  68.409 -10.199  -7.909
  139   1HB   ASN  18           HB2      ASN  18  68.782 -12.952  -6.787
  140   2HB   ASN  18           HB1      ASN  18  67.398 -12.663  -7.843
  141   1HD2  ASN  18          HD22      ASN  18  71.141 -12.801  -9.424
  142   2HD2  ASN  18          HD21      ASN  18  70.893 -12.963  -7.752
  143    H    GLU  19           HN       GLU  19  67.723 -11.376  -4.642
  144    HA   GLU  19           HA       GLU  19  64.870 -11.312  -4.745
  145   1HB   GLU  19           HB2      GLU  19  66.225 -12.362  -2.975
  146   2HB   GLU  19           HB1      GLU  19  66.816 -10.776  -2.477
  147   1HG   GLU  19           HG2      GLU  19  64.823 -10.188  -1.489
  148   2HG   GLU  19           HG1      GLU  19  63.861 -11.136  -2.623
  149    H    PHE  20           HN       PHE  20  67.239  -8.785  -3.859
  150    HA   PHE  20           HA       PHE  20  65.268  -6.779  -3.205
  151   1HB   PHE  20           HB2      PHE  20  68.198  -7.000  -3.683
  152   2HB   PHE  20           HB1      PHE  20  67.501  -5.387  -3.828
  153    HD1  PHE  20           HD2      PHE  20  65.315  -5.466  -1.858
  154    HD2  PHE  20           HD1      PHE  20  69.313  -7.017  -1.607
  155    HE1  PHE  20           HE2      PHE  20  65.234  -5.279   0.614
  156    HE2  PHE  20           HE1      PHE  20  69.232  -6.830   0.864
  157    HZ   PHE  20           HZ       PHE  20  67.193  -5.961   1.975
  158    H    LYS  21           HN       LYS  21  66.964  -7.669  -6.195
  159    HA   LYS  21           HA       LYS  21  66.296  -5.411  -7.787
  160   1HB   LYS  21           HB2      LYS  21  67.839  -7.454  -8.191
  161   2HB   LYS  21           HB1      LYS  21  66.382  -8.268  -8.763
  162   1HG   LYS  21           HG2      LYS  21  66.081  -6.724 -10.538
  163   2HG   LYS  21           HG1      LYS  21  67.203  -5.564  -9.827
  164   1HD   LYS  21           HD2      LYS  21  68.971  -6.541 -10.827
  165   2HD   LYS  21           HD1      LYS  21  68.484  -8.138 -10.256
  166   1HE   LYS  21           HE2      LYS  21  68.182  -8.496 -12.520
  167   2HE   LYS  21           HE1      LYS  21  66.608  -7.748 -12.184
  168   1HZ   LYS  21           HZ1      LYS  21  69.047  -6.197 -12.861
  169   2HZ   LYS  21           HZ3      LYS  21  67.896  -6.664 -14.016
  170   3HZ   LYS  21           HZ2      LYS  21  67.453  -5.619 -12.752
  171    H    ALA  22           HN       ALA  22  64.516  -8.477  -7.293
  172    HA   ALA  22           HA       ALA  22  62.291  -7.726  -8.997
  173   1HB   ALA  22           HB2      ALA  22  63.252 -10.023  -7.997
  174   2HB   ALA  22           HB1      ALA  22  62.027  -9.700  -6.770
  175   3HB   ALA  22           HB3      ALA  22  61.559  -9.855  -8.462
  176    H    ALA  23           HN       ALA  23  63.252  -6.581  -5.986
  177    HA   ALA  23           HA       ALA  23  60.431  -5.979  -5.163
  178   1HB   ALA  23           HB2      ALA  23  62.431  -7.224  -3.791
  179   2HB   ALA  23           HB1      ALA  23  62.699  -5.551  -3.301
  180   3HB   ALA  23           HB3      ALA  23  61.137  -6.315  -3.010
  181    H    PHE  24           HN       PHE  24  63.708  -4.522  -4.965
  182    HA   PHE  24           HA       PHE  24  62.820  -1.842  -4.539
  183   1HB   PHE  24           HB2      PHE  24  65.072  -2.454  -4.052
  184   2HB   PHE  24           HB1      PHE  24  65.316  -3.128  -5.664
  185    HD1  PHE  24           HD2      PHE  24  65.567  -1.648  -7.629
  186    HD2  PHE  24           HD1      PHE  24  65.207  -0.069  -3.649
  187    HE1  PHE  24           HE2      PHE  24  66.385   0.553  -8.428
  188    HE2  PHE  24           HE1      PHE  24  66.025   2.131  -4.450
  189    HZ   PHE  24           HZ       PHE  24  66.614   2.442  -6.839
  190    H    ASP  25           HN       ASP  25  63.749  -3.534  -7.554
  191    HA   ASP  25           HA       ASP  25  63.411  -1.356  -9.347
  192   1HB   ASP  25           HB2      ASP  25  64.275  -3.883  -9.519
  193   2HB   ASP  25           HB1      ASP  25  62.641  -4.136 -10.134
  194    H    ILE  26           HN       ILE  26  61.053  -3.356  -7.715
  195    HA   ILE  26           HA       ILE  26  58.832  -2.795  -9.508
  196    HB   ILE  26           HB       ILE  26  59.192  -3.890  -6.721
  197   1HG1  ILE  26          HG12      ILE  26  58.381  -5.027  -9.412
  198   2HG1  ILE  26          HG11      ILE  26  59.859  -5.371  -8.512
  199   1HG2  ILE  26          HG23      ILE  26  56.638  -3.303  -8.234
  200   2HG2  ILE  26          HG22      ILE  26  56.716  -4.535  -6.974
  201   3HG2  ILE  26          HG21      ILE  26  57.052  -2.848  -6.580
  202   1HD1  ILE  26          HD13      ILE  26  57.049  -6.036  -7.599
  203   2HD1  ILE  26          HD12      ILE  26  58.216  -7.190  -8.245
  204   3HD1  ILE  26          HD11      ILE  26  58.529  -6.385  -6.707
  205    H    PHE  27           HN       PHE  27  60.515  -0.874  -7.294
  206    HA   PHE  27           HA       PHE  27  58.120   0.888  -6.869
  207   1HB   PHE  27           HB2      PHE  27  60.584   0.285  -5.214
  208   2HB   PHE  27           HB1      PHE  27  59.533   1.659  -4.867
  209    HD1  PHE  27           HD2      PHE  27  59.268  -2.014  -5.612
  210    HD2  PHE  27           HD1      PHE  27  57.778   1.335  -3.371
  211    HE1  PHE  27           HE2      PHE  27  57.702  -3.514  -4.411
  212    HE2  PHE  27           HE1      PHE  27  56.212  -0.167  -2.170
  213    HZ   PHE  27           HZ       PHE  27  56.173  -2.591  -2.689
  214    H    VAL  28           HN       VAL  28  60.148   0.801  -9.140
  215    HA   VAL  28           HA       VAL  28  61.471   3.456  -8.757
  216    HB   VAL  28           HB       VAL  28  61.836   1.237 -10.800
  217   1HG1  VAL  28          HG12      VAL  28  62.668   3.981 -10.801
  218   2HG1  VAL  28          HG11      VAL  28  64.092   2.963 -10.586
  219   3HG1  VAL  28          HG13      VAL  28  63.039   2.725 -11.981
  220   1HG2  VAL  28          HG21      VAL  28  62.493   0.849  -8.330
  221   2HG2  VAL  28          HG23      VAL  28  63.739   0.572  -9.547
  222   3HG2  VAL  28          HG22      VAL  28  63.742   2.062  -8.606
  223    H    LEU  29           HN       LEU  29  58.534   2.706  -9.583
  224    HA   LEU  29           HA       LEU  29  57.915   3.274 -12.224
  225   1HB   LEU  29           HB2      LEU  29  55.838   4.265 -11.272
  226   2HB   LEU  29           HB1      LEU  29  56.303   2.785 -10.431
  227    HG   LEU  29           HG       LEU  29  57.667   4.877  -9.116
  228   1HD1  LEU  29          HD12      LEU  29  54.820   5.564  -9.857
  229   2HD1  LEU  29          HD11      LEU  29  55.577   6.204  -8.399
  230   3HD1  LEU  29          HD13      LEU  29  56.256   6.579  -9.983
  231   1HD2  LEU  29          HD23      LEU  29  55.933   2.698  -8.556
  232   2HD2  LEU  29          HD22      LEU  29  56.919   3.608  -7.411
  233   3HD2  LEU  29          HD21      LEU  29  55.259   4.107  -7.737
  234    H    GLY  30           HN       GLY  30  59.282   5.462  -9.853
  235   1HA   GLY  30           HA2      GLY  30  59.024   7.706 -11.814
  236   2HA   GLY  30           HA1      GLY  30  59.190   7.934 -10.072
  237    H    ALA  31           HN       ALA  31  61.032   9.355 -11.020
  238    HA   ALA  31           HA       ALA  31  63.347   9.673 -11.408
  239   1HB   ALA  31           HB3      ALA  31  62.805   7.980  -9.209
  240   2HB   ALA  31           HB2      ALA  31  64.180   7.258 -10.045
  241   3HB   ALA  31           HB1      ALA  31  64.266   8.928  -9.482
  242    H    GLU  32           HN       GLU  32  63.477   9.241 -13.679
  243    HA   GLU  32           HA       GLU  32  63.558   6.569 -14.785
  244   1HB   GLU  32           HB2      GLU  32  63.505   9.287 -15.632
  245   2HB   GLU  32           HB1      GLU  32  64.900   8.532 -16.403
  246   1HG   GLU  32           HG2      GLU  32  63.174   6.570 -16.852
  247   2HG   GLU  32           HG1      GLU  32  61.994   7.870 -16.682
  248    H    ASP  33           HN       ASP  33  65.296   6.226 -12.783
  249    HA   ASP  33           HA       ASP  33  67.891   5.892 -14.162
  250   1HB   ASP  33           HB2      ASP  33  67.439   8.198 -12.788
  251   2HB   ASP  33           HB1      ASP  33  68.066   7.179 -11.492
  252    H    GLY  34           HN       GLY  34  65.749   4.176 -12.927
  253   1HA   GLY  34           HA2      GLY  34  65.682   2.200 -11.661
  254   2HA   GLY  34           HA1      GLY  34  67.446   2.269 -11.625
  255    H    CYS  35           HN       CYS  35  65.284   4.777 -10.399
  256    HA   CYS  35           HA       CYS  35  66.276   4.162  -7.631
  257   1HB   CYS  35           HB2      CYS  35  65.624   6.835  -8.920
  258   2HB   CYS  35           HB1      CYS  35  66.289   6.599  -7.303
  259    HG   CYS  35           HG       CYS  35  68.485   6.726  -8.455
  260    H    ILE  36           HN       ILE  36  64.739   4.871  -5.907
  261    HA   ILE  36           HA       ILE  36  61.892   4.879  -6.860
  262    HB   ILE  36           HB       ILE  36  61.413   3.463  -4.916
  263   1HG1  ILE  36          HG12      ILE  36  64.396   3.507  -4.371
  264   2HG1  ILE  36          HG11      ILE  36  63.240   4.515  -3.499
  265   1HG2  ILE  36          HG23      ILE  36  62.573   2.626  -7.176
  266   2HG2  ILE  36          HG22      ILE  36  63.849   2.162  -6.051
  267   3HG2  ILE  36          HG21      ILE  36  62.221   1.514  -5.852
  268   1HD1  ILE  36          HD11      ILE  36  62.473   1.675  -3.663
  269   2HD1  ILE  36          HD13      ILE  36  63.954   1.971  -2.752
  270   3HD1  ILE  36          HD12      ILE  36  62.454   2.767  -2.278
  271    H    SER  37           HN       SER  37  60.430   5.659  -4.933
  272    HA   SER  37           HA       SER  37  61.487   8.272  -4.048
  273   1HB   SER  37           HB2      SER  37  59.111   7.441  -5.021
  274   2HB   SER  37           HB1      SER  37  58.783   7.263  -3.299
  275    HG   SER  37           HG       SER  37  58.714   9.354  -3.137
  276    H    THR  38           HN       THR  38  62.113   8.692  -1.950
  277    HA   THR  38           HA       THR  38  62.794   6.784  -0.055
  278    HB   THR  38           HB       THR  38  62.780   8.658   1.515
  279    HG1  THR  38           HG1      THR  38  61.769  10.648   0.379
  280   1HG2  THR  38          HG21      THR  38  63.885   8.749  -1.116
  281   2HG2  THR  38          HG23      THR  38  63.393  10.384  -0.675
  282   3HG2  THR  38          HG22      THR  38  64.512   9.491   0.355
  283    H    LYS  39           HN       LYS  39  59.720   8.638  -0.057
  284    HA   LYS  39           HA       LYS  39  58.458   7.398   2.127
  285   1HB   LYS  39           HB2      LYS  39  57.676   8.798  -0.375
  286   2HB   LYS  39           HB1      LYS  39  56.399   7.883   0.428
  287   1HG   LYS  39           HG2      LYS  39  57.100   9.056   2.586
  288   2HG   LYS  39           HG1      LYS  39  58.070  10.127   1.575
  289   1HD   LYS  39           HD2      LYS  39  55.181   9.672   0.893
  290   2HD   LYS  39           HD1      LYS  39  55.602  10.804   2.179
  291   1HE   LYS  39           HE2      LYS  39  56.180  12.372   0.652
  292   2HE   LYS  39           HE1      LYS  39  57.314  11.243  -0.118
  293   1HZ   LYS  39           HZ2      LYS  39  54.388  10.998  -0.484
  294   2HZ   LYS  39           HZ1      LYS  39  55.322  11.993  -1.495
  295   3HZ   LYS  39           HZ3      LYS  39  55.631  10.327  -1.429
  296    H    GLU  40           HN       GLU  40  59.020   6.141  -1.106
  297    HA   GLU  40           HA       GLU  40  57.085   3.956  -0.865
  298   1HB   GLU  40           HB2      GLU  40  59.387   4.542  -2.756
  299   2HB   GLU  40           HB1      GLU  40  58.203   3.257  -2.995
  300   1HG   GLU  40           HG2      GLU  40  57.418   6.158  -2.648
  301   2HG   GLU  40           HG1      GLU  40  57.712   5.429  -4.227
  302    H    LEU  41           HN       LEU  41  60.621   4.323  -0.554
  303    HA   LEU  41           HA       LEU  41  61.510   1.713  -0.316
  304   1HB   LEU  41           HB2      LEU  41  62.489   4.199   0.177
  305   2HB   LEU  41           HB1      LEU  41  62.368   3.585   1.826
  306    HG   LEU  41           HG       LEU  41  63.857   2.307  -0.483
  307   1HD1  LEU  41          HD12      LEU  41  64.587   4.166   1.572
  308   2HD1  LEU  41          HD11      LEU  41  65.397   2.633   1.895
  309   3HD1  LEU  41          HD13      LEU  41  65.619   3.438   0.342
  310   1HD2  LEU  41          HD21      LEU  41  62.940   1.263   2.166
  311   2HD2  LEU  41          HD23      LEU  41  63.123   0.416   0.630
  312   3HD2  LEU  41          HD22      LEU  41  64.543   0.790   1.606
  313    H    GLY  42           HN       GLY  42  59.713   3.577   2.127
  314   1HA   GLY  42           HA2      GLY  42  59.896   1.936   4.359
  315   2HA   GLY  42           HA1      GLY  42  58.410   2.781   3.924
  316    H    LYS  43           HN       LYS  43  57.174   1.632   2.046
  317    HA   LYS  43           HA       LYS  43  56.224  -0.871   2.872
  318   1HB   LYS  43           HB2      LYS  43  55.890   0.963   0.746
  319   2HB   LYS  43           HB1      LYS  43  56.175  -0.605  -0.010
  320   1HG   LYS  43           HG2      LYS  43  54.200  -1.460   0.724
  321   2HG   LYS  43           HG1      LYS  43  54.343  -0.682   2.301
  322   1HD   LYS  43           HD2      LYS  43  53.511   1.390   1.472
  323   2HD   LYS  43           HD1      LYS  43  53.704   0.879  -0.207
  324   1HE   LYS  43           HE2      LYS  43  51.320   0.763   0.524
  325   2HE   LYS  43           HE1      LYS  43  51.950  -0.846   0.119
  326   1HZ   LYS  43           HZ3      LYS  43  52.400   0.089   2.841
  327   2HZ   LYS  43           HZ2      LYS  43  50.798  -0.316   2.446
  328   3HZ   LYS  43           HZ1      LYS  43  52.035  -1.469   2.278
  329    H    VAL  44           HN       VAL  44  58.845  -0.159   0.559
  330    HA   VAL  44           HA       VAL  44  59.373  -2.828  -0.284
  331    HB   VAL  44           HB       VAL  44  60.913  -0.248  -0.059
  332   1HG1  VAL  44          HG13      VAL  44  61.965  -2.920  -1.028
  333   2HG1  VAL  44          HG12      VAL  44  62.730  -1.372  -1.387
  334   3HG1  VAL  44          HG11      VAL  44  62.617  -1.935   0.280
  335   1HG2  VAL  44          HG22      VAL  44  59.120  -1.325  -1.904
  336   2HG2  VAL  44          HG21      VAL  44  60.202   0.038  -2.187
  337   3HG2  VAL  44          HG23      VAL  44  60.699  -1.591  -2.645
  338    H    MET  45           HN       MET  45  60.566  -0.967   2.509
  339    HA   MET  45           HA       MET  45  62.491  -2.911   3.409
  340   1HB   MET  45           HB2      MET  45  61.024  -0.538   4.506
  341   2HB   MET  45           HB1      MET  45  61.910  -1.567   5.630
  342   1HG   MET  45           HG2      MET  45  63.529  -1.077   3.297
  343   2HG   MET  45           HG1      MET  45  62.969   0.459   3.960
  344   1HE   MET  45           HE1      MET  45  65.712  -0.062   3.661
  345   2HE   MET  45           HE3      MET  45  65.532   1.248   4.836
  346   3HE   MET  45           HE2      MET  45  66.635  -0.086   5.161
  347    H    ARG  46           HN       ARG  46  59.023  -2.743   3.623
  348    HA   ARG  46           HA       ARG  46  58.794  -4.536   5.935
  349   1HB   ARG  46           HB2      ARG  46  56.691  -3.785   3.889
  350   2HB   ARG  46           HB1      ARG  46  56.449  -4.211   5.584
  351   1HG   ARG  46           HG2      ARG  46  58.175  -2.094   5.801
  352   2HG   ARG  46           HG1      ARG  46  57.225  -1.629   4.389
  353   1HD   ARG  46           HD2      ARG  46  55.554  -2.726   6.534
  354   2HD   ARG  46           HD1      ARG  46  56.434  -1.263   7.024
  355    HE   ARG  46           HE       ARG  46  54.875  -1.358   4.468
  356   1HH1  ARG  46          HH21      ARG  46  56.382   1.107   4.893
  357   2HH1  ARG  46          HH22      ARG  46  55.264   2.127   5.735
  358   1HH2  ARG  46          HH11      ARG  46  53.173  -0.480   6.661
  359   2HH2  ARG  46          HH12      ARG  46  53.447   1.229   6.736
  360    H    MET  47           HN       MET  47  58.269  -4.797   2.405
  361    HA   MET  47           HA       MET  47  57.329  -7.400   2.162
  362   1HB   MET  47           HB2      MET  47  59.299  -5.745   0.584
  363   2HB   MET  47           HB1      MET  47  58.804  -7.343   0.024
  364   1HG   MET  47           HG2      MET  47  56.434  -5.994   0.791
  365   2HG   MET  47           HG1      MET  47  57.374  -4.850  -0.168
  366   1HE   MET  47           HE2      MET  47  58.164  -5.152  -2.513
  367   2HE   MET  47           HE1      MET  47  59.074  -6.584  -2.036
  368   3HE   MET  47           HE3      MET  47  58.039  -6.627  -3.470
  369    H    LEU  48           HN       LEU  48  60.515  -6.374   3.200
  370    HA   LEU  48           HA       LEU  48  61.585  -9.142   2.985
  371   1HB   LEU  48           HB2      LEU  48  62.699  -6.392   3.544
  372   2HB   LEU  48           HB1      LEU  48  63.667  -7.839   3.822
  373    HG   LEU  48           HG       LEU  48  62.618  -8.310   1.317
  374   1HD1  LEU  48          HD12      LEU  48  63.211  -5.355   1.630
  375   2HD1  LEU  48          HD11      LEU  48  63.131  -6.177   0.072
  376   3HD1  LEU  48          HD13      LEU  48  61.698  -6.085   1.094
  377   1HD2  LEU  48          HD21      LEU  48  64.955  -8.649   2.071
  378   2HD2  LEU  48          HD23      LEU  48  64.897  -7.800   0.525
  379   3HD2  LEU  48          HD22      LEU  48  65.220  -6.907   2.011
  380    H    GLY  49           HN       GLY  49  59.805  -7.390   5.190
  381   1HA   GLY  49           HA2      GLY  49  59.213  -8.097   7.389
  382   2HA   GLY  49           HA1      GLY  49  60.593  -9.196   7.379
  383    H    GLN  50           HN       GLN  50  60.407  -5.669   6.836
  384    HA   GLN  50           HA       GLN  50  62.065  -5.262   9.286
  385   1HB   GLN  50           HB2      GLN  50  62.877  -5.119   6.498
  386   2HB   GLN  50           HB1      GLN  50  63.111  -3.567   7.302
  387   1HG   GLN  50           HG2      GLN  50  65.026  -4.436   8.128
  388   2HG   GLN  50           HG1      GLN  50  64.000  -5.408   9.184
  389   1HE2  GLN  50          HE22      GLN  50  65.686  -7.157   5.870
  390   2HE2  GLN  50          HE21      GLN  50  65.580  -5.466   5.958
  391    H    ASN  51           HN       ASN  51  61.493  -3.382  10.360
  392    HA   ASN  51           HA       ASN  51  59.999  -1.264   8.897
  393   1HB   ASN  51           HB2      ASN  51  58.211  -1.372  10.624
  394   2HB   ASN  51           HB1      ASN  51  58.340  -2.884   9.724
  395   1HD2  ASN  51          HD22      ASN  51  58.233  -3.796  13.329
  396   2HD2  ASN  51          HD21      ASN  51  57.170  -3.065  12.226
  397    HA   PRO  52           HA       PRO  52  63.004   0.362  11.985
  398   1HB   PRO  52           HB2      PRO  52  63.984   2.328  10.353
  399   2HB   PRO  52           HB1      PRO  52  64.611   0.668  10.349
  400   1HG   PRO  52           HG2      PRO  52  62.728   1.984   8.460
  401   2HG   PRO  52           HG1      PRO  52  64.020   0.816   8.139
  402   1HD   PRO  52           HD2      PRO  52  61.366   0.160   8.241
  403   2HD   PRO  52           HD1      PRO  52  62.683  -0.981   8.592
  404    H    THR  53           HN       THR  53  63.337   3.115  12.059
  405    HA   THR  53           HA       THR  53  60.551   4.046  12.587
  406    HB   THR  53           HB       THR  53  61.933   5.816  13.881
  407    HG1  THR  53           HG1      THR  53  64.054   5.199  14.275
  408   1HG2  THR  53          HG22      THR  53  61.909   2.868  14.538
  409   2HG2  THR  53          HG21      THR  53  62.496   4.077  15.679
  410   3HG2  THR  53          HG23      THR  53  60.821   4.124  15.129
  411    HA   PRO  54           HA       PRO  54  60.719   7.081   9.425
  412   1HB   PRO  54           HB2      PRO  54  59.521   9.235  10.611
  413   2HB   PRO  54           HB1      PRO  54  58.627   7.783  10.119
  414   1HG   PRO  54           HG2      PRO  54  59.565   8.603  12.818
  415   2HG   PRO  54           HG1      PRO  54  58.071   7.783  12.341
  416   1HD   PRO  54           HD2      PRO  54  60.231   6.510  13.445
  417   2HD   PRO  54           HD1      PRO  54  59.038   5.716  12.394
  418    H    GLU  55           HN       GLU  55  61.424   8.749  12.527
  419    HA   GLU  55           HA       GLU  55  63.026  10.834  11.563
  420   1HB   GLU  55           HB2      GLU  55  62.214  10.489  13.887
  421   2HB   GLU  55           HB1      GLU  55  63.381   9.181  14.084
  422   1HG   GLU  55           HG2      GLU  55  65.000  11.180  13.175
  423   2HG   GLU  55           HG1      GLU  55  63.812  12.104  14.093
  424    H    GLU  56           HN       GLU  56  63.859   7.432  11.965
  425    HA   GLU  56           HA       GLU  56  66.730   7.762  11.739
  426   1HB   GLU  56           HB2      GLU  56  64.703   5.653  11.915
  427   2HB   GLU  56           HB1      GLU  56  66.062   5.202  10.884
  428   1HG   GLU  56           HG2      GLU  56  66.879   6.551  13.361
  429   2HG   GLU  56           HG1      GLU  56  66.038   5.025  13.639
  430    H    LEU  57           HN       LEU  57  64.289   6.547   9.403
  431    HA   LEU  57           HA       LEU  57  65.957   6.307   7.149
  432   1HB   LEU  57           HB2      LEU  57  63.118   6.516   7.806
  433   2HB   LEU  57           HB1      LEU  57  63.477   7.199   6.220
  434    HG   LEU  57           HG       LEU  57  64.977   4.909   6.169
  435   1HD1  LEU  57          HD12      LEU  57  63.691   4.431   8.424
  436   2HD1  LEU  57          HD11      LEU  57  62.371   3.992   7.341
  437   3HD1  LEU  57          HD13      LEU  57  63.912   3.138   7.245
  438   1HD2  LEU  57          HD21      LEU  57  62.448   5.874   5.063
  439   2HD2  LEU  57          HD23      LEU  57  63.744   4.980   4.271
  440   3HD2  LEU  57          HD22      LEU  57  62.498   4.115   5.169
  441    H    GLN  58           HN       GLN  58  64.018   9.159   8.138
  442    HA   GLN  58           HA       GLN  58  64.901  10.874   6.018
  443   1HB   GLN  58           HB2      GLN  58  62.929  11.392   7.267
  444   2HB   GLN  58           HB1      GLN  58  63.792  11.296   8.802
  445   1HG   GLN  58           HG2      GLN  58  63.399  13.647   8.138
  446   2HG   GLN  58           HG1      GLN  58  65.123  13.274   8.196
  447   1HE2  GLN  58          HE22      GLN  58  63.513  13.360   4.410
  448   2HE2  GLN  58          HE21      GLN  58  62.671  12.563   5.649
  449    H    GLU  59           HN       GLU  59  66.242  10.129   9.210
  450    HA   GLU  59           HA       GLU  59  68.156  12.254   9.359
  451   1HB   GLU  59           HB2      GLU  59  67.468  10.847  11.245
  452   2HB   GLU  59           HB1      GLU  59  68.144   9.423  10.453
  453   1HG   GLU  59           HG2      GLU  59  70.382  10.641  10.449
  454   2HG   GLU  59           HG1      GLU  59  69.639  11.824  11.526
  455    H    MET  60           HN       MET  60  68.216   9.102   7.754
  456    HA   MET  60           HA       MET  60  71.063   9.486   6.979
  457   1HB   MET  60           HB2      MET  60  69.039   7.243   6.834
  458   2HB   MET  60           HB1      MET  60  70.606   7.133   6.031
  459   1HG   MET  60           HG2      MET  60  71.664   6.709   7.977
  460   2HG   MET  60           HG1      MET  60  70.882   8.077   8.770
  461   1HE   MET  60           HE1      MET  60  70.026   5.032   6.934
  462   2HE   MET  60           HE3      MET  60  69.125   3.959   8.015
  463   3HE   MET  60           HE2      MET  60  68.307   5.300   7.216
  464    H    ILE  61           HN       ILE  61  67.822   9.165   5.528
  465    HA   ILE  61           HA       ILE  61  68.515   9.128   2.792
  466    HB   ILE  61           HB       ILE  61  66.216  10.285   4.382
  467   1HG1  ILE  61          HG12      ILE  61  66.320   7.927   2.481
  468   2HG1  ILE  61          HG11      ILE  61  66.646   7.779   4.208
  469   1HG2  ILE  61          HG22      ILE  61  66.737  10.357   1.422
  470   2HG2  ILE  61          HG21      ILE  61  65.085  10.175   2.010
  471   3HG2  ILE  61          HG23      ILE  61  66.028  11.597   2.458
  472   1HD1  ILE  61          HD11      ILE  61  64.145   9.184   3.354
  473   2HD1  ILE  61          HD13      ILE  61  64.193   7.424   3.255
  474   3HD1  ILE  61          HD12      ILE  61  64.453   8.226   4.804
  475    H    ASP  62           HN       ASP  62  67.693  12.019   4.756
  476    HA   ASP  62           HA       ASP  62  68.116  14.078   2.979
  477   1HB   ASP  62           HB2      ASP  62  67.618  14.015   5.529
  478   2HB   ASP  62           HB1      ASP  62  69.370  14.089   5.725
  479    H    GLU  63           HN       GLU  63  70.609  12.048   4.467
  480    HA   GLU  63           HA       GLU  63  72.776  13.637   3.222
  481   1HB   GLU  63           HB2      GLU  63  73.459  12.973   5.318
  482   2HB   GLU  63           HB1      GLU  63  72.408  11.560   5.321
  483   1HG   GLU  63           HG2      GLU  63  74.719  10.814   5.271
  484   2HG   GLU  63           HG1      GLU  63  73.974  10.457   3.712
  485    H    VAL  64           HN       VAL  64  70.901  10.758   2.666
  486    HA   VAL  64           HA       VAL  64  72.836   9.612   0.746
  487    HB   VAL  64           HB       VAL  64  70.110   8.884   1.835
  488   1HG1  VAL  64          HG12      VAL  64  71.609   7.781  -0.513
  489   2HG1  VAL  64          HG11      VAL  64  70.722   6.663   0.523
  490   3HG1  VAL  64          HG13      VAL  64  69.872   7.980  -0.286
  491   1HG2  VAL  64          HG21      VAL  64  72.943   8.075   2.267
  492   2HG2  VAL  64          HG23      VAL  64  71.611   8.168   3.419
  493   3HG2  VAL  64          HG22      VAL  64  71.736   6.789   2.326
  494    H    ASP  65           HN       ASP  65  69.729  11.322   0.748
  495    HA   ASP  65           HA       ASP  65  69.400  11.067  -2.163
  496   1HB   ASP  65           HB2      ASP  65  67.311  12.144  -1.734
  497   2HB   ASP  65           HB1      ASP  65  67.598  11.111  -0.333
  498    H    GLU  66           HN       GLU  66  71.772  12.580  -0.912
  499    HA   GLU  66           HA       GLU  66  71.321  15.389  -1.592
  500   1HB   GLU  66           HB2      GLU  66  73.000  13.985   0.036
  501   2HB   GLU  66           HB1      GLU  66  74.063  14.301  -1.337
  502   1HG   GLU  66           HG2      GLU  66  74.379  16.378  -0.528
  503   2HG   GLU  66           HG1      GLU  66  72.683  16.714  -0.882
  504    H    ASP  67           HN       ASP  67  71.145  13.107  -3.734
  505    HA   ASP  67           HA       ASP  67  73.119  14.309  -5.645
  506   1HB   ASP  67           HB2      ASP  67  71.954  11.522  -5.373
  507   2HB   ASP  67           HB1      ASP  67  72.937  12.034  -6.745
  508    H    GLY  68           HN       GLY  68  69.798  13.167  -5.168
  509   1HA   GLY  68           HA2      GLY  68  69.066  14.545  -7.721
  510   2HA   GLY  68           HA1      GLY  68  68.309  13.027  -7.237
  511    H    SER  69           HN       SER  69  66.694  13.063  -5.649
  512    HA   SER  69           HA       SER  69  66.145  15.390  -4.002
  513   1HB   SER  69           HB2      SER  69  65.181  15.264  -6.738
  514   2HB   SER  69           HB1      SER  69  63.831  15.332  -5.607
  515    HG   SER  69           HG       SER  69  64.293  17.369  -5.446
  516    H    GLY  70           HN       GLY  70  66.141  13.393  -2.597
  517   1HA   GLY  70           HA2      GLY  70  64.920  11.882  -1.279
  518   2HA   GLY  70           HA1      GLY  70  63.457  12.557  -1.997
  519    H    THR  71           HN       THR  71  66.235  10.699  -3.295
  520    HA   THR  71           HA       THR  71  64.392   8.521  -4.097
  521    HB   THR  71           HB       THR  71  65.291   8.805  -6.490
  522    HG1  THR  71           HG1      THR  71  66.966  10.235  -5.964
  523   1HG2  THR  71          HG23      THR  71  63.020   9.632  -5.401
  524   2HG2  THR  71          HG22      THR  71  63.712  11.224  -5.715
  525   3HG2  THR  71          HG21      THR  71  63.453  10.097  -7.047
  526    H    VAL  72           HN       VAL  72  65.480   6.618  -3.813
  527    HA   VAL  72           HA       VAL  72  68.467   6.706  -3.671
  528    HB   VAL  72           HB       VAL  72  67.941   4.396  -2.525
  529   1HG1  VAL  72          HG11      VAL  72  67.566   7.171  -1.460
  530   2HG1  VAL  72          HG13      VAL  72  67.304   5.788  -0.396
  531   3HG1  VAL  72          HG12      VAL  72  68.877   6.024  -1.163
  532   1HG2  VAL  72          HG23      VAL  72  65.439   4.766  -3.292
  533   2HG2  VAL  72          HG22      VAL  72  65.784   4.050  -1.718
  534   3HG2  VAL  72          HG21      VAL  72  65.356   5.758  -1.836
  535    H    ASP  73           HN       ASP  73  69.683   5.097  -4.741
  536    HA   ASP  73           HA       ASP  73  68.224   3.653  -6.927
  537   1HB   ASP  73           HB2      ASP  73  70.270   3.945  -8.206
  538   2HB   ASP  73           HB1      ASP  73  69.850   5.509  -7.506
  539    H    PHE  74           HN       PHE  74  69.416   1.555  -7.547
  540    HA   PHE  74           HA       PHE  74  69.530  -0.300  -5.485
  541   1HB   PHE  74           HB2      PHE  74  70.098  -0.160  -8.228
  542   2HB   PHE  74           HB1      PHE  74  71.579  -0.788  -7.504
  543    HD1  PHE  74           HD2      PHE  74  71.086  -2.574  -5.522
  544    HD2  PHE  74           HD1      PHE  74  68.506  -1.732  -8.850
  545    HE1  PHE  74           HE2      PHE  74  70.015  -4.795  -5.253
  546    HE2  PHE  74           HE1      PHE  74  67.434  -3.953  -8.583
  547    HZ   PHE  74           HZ       PHE  74  68.189  -5.485  -6.784
  548    H    ASP  75           HN       ASP  75  71.936   2.096  -6.324
  549    HA   ASP  75           HA       ASP  75  74.160   0.887  -4.905
  550   1HB   ASP  75           HB2      ASP  75  74.146   2.646  -6.767
  551   2HB   ASP  75           HB1      ASP  75  73.687   3.812  -5.526
  552    H    GLU  76           HN       GLU  76  72.104   3.732  -4.111
  553    HA   GLU  76           HA       GLU  76  73.069   3.921  -1.395
  554   1HB   GLU  76           HB2      GLU  76  70.595   4.960  -2.817
  555   2HB   GLU  76           HB1      GLU  76  71.123   5.497  -1.221
  556   1HG   GLU  76           HG2      GLU  76  73.171   6.388  -2.106
  557   2HG   GLU  76           HG1      GLU  76  72.889   5.634  -3.676
  558    H    PHE  77           HN       PHE  77  69.982   2.713  -2.771
  559    HA   PHE  77           HA       PHE  77  68.605   1.923  -0.516
  560   1HB   PHE  77           HB2      PHE  77  67.810   1.622  -2.802
  561   2HB   PHE  77           HB1      PHE  77  69.067   0.425  -3.116
  562    HD1  PHE  77           HD1      PHE  77  66.734   0.955  -0.227
  563    HD2  PHE  77           HD2      PHE  77  68.092  -1.687  -3.329
  564    HE1  PHE  77           HE1      PHE  77  65.252  -0.832   0.647
  565    HE2  PHE  77           HE2      PHE  77  66.611  -3.474  -2.456
  566    HZ   PHE  77           HZ       PHE  77  65.191  -3.046  -0.469
  567    H    LEU  78           HN       LEU  78  71.318   0.163  -2.027
  568    HA   LEU  78           HA       LEU  78  71.253  -2.086  -0.221
  569   1HB   LEU  78           HB2      LEU  78  73.016  -0.899  -2.300
  570   2HB   LEU  78           HB1      LEU  78  73.797  -1.991  -1.156
  571    HG   LEU  78           HG       LEU  78  71.289  -2.661  -2.723
  572   1HD1  LEU  78          HD11      LEU  78  73.832  -2.449  -3.748
  573   2HD1  LEU  78          HD13      LEU  78  73.782  -4.142  -3.251
  574   3HD1  LEU  78          HD12      LEU  78  72.581  -3.520  -4.384
  575   1HD2  LEU  78          HD22      LEU  78  73.027  -4.115  -0.737
  576   2HD2  LEU  78          HD21      LEU  78  71.267  -4.006  -0.797
  577   3HD2  LEU  78          HD23      LEU  78  72.128  -5.018  -1.957
  578    H    VAL  79           HN       VAL  79  73.151   0.942  -0.270
  579    HA   VAL  79           HA       VAL  79  74.785   0.360   2.009
  580    HB   VAL  79           HB       VAL  79  73.777   3.003   0.907
  581   1HG1  VAL  79          HG13      VAL  79  76.002   2.216   2.776
  582   2HG1  VAL  79          HG12      VAL  79  76.149   3.663   1.778
  583   3HG1  VAL  79          HG11      VAL  79  74.830   3.523   2.940
  584   1HG2  VAL  79          HG21      VAL  79  75.148   1.067  -0.465
  585   2HG2  VAL  79          HG23      VAL  79  75.264   2.794  -0.807
  586   3HG2  VAL  79          HG22      VAL  79  76.473   2.013   0.214
  587    H    MET  80           HN       MET  80  71.578   1.860   1.696
  588    HA   MET  80           HA       MET  80  71.368   2.655   4.474
  589   1HB   MET  80           HB2      MET  80  69.565   2.343   2.092
  590   2HB   MET  80           HB1      MET  80  68.847   2.631   3.679
  591   1HG   MET  80           HG2      MET  80  70.837   4.493   3.680
  592   2HG   MET  80           HG1      MET  80  70.425   4.454   1.966
  593   1HE   MET  80           HE2      MET  80  68.269   4.896   0.945
  594   2HE   MET  80           HE1      MET  80  67.384   3.702   1.889
  595   3HE   MET  80           HE3      MET  80  66.767   5.354   1.743
  596    H    MET  81           HN       MET  81  70.630  -0.295   2.685
  597    HA   MET  81           HA       MET  81  68.989  -1.510   4.748
  598   1HB   MET  81           HB2      MET  81  70.512  -2.473   2.317
  599   2HB   MET  81           HB1      MET  81  69.580  -3.577   3.329
  600   1HG   MET  81           HG2      MET  81  68.485  -1.108   1.948
  601   2HG   MET  81           HG1      MET  81  68.225  -2.774   1.429
  602   1HE   MET  81           HE1      MET  81  66.384  -4.045   1.933
  603   2HE   MET  81           HE3      MET  81  67.308  -4.640   3.319
  604   3HE   MET  81           HE2      MET  81  65.607  -4.221   3.505
  605    H    VAL  82           HN       VAL  82  72.261  -2.441   3.606
  606    HA   VAL  82           HA       VAL  82  72.966  -4.147   5.712
  607    HB   VAL  82           HB       VAL  82  75.262  -3.652   5.003
  608   1HG1  VAL  82          HG13      VAL  82  73.486  -4.789   3.458
  609   2HG1  VAL  82          HG12      VAL  82  73.589  -3.295   2.526
  610   3HG1  VAL  82          HG11      VAL  82  75.026  -4.290   2.758
  611   1HG2  VAL  82          HG23      VAL  82  73.947  -1.126   4.057
  612   2HG2  VAL  82          HG22      VAL  82  75.484  -1.337   4.896
  613   3HG2  VAL  82          HG21      VAL  82  75.354  -1.732   3.183
  614    H    ARG  83           HN       ARG  83  72.794  -0.642   5.691
  615    HA   ARG  83           HA       ARG  83  74.361  -0.261   8.126
  616   1HB   ARG  83           HB2      ARG  83  74.269   1.514   6.534
  617   2HB   ARG  83           HB1      ARG  83  72.510   1.419   6.422
  618   1HG   ARG  83           HG2      ARG  83  72.245   2.287   8.653
  619   2HG   ARG  83           HG1      ARG  83  73.977   2.166   8.965
  620   1HD   ARG  83           HD2      ARG  83  74.327   3.799   7.037
  621   2HD   ARG  83           HD1      ARG  83  72.572   4.069   7.068
  622    HE   ARG  83           HE       ARG  83  73.004   5.430   8.943
  623   1HH1  ARG  83          HH21      ARG  83  73.275   3.159  10.791
  624   2HH1  ARG  83          HH22      ARG  83  74.874   3.354  11.423
  625   1HH2  ARG  83          HH11      ARG  83  75.894   5.511   8.908
  626   2HH2  ARG  83          HH12      ARG  83  76.359   4.683  10.357
  627    H    CYS  84           HN       CYS  84  71.003  -0.901   7.349
  628    HA   CYS  84           HA       CYS  84  70.204  -0.354  10.179
  629   1HB   CYS  84           HB2      CYS  84  68.569  -0.869   7.672
  630   2HB   CYS  84           HB1      CYS  84  67.934  -0.348   9.232
  631    HG   CYS  84           HG       CYS  84  69.955   1.671   8.497
  632    H    MET  85           HN       MET  85  70.932  -2.902   7.993
  633    HA   MET  85           HA       MET  85  69.219  -5.001   8.736
  634   1HB   MET  85           HB2      MET  85  71.847  -4.596   7.558
  635   2HB   MET  85           HB1      MET  85  71.807  -6.077   8.516
  636   1HG   MET  85           HG2      MET  85  69.365  -5.930   7.047
  637   2HG   MET  85           HG1      MET  85  70.688  -5.622   5.924
  638   1HE   MET  85           HE2      MET  85  70.834  -7.471   4.502
  639   2HE   MET  85           HE1      MET  85  70.617  -9.171   4.907
  640   3HE   MET  85           HE3      MET  85  69.267  -8.040   5.071
  641    H    LYS  86           HN       LYS  86  72.002  -3.664  10.484
  642    HA   LYS  86           HA       LYS  86  71.318  -5.467  12.786
  643   1HB   LYS  86           HB2      LYS  86  73.902  -4.576  11.535
  644   2HB   LYS  86           HB1      LYS  86  73.874  -4.986  13.251
  645   1HG   LYS  86           HG2      LYS  86  72.456  -7.068  12.124
  646   2HG   LYS  86           HG1      LYS  86  73.692  -6.747  10.907
  647   1HD   LYS  86           HD2      LYS  86  75.348  -7.549  12.226
  648   2HD   LYS  86           HD1      LYS  86  74.742  -6.694  13.644
  649   1HE   LYS  86           HE2      LYS  86  73.138  -8.432  14.112
  650   2HE   LYS  86           HE1      LYS  86  73.463  -9.224  12.558
  651   1HZ   LYS  86           HZ1      LYS  86  75.751  -8.672  14.285
  652   2HZ   LYS  86           HZ3      LYS  86  74.718  -9.927  14.769
  653   3HZ   LYS  86           HZ2      LYS  86  75.469  -9.987  13.246
  654    H    ASP  87           HN       ASP  87  72.165  -2.228  11.698
  655    HA   ASP  87           HA       ASP  87  72.033  -0.147  12.812
  656   1HB   ASP  87           HB2      ASP  87  69.794  -1.467  13.302
  657   2HB   ASP  87           HB1      ASP  87  70.438  -1.538  14.943
  658    H    ASP  88           HN       ASP  88  72.592   0.913  14.982
  659    HA   ASP  88           HA       ASP  88  74.267   1.193  16.636
  660   1HB   ASP  88           HB2      ASP  88  72.458  -0.115  17.728
  661   2HB   ASP  88           HB1      ASP  88  73.251  -1.608  17.223
  662    H    SER  89           HN       SER  89  75.678   0.748  14.449
  663    HA   SER  89           HA       SER  89  77.326  -1.706  14.746
  664   1HB   SER  89           HB2      SER  89  76.471   0.085  12.651
  665   2HB   SER  89           HB1      SER  89  78.230  -0.019  12.652
  666    HG   SER  89           HG       SER  89  76.893  -1.683  11.466
   
  No H/Q in entry =         666
  Start of MODEL   39
    1   1H    MET   1           HT1      MET   1  84.548   6.730  -4.597
    2   2H    MET   1           HT3      MET   1  83.964   8.230  -4.061
    3   3H    MET   1           HT2      MET   1  84.926   8.145  -5.459
    4    HA   MET   1           HA       MET   1  86.866   7.624  -4.233
    5   1HB   MET   1           HB2      MET   1  85.095   9.743  -2.983
    6   2HB   MET   1           HB1      MET   1  86.821   9.607  -2.643
    7   1HG   MET   1           HG2      MET   1  86.648   9.496  -5.435
    8   2HG   MET   1           HG1      MET   1  85.492  10.745  -4.968
    9   1HE   MET   1           HE1      MET   1  85.814  12.484  -3.474
   10   2HE   MET   1           HE3      MET   1  87.281  13.464  -3.334
   11   3HE   MET   1           HE2      MET   1  86.469  13.305  -4.889
   12    H    ASP   2           HN       ASP   2  87.621   6.227  -2.692
   13    HA   ASP   2           HA       ASP   2  87.668   4.862  -0.764
   14   1HB   ASP   2           HB2      ASP   2  86.211   7.379  -0.011
   15   2HB   ASP   2           HB1      ASP   2  86.329   6.072   1.168
   16    H    ASP   3           HN       ASP   3  84.494   6.060   0.114
   17    HA   ASP   3           HA       ASP   3  82.390   4.980   0.182
   18   1HB   ASP   3           HB2      ASP   3  83.501   4.608  -2.324
   19   2HB   ASP   3           HB1      ASP   3  83.126   2.959  -1.824
   20    H    ILE   4           HN       ILE   4  83.341   4.162   2.325
   21    HA   ILE   4           HA       ILE   4  84.499   1.531   2.525
   22    HB   ILE   4           HB       ILE   4  84.186   1.894   4.877
   23   1HG1  ILE   4          HG12      ILE   4  82.586   4.136   5.199
   24   2HG1  ILE   4          HG11      ILE   4  81.752   3.237   3.932
   25   1HG2  ILE   4          HG22      ILE   4  85.450   3.701   3.319
   26   2HG2  ILE   4          HG21      ILE   4  84.246   4.754   4.062
   27   3HG2  ILE   4          HG23      ILE   4  85.371   3.849   5.076
   28   1HD1  ILE   4          HD13      ILE   4  82.744   1.744   6.332
   29   2HD1  ILE   4          HD12      ILE   4  81.277   2.710   6.484
   30   3HD1  ILE   4          HD11      ILE   4  81.354   1.404   5.301
   31    H    TYR   5           HN       TYR   5  81.215   2.688   2.203
   32    HA   TYR   5           HA       TYR   5  79.924   0.277   3.210
   33   1HB   TYR   5           HB2      TYR   5  79.075   2.669   1.555
   34   2HB   TYR   5           HB1      TYR   5  77.947   1.401   2.040
   35    HD1  TYR   5           HD1      TYR   5  77.485   0.980   4.448
   36    HD2  TYR   5           HD2      TYR   5  79.911   4.277   3.143
   37    HE1  TYR   5           HE1      TYR   5  77.241   2.042   6.675
   38    HE2  TYR   5           HE2      TYR   5  79.666   5.339   5.370
   39    HH   TYR   5           HH       TYR   5  77.562   4.961   7.365
   40    H    LYS   6           HN       LYS   6  81.195   1.349   0.114
   41    HA   LYS   6           HA       LYS   6  79.833  -0.206  -1.755
   42   1HB   LYS   6           HB2      LYS   6  81.742   1.396  -2.111
   43   2HB   LYS   6           HB1      LYS   6  82.842   0.141  -1.538
   44   1HG   LYS   6           HG2      LYS   6  82.895  -0.733  -3.608
   45   2HG   LYS   6           HG1      LYS   6  81.163  -1.052  -3.500
   46   1HD   LYS   6           HD2      LYS   6  80.635   1.128  -4.394
   47   2HD   LYS   6           HD1      LYS   6  82.325   1.627  -4.308
   48   1HE   LYS   6           HE2      LYS   6  82.833   0.602  -6.276
   49   2HE   LYS   6           HE1      LYS   6  81.914  -0.854  -5.847
   50   1HZ   LYS   6           HZ2      LYS   6  80.522   1.682  -6.427
   51   2HZ   LYS   6           HZ1      LYS   6  80.999   0.662  -7.699
   52   3HZ   LYS   6           HZ3      LYS   6  79.926   0.093  -6.515
   53    H    ALA   7           HN       ALA   7  82.243  -1.260   0.620
   54    HA   ALA   7           HA       ALA   7  82.699  -3.902  -0.355
   55   1HB   ALA   7           HB3      ALA   7  83.623  -2.327   1.653
   56   2HB   ALA   7           HB2      ALA   7  82.583  -3.412   2.576
   57   3HB   ALA   7           HB1      ALA   7  83.897  -4.069   1.600
   58    H    ALA   8           HN       ALA   8  80.082  -2.522   1.573
   59    HA   ALA   8           HA       ALA   8  78.880  -4.833   2.641
   60   1HB   ALA   8           HB2      ALA   8  77.649  -2.327   1.442
   61   2HB   ALA   8           HB1      ALA   8  76.808  -3.439   2.522
   62   3HB   ALA   8           HB3      ALA   8  78.196  -2.522   3.107
   63    H    VAL   9           HN       VAL   9  77.860  -3.235  -0.405
   64    HA   VAL   9           HA       VAL   9  76.215  -5.339  -1.352
   65    HB   VAL   9           HB       VAL   9  77.892  -3.327  -2.887
   66   1HG1  VAL   9          HG11      VAL   9  75.852  -5.298  -3.649
   67   2HG1  VAL   9          HG13      VAL   9  75.478  -3.660  -4.188
   68   3HG1  VAL   9          HG12      VAL   9  76.999  -4.419  -4.661
   69   1HG2  VAL   9          HG22      VAL   9  75.669  -3.029  -1.050
   70   2HG2  VAL   9          HG21      VAL   9  76.613  -1.778  -1.858
   71   3HG2  VAL   9          HG23      VAL   9  75.213  -2.484  -2.664
   72    H    GLU  10           HN       GLU  10  79.661  -5.139  -1.166
   73    HA   GLU  10           HA       GLU  10  80.259  -6.972  -3.352
   74   1HB   GLU  10           HB2      GLU  10  81.599  -5.241  -1.535
   75   2HB   GLU  10           HB1      GLU  10  82.285  -6.851  -1.312
   76   1HG   GLU  10           HG2      GLU  10  83.549  -6.378  -3.132
   77   2HG   GLU  10           HG1      GLU  10  82.076  -6.665  -4.060
   78    H    GLN  11           HN       GLN  11  78.713  -7.484  -0.460
   79    HA   GLN  11           HA       GLN  11  79.914 -10.204  -0.083
   80   1HB   GLN  11           HB2      GLN  11  79.014  -8.050   1.651
   81   2HB   GLN  11           HB1      GLN  11  78.204  -9.564   2.052
   82   1HG   GLN  11           HG2      GLN  11  80.095  -9.981   3.253
   83   2HG   GLN  11           HG1      GLN  11  80.764 -10.435   1.687
   84   1HE2  GLN  11          HE22      GLN  11  82.857  -7.741   3.420
   85   2HE2  GLN  11          HE21      GLN  11  82.193  -9.185   4.018
   86    H    LEU  12           HN       LEU  12  77.178  -8.568  -1.293
   87    HA   LEU  12           HA       LEU  12  75.235 -10.696  -0.666
   88   1HB   LEU  12           HB2      LEU  12  75.085  -8.272  -2.489
   89   2HB   LEU  12           HB1      LEU  12  73.717  -9.211  -1.892
   90    HG   LEU  12           HG       LEU  12  75.684  -7.778  -0.089
   91   1HD1  LEU  12          HD11      LEU  12  74.217  -6.320  -1.641
   92   2HD1  LEU  12          HD13      LEU  12  72.855  -6.908  -0.688
   93   3HD1  LEU  12          HD12      LEU  12  74.142  -5.987   0.089
   94   1HD2  LEU  12          HD23      LEU  12  73.199  -9.413   0.284
   95   2HD2  LEU  12          HD22      LEU  12  74.678  -9.393   1.245
   96   3HD2  LEU  12          HD21      LEU  12  73.506  -8.084   1.403
   97    H    THR  13           HN       THR  13  74.912 -12.456  -1.974
   98    HA   THR  13           HA       THR  13  76.381 -12.641  -4.534
   99    HB   THR  13           HB       THR  13  74.734 -14.914  -3.956
  100    HG1  THR  13           HG1      THR  13  74.718 -14.962  -1.875
  101   1HG2  THR  13          HG23      THR  13  77.023 -14.790  -5.022
  102   2HG2  THR  13          HG22      THR  13  77.685 -14.525  -3.409
  103   3HG2  THR  13          HG21      THR  13  76.854 -16.035  -3.784
  104    H    GLU  14           HN       GLU  14  75.097 -13.692  -6.405
  105    HA   GLU  14           HA       GLU  14  73.117 -12.033  -7.429
  106   1HB   GLU  14           HB2      GLU  14  74.446 -14.094  -8.368
  107   2HB   GLU  14           HB1      GLU  14  73.026 -15.010  -7.863
  108   1HG   GLU  14           HG2      GLU  14  71.734 -13.074  -9.133
  109   2HG   GLU  14           HG1      GLU  14  73.270 -12.913  -9.985
  110    H    GLU  15           HN       GLU  15  72.532 -15.103  -5.666
  111    HA   GLU  15           HA       GLU  15  69.739 -15.123  -5.625
  112   1HB   GLU  15           HB2      GLU  15  71.820 -16.507  -4.472
  113   2HB   GLU  15           HB1      GLU  15  71.047 -15.779  -3.064
  114   1HG   GLU  15           HG2      GLU  15  69.214 -17.101  -3.245
  115   2HG   GLU  15           HG1      GLU  15  69.137 -16.899  -4.995
  116    H    GLN  16           HN       GLN  16  71.910 -13.444  -3.322
  117    HA   GLN  16           HA       GLN  16  69.734 -12.254  -1.811
  118   1HB   GLN  16           HB2      GLN  16  72.716 -12.063  -2.004
  119   2HB   GLN  16           HB1      GLN  16  71.859 -10.782  -1.147
  120   1HG   GLN  16           HG2      GLN  16  70.714 -12.541   0.225
  121   2HG   GLN  16           HG1      GLN  16  71.730 -13.752  -0.557
  122   1HE2  GLN  16          HE22      GLN  16  74.716 -12.713   1.156
  123   2HE2  GLN  16          HE21      GLN  16  74.158 -13.445  -0.270
  124    H    LYS  17           HN       LYS  17  72.079 -10.927  -4.181
  125    HA   LYS  17           HA       LYS  17  71.117  -8.276  -4.290
  126   1HB   LYS  17           HB2      LYS  17  72.509 -10.177  -6.148
  127   2HB   LYS  17           HB1      LYS  17  71.997  -8.608  -6.770
  128   1HG   LYS  17           HG2      LYS  17  73.171  -8.051  -4.281
  129   2HG   LYS  17           HG1      LYS  17  74.233  -9.243  -5.032
  130   1HD   LYS  17           HD2      LYS  17  73.380  -7.292  -6.990
  131   2HD   LYS  17           HD1      LYS  17  74.112  -6.486  -5.603
  132   1HE   LYS  17           HE2      LYS  17  75.632  -8.858  -6.345
  133   2HE   LYS  17           HE1      LYS  17  75.501  -7.719  -7.699
  134   1HZ   LYS  17           HZ2      LYS  17  75.974  -6.627  -5.025
  135   2HZ   LYS  17           HZ1      LYS  17  77.283  -7.379  -5.807
  136   3HZ   LYS  17           HZ3      LYS  17  76.507  -6.059  -6.536
  137    H    ASN  18           HN       ASN  18  69.919 -11.194  -5.921
  138    HA   ASN  18           HA       ASN  18  68.039  -9.810  -7.643
  139   1HB   ASN  18           HB2      ASN  18  68.749 -11.960  -8.310
  140   2HB   ASN  18           HB1      ASN  18  68.530 -12.631  -6.695
  141   1HD2  ASN  18          HD22      ASN  18  65.366 -13.846  -7.616
  142   2HD2  ASN  18          HD21      ASN  18  66.847 -14.123  -6.834
  143    H    GLU  19           HN       GLU  19  67.659 -11.659  -4.591
  144    HA   GLU  19           HA       GLU  19  64.884 -11.387  -4.231
  145   1HB   GLU  19           HB2      GLU  19  66.180 -12.780  -2.790
  146   2HB   GLU  19           HB1      GLU  19  67.247 -11.448  -2.343
  147   1HG   GLU  19           HG2      GLU  19  65.614 -10.431  -0.984
  148   2HG   GLU  19           HG1      GLU  19  64.296 -11.325  -1.743
  149    H    PHE  20           HN       PHE  20  67.469  -9.125  -3.226
  150    HA   PHE  20           HA       PHE  20  65.710  -7.187  -2.024
  151   1HB   PHE  20           HB2      PHE  20  68.511  -7.595  -2.641
  152   2HB   PHE  20           HB1      PHE  20  68.046  -5.931  -2.992
  153    HD1  PHE  20           HD2      PHE  20  66.070  -5.224  -1.055
  154    HD2  PHE  20           HD1      PHE  20  69.530  -7.718  -0.548
  155    HE1  PHE  20           HE2      PHE  20  66.087  -4.706   1.371
  156    HE2  PHE  20           HE1      PHE  20  69.548  -7.200   1.878
  157    HZ   PHE  20           HZ       PHE  20  67.826  -5.694   2.837
  158    H    LYS  21           HN       LYS  21  66.930  -7.647  -5.321
  159    HA   LYS  21           HA       LYS  21  66.144  -5.106  -6.391
  160   1HB   LYS  21           HB2      LYS  21  67.705  -6.763  -7.409
  161   2HB   LYS  21           HB1      LYS  21  66.334  -7.830  -7.714
  162   1HG   LYS  21           HG2      LYS  21  65.308  -6.190  -9.179
  163   2HG   LYS  21           HG1      LYS  21  66.548  -5.000  -8.777
  164   1HD   LYS  21           HD2      LYS  21  67.653  -7.547  -9.732
  165   2HD   LYS  21           HD1      LYS  21  66.650  -6.727 -10.929
  166   1HE   LYS  21           HE2      LYS  21  68.167  -5.042 -11.209
  167   2HE   LYS  21           HE1      LYS  21  68.505  -4.943  -9.470
  168   1HZ   LYS  21           HZ3      LYS  21  69.648  -7.137  -9.709
  169   2HZ   LYS  21           HZ2      LYS  21  69.522  -6.960 -11.395
  170   3HZ   LYS  21           HZ1      LYS  21  70.431  -5.849 -10.487
  171    H    ALA  22           HN       ALA  22  64.456  -8.268  -6.379
  172    HA   ALA  22           HA       ALA  22  62.124  -7.495  -7.783
  173   1HB   ALA  22           HB2      ALA  22  62.978  -9.578  -5.854
  174   2HB   ALA  22           HB1      ALA  22  61.235  -9.345  -5.993
  175   3HB   ALA  22           HB3      ALA  22  62.186  -9.755  -7.420
  176    H    ALA  23           HN       ALA  23  63.199  -6.521  -4.656
  177    HA   ALA  23           HA       ALA  23  60.444  -5.649  -3.881
  178   1HB   ALA  23           HB1      ALA  23  62.744  -6.767  -2.552
  179   2HB   ALA  23           HB3      ALA  23  62.352  -5.206  -1.830
  180   3HB   ALA  23           HB2      ALA  23  61.132  -6.479  -1.898
  181    H    PHE  24           HN       PHE  24  63.268  -4.466  -5.301
  182    HA   PHE  24           HA       PHE  24  62.831  -1.707  -4.220
  183   1HB   PHE  24           HB2      PHE  24  65.066  -2.453  -3.879
  184   2HB   PHE  24           HB1      PHE  24  65.151  -3.176  -5.486
  185    HD1  PHE  24           HD2      PHE  24  65.068  -1.644  -7.521
  186    HD2  PHE  24           HD1      PHE  24  65.682  -0.190  -3.527
  187    HE1  PHE  24           HE2      PHE  24  65.970   0.478  -8.433
  188    HE2  PHE  24           HE1      PHE  24  66.583   1.933  -4.438
  189    HZ   PHE  24           HZ       PHE  24  66.726   2.267  -6.891
  190    H    ASP  25           HN       ASP  25  63.349  -3.518  -7.262
  191    HA   ASP  25           HA       ASP  25  63.030  -1.291  -9.038
  192   1HB   ASP  25           HB2      ASP  25  63.605  -4.016  -9.143
  193   2HB   ASP  25           HB1      ASP  25  62.086  -3.877 -10.028
  194    H    ILE  26           HN       ILE  26  60.754  -2.804  -7.015
  195    HA   ILE  26           HA       ILE  26  58.418  -2.538  -8.751
  196    HB   ILE  26           HB       ILE  26  58.852  -3.015  -5.792
  197   1HG1  ILE  26          HG12      ILE  26  58.282  -4.777  -8.189
  198   2HG1  ILE  26          HG11      ILE  26  59.674  -4.844  -7.108
  199   1HG2  ILE  26          HG23      ILE  26  56.328  -3.033  -7.468
  200   2HG2  ILE  26          HG22      ILE  26  56.443  -3.823  -5.895
  201   3HG2  ILE  26          HG21      ILE  26  56.648  -2.077  -6.022
  202   1HD1  ILE  26          HD13      ILE  26  58.092  -5.402  -5.232
  203   2HD1  ILE  26          HD12      ILE  26  56.804  -5.524  -6.431
  204   3HD1  ILE  26          HD11      ILE  26  58.174  -6.633  -6.491
  205    H    PHE  27           HN       PHE  27  60.308  -0.175  -7.529
  206    HA   PHE  27           HA       PHE  27  58.014   1.711  -7.322
  207   1HB   PHE  27           HB2      PHE  27  60.209   1.402  -5.249
  208   2HB   PHE  27           HB1      PHE  27  58.896   2.579  -5.194
  209    HD1  PHE  27           HD2      PHE  27  56.471   1.645  -5.280
  210    HD2  PHE  27           HD1      PHE  27  59.916  -0.730  -4.308
  211    HE1  PHE  27           HE2      PHE  27  55.006  -0.036  -4.196
  212    HE2  PHE  27           HE1      PHE  27  58.450  -2.413  -3.224
  213    HZ   PHE  27           HZ       PHE  27  55.995  -2.065  -3.170
  214    H    VAL  28           HN       VAL  28  60.148   1.308  -9.339
  215    HA   VAL  28           HA       VAL  28  61.906   3.678  -8.929
  216    HB   VAL  28           HB       VAL  28  61.853   1.743 -11.252
  217   1HG1  VAL  28          HG11      VAL  28  63.761   3.732 -10.093
  218   2HG1  VAL  28          HG13      VAL  28  64.420   2.302 -10.886
  219   3HG1  VAL  28          HG12      VAL  28  63.374   3.404 -11.781
  220   1HG2  VAL  28          HG23      VAL  28  63.262   1.423  -8.583
  221   2HG2  VAL  28          HG22      VAL  28  61.923   0.432  -9.162
  222   3HG2  VAL  28          HG21      VAL  28  63.481   0.375  -9.985
  223    H    LEU  29           HN       LEU  29  58.909   3.742  -9.582
  224    HA   LEU  29           HA       LEU  29  58.632   4.651 -12.316
  225   1HB   LEU  29           HB2      LEU  29  56.406   5.362 -11.477
  226   2HB   LEU  29           HB1      LEU  29  56.806   3.733 -10.933
  227    HG   LEU  29           HG       LEU  29  57.883   5.476  -8.992
  228   1HD1  LEU  29          HD12      LEU  29  56.217   7.106 -10.157
  229   2HD1  LEU  29          HD11      LEU  29  54.968   6.134  -9.379
  230   3HD1  LEU  29          HD13      LEU  29  56.168   6.974  -8.398
  231   1HD2  LEU  29          HD21      LEU  29  56.317   3.175  -9.153
  232   2HD2  LEU  29          HD23      LEU  29  56.864   3.951  -7.666
  233   3HD2  LEU  29          HD22      LEU  29  55.275   4.334  -8.328
  234    H    GLY  30           HN       GLY  30  60.403   6.246 -12.454
  235   1HA   GLY  30           HA2      GLY  30  60.134   8.794 -12.710
  236   2HA   GLY  30           HA1      GLY  30  59.842   8.778 -10.970
  237    H    ALA  31           HN       ALA  31  61.685   9.970 -10.390
  238    HA   ALA  31           HA       ALA  31  63.962  10.298  -9.867
  239   1HB   ALA  31           HB2      ALA  31  63.570   7.328 -10.116
  240   2HB   ALA  31           HB1      ALA  31  65.187   7.963  -9.818
  241   3HB   ALA  31           HB3      ALA  31  63.888   8.285  -8.670
  242    H    GLU  32           HN       GLU  32  62.930  10.003 -12.792
  243    HA   GLU  32           HA       GLU  32  63.864   9.880 -14.979
  244   1HB   GLU  32           HB2      GLU  32  64.758  11.940 -13.388
  245   2HB   GLU  32           HB1      GLU  32  66.270  11.261 -13.991
  246   1HG   GLU  32           HG2      GLU  32  65.752  11.722 -16.211
  247   2HG   GLU  32           HG1      GLU  32  64.014  11.713 -15.914
  248    H    ASP  33           HN       ASP  33  64.726   7.612 -13.115
  249    HA   ASP  33           HA       ASP  33  66.828   6.562 -14.828
  250   1HB   ASP  33           HB2      ASP  33  67.702   8.279 -12.949
  251   2HB   ASP  33           HB1      ASP  33  67.663   6.807 -11.978
  252    H    GLY  34           HN       GLY  34  67.736   4.976 -12.368
  253   1HA   GLY  34           HA2      GLY  34  65.377   3.146 -12.268
  254   2HA   GLY  34           HA1      GLY  34  67.049   2.581 -12.235
  255    H    CYS  35           HN       CYS  35  65.409   5.206 -10.460
  256    HA   CYS  35           HA       CYS  35  66.322   3.884  -7.917
  257   1HB   CYS  35           HB2      CYS  35  66.057   6.828  -8.612
  258   2HB   CYS  35           HB1      CYS  35  66.650   6.182  -7.082
  259    HG   CYS  35           HG       CYS  35  68.166   5.494  -9.724
  260    H    ILE  36           HN       ILE  36  64.904   4.239  -6.055
  261    HA   ILE  36           HA       ILE  36  62.056   4.647  -6.872
  262    HB   ILE  36           HB       ILE  36  61.559   3.252  -4.958
  263   1HG1  ILE  36          HG12      ILE  36  64.512   3.468  -4.287
  264   2HG1  ILE  36          HG11      ILE  36  63.216   4.301  -3.427
  265   1HG2  ILE  36          HG22      ILE  36  63.422   2.467  -7.022
  266   2HG2  ILE  36          HG21      ILE  36  63.743   1.557  -5.545
  267   3HG2  ILE  36          HG23      ILE  36  62.137   1.519  -6.272
  268   1HD1  ILE  36          HD13      ILE  36  62.846   1.381  -3.749
  269   2HD1  ILE  36          HD12      ILE  36  64.178   1.862  -2.697
  270   3HD1  ILE  36          HD11      ILE  36  62.537   2.409  -2.349
  271    H    SER  37           HN       SER  37  60.678   5.633  -5.058
  272    HA   SER  37           HA       SER  37  61.858   8.194  -4.258
  273   1HB   SER  37           HB2      SER  37  59.636   8.353  -4.955
  274   2HB   SER  37           HB1      SER  37  59.188   6.823  -4.205
  275    HG   SER  37           HG       SER  37  58.883   9.240  -3.229
  276    H    THR  38           HN       THR  38  62.195   8.873  -2.090
  277    HA   THR  38           HA       THR  38  63.088   6.911  -0.208
  278    HB   THR  38           HB       THR  38  62.832   9.081   1.301
  279    HG1  THR  38           HG1      THR  38  61.978  10.680   0.278
  280   1HG2  THR  38          HG23      THR  38  64.702   8.296  -0.827
  281   2HG2  THR  38          HG22      THR  38  64.761  10.011  -0.425
  282   3HG2  THR  38          HG21      THR  38  65.031   8.802   0.830
  283    H    LYS  39           HN       LYS  39  59.935   8.208  -0.878
  284    HA   LYS  39           HA       LYS  39  58.794   7.570   1.749
  285   1HB   LYS  39           HB2      LYS  39  57.501   8.204  -0.924
  286   2HB   LYS  39           HB1      LYS  39  56.728   8.309   0.658
  287   1HG   LYS  39           HG2      LYS  39  58.068  10.147   1.317
  288   2HG   LYS  39           HG1      LYS  39  59.233   9.869   0.022
  289   1HD   LYS  39           HD2      LYS  39  57.742  10.659  -1.642
  290   2HD   LYS  39           HD1      LYS  39  56.349  10.542  -0.566
  291   1HE   LYS  39           HE2      LYS  39  56.972  12.464   0.655
  292   2HE   LYS  39           HE1      LYS  39  58.653  12.387   0.088
  293   1HZ   LYS  39           HZ1      LYS  39  57.823  12.737  -2.185
  294   2HZ   LYS  39           HZ3      LYS  39  56.253  12.940  -1.576
  295   3HZ   LYS  39           HZ2      LYS  39  57.471  14.051  -1.168
  296    H    GLU  40           HN       GLU  40  59.595   5.790  -1.052
  297    HA   GLU  40           HA       GLU  40  57.455   3.771  -0.678
  298   1HB   GLU  40           HB2      GLU  40  59.808   3.921  -2.593
  299   2HB   GLU  40           HB1      GLU  40  58.419   2.844  -2.734
  300   1HG   GLU  40           HG2      GLU  40  58.046   5.831  -2.587
  301   2HG   GLU  40           HG1      GLU  40  58.398   5.036  -4.122
  302    H    LEU  41           HN       LEU  41  60.946   4.168  -0.188
  303    HA   LEU  41           HA       LEU  41  61.888   1.610   0.238
  304   1HB   LEU  41           HB2      LEU  41  62.635   4.211   0.847
  305   2HB   LEU  41           HB1      LEU  41  62.552   3.443   2.433
  306    HG   LEU  41           HG       LEU  41  64.195   2.570   0.046
  307   1HD1  LEU  41          HD11      LEU  41  65.064   4.355   1.616
  308   2HD1  LEU  41          HD13      LEU  41  64.998   3.156   2.909
  309   3HD1  LEU  41          HD12      LEU  41  66.068   2.907   1.530
  310   1HD2  LEU  41          HD21      LEU  41  63.440   1.101   2.577
  311   2HD2  LEU  41          HD23      LEU  41  63.341   0.529   0.912
  312   3HD2  LEU  41          HD22      LEU  41  64.914   0.716   1.688
  313    H    GLY  42           HN       GLY  42  59.660   3.410   2.317
  314   1HA   GLY  42           HA2      GLY  42  59.740   1.841   4.649
  315   2HA   GLY  42           HA1      GLY  42  58.285   2.649   4.063
  316    H    LYS  43           HN       LYS  43  57.491   1.396   1.887
  317    HA   LYS  43           HA       LYS  43  56.512  -1.155   2.782
  318   1HB   LYS  43           HB2      LYS  43  56.548   0.446   0.237
  319   2HB   LYS  43           HB1      LYS  43  55.944  -1.210   0.205
  320   1HG   LYS  43           HG2      LYS  43  54.074  -0.693   1.408
  321   2HG   LYS  43           HG1      LYS  43  54.926   0.473   2.420
  322   1HD   LYS  43           HD2      LYS  43  54.649   2.208   0.896
  323   2HD   LYS  43           HD1      LYS  43  54.493   1.112  -0.477
  324   1HE   LYS  43           HE2      LYS  43  52.268   0.390   0.348
  325   2HE   LYS  43           HE1      LYS  43  52.418   1.522   1.708
  326   1HZ   LYS  43           HZ2      LYS  43  52.851   2.442  -1.061
  327   2HZ   LYS  43           HZ1      LYS  43  51.274   2.335  -0.439
  328   3HZ   LYS  43           HZ3      LYS  43  52.412   3.347   0.308
  329    H    VAL  44           HN       VAL  44  59.463  -0.205   1.263
  330    HA   VAL  44           HA       VAL  44  60.014  -2.812   0.024
  331    HB   VAL  44           HB       VAL  44  61.501  -0.215   0.461
  332   1HG1  VAL  44          HG13      VAL  44  62.576  -2.858  -0.099
  333   2HG1  VAL  44          HG12      VAL  44  62.909  -1.736  -1.420
  334   3HG1  VAL  44          HG11      VAL  44  63.432  -1.350   0.220
  335   1HG2  VAL  44          HG22      VAL  44  59.682  -0.357  -1.263
  336   2HG2  VAL  44          HG21      VAL  44  61.269  -0.017  -1.954
  337   3HG2  VAL  44          HG23      VAL  44  60.593  -1.642  -2.058
  338    H    MET  45           HN       MET  45  60.604  -1.216   3.081
  339    HA   MET  45           HA       MET  45  62.785  -2.991   3.900
  340   1HB   MET  45           HB2      MET  45  61.070  -0.844   5.138
  341   2HB   MET  45           HB1      MET  45  62.144  -1.814   6.147
  342   1HG   MET  45           HG2      MET  45  63.724  -1.101   3.956
  343   2HG   MET  45           HG1      MET  45  62.799   0.357   4.315
  344   1HE   MET  45           HE1      MET  45  65.468  -1.724   4.716
  345   2HE   MET  45           HE3      MET  45  66.359  -0.235   5.059
  346   3HE   MET  45           HE2      MET  45  66.262  -1.507   6.273
  347    H    ARG  46           HN       ARG  46  59.293  -2.704   4.581
  348    HA   ARG  46           HA       ARG  46  59.212  -4.882   6.487
  349   1HB   ARG  46           HB2      ARG  46  56.813  -4.562   6.281
  350   2HB   ARG  46           HB1      ARG  46  57.580  -2.974   6.215
  351   1HG   ARG  46           HG2      ARG  46  57.486  -3.039   3.742
  352   2HG   ARG  46           HG1      ARG  46  56.690  -4.610   3.821
  353   1HD   ARG  46           HD2      ARG  46  55.593  -2.060   5.063
  354   2HD   ARG  46           HD1      ARG  46  55.031  -2.775   3.539
  355    HE   ARG  46           HE       ARG  46  54.957  -4.305   6.114
  356   1HH1  ARG  46          HH21      ARG  46  53.141  -2.603   3.828
  357   2HH1  ARG  46          HH22      ARG  46  51.909  -3.809   3.664
  358   1HH2  ARG  46          HH11      ARG  46  53.567  -6.148   5.616
  359   2HH2  ARG  46          HH12      ARG  46  52.149  -5.816   4.678
  360    H    MET  47           HN       MET  47  59.058  -4.678   2.988
  361    HA   MET  47           HA       MET  47  57.828  -7.216   2.456
  362   1HB   MET  47           HB2      MET  47  59.283  -5.076   1.072
  363   2HB   MET  47           HB1      MET  47  59.558  -6.665   0.357
  364   1HG   MET  47           HG2      MET  47  57.298  -6.976  -0.148
  365   2HG   MET  47           HG1      MET  47  56.764  -5.823   1.073
  366   1HE   MET  47           HE3      MET  47  58.832  -6.416  -1.950
  367   2HE   MET  47           HE2      MET  47  57.280  -6.247  -2.766
  368   3HE   MET  47           HE1      MET  47  58.548  -5.059  -3.049
  369    H    LEU  48           HN       LEU  48  60.990  -6.364   3.592
  370    HA   LEU  48           HA       LEU  48  62.046  -9.072   2.873
  371   1HB   LEU  48           HB2      LEU  48  63.271  -6.399   3.577
  372   2HB   LEU  48           HB1      LEU  48  64.233  -7.879   3.559
  373    HG   LEU  48           HG       LEU  48  62.528  -7.484   1.178
  374   1HD1  LEU  48          HD13      LEU  48  64.494  -5.448   2.085
  375   2HD1  LEU  48          HD12      LEU  48  64.616  -5.947   0.397
  376   3HD1  LEU  48          HD11      LEU  48  63.106  -5.272   1.011
  377   1HD2  LEU  48          HD22      LEU  48  65.390  -8.280   1.764
  378   2HD2  LEU  48          HD21      LEU  48  64.075  -9.309   1.196
  379   3HD2  LEU  48          HD23      LEU  48  64.776  -8.101   0.120
  380    H    GLY  49           HN       GLY  49  61.122  -7.014   5.542
  381   1HA   GLY  49           HA2      GLY  49  60.555  -8.459   7.597
  382   2HA   GLY  49           HA1      GLY  49  62.221  -9.027   7.461
  383    H    GLN  50           HN       GLN  50  60.680  -5.794   7.304
  384    HA   GLN  50           HA       GLN  50  62.111  -4.927   9.723
  385   1HB   GLN  50           HB2      GLN  50  63.255  -4.721   7.096
  386   2HB   GLN  50           HB1      GLN  50  62.900  -3.095   7.683
  387   1HG   GLN  50           HG2      GLN  50  64.142  -4.956   9.640
  388   2HG   GLN  50           HG1      GLN  50  65.173  -4.409   8.318
  389   1HE2  GLN  50          HE22      GLN  50  65.608  -1.207   9.705
  390   2HE2  GLN  50          HE21      GLN  50  66.109  -2.367   8.571
  391    H    ASN  51           HN       ASN  51  61.082  -3.119  10.610
  392    HA   ASN  51           HA       ASN  51  59.168  -1.599   8.896
  393   1HB   ASN  51           HB2      ASN  51  57.494  -1.906  10.782
  394   2HB   ASN  51           HB1      ASN  51  57.874  -3.379   9.891
  395   1HD2  ASN  51          HD22      ASN  51  59.448  -4.967  12.647
  396   2HD2  ASN  51          HD21      ASN  51  59.144  -5.028  10.978
  397    HA   PRO  52           HA       PRO  52  61.636   0.951  11.927
  398   1HB   PRO  52           HB2      PRO  52  62.777   2.608  10.072
  399   2HB   PRO  52           HB1      PRO  52  63.511   1.072  10.578
  400   1HG   PRO  52           HG2      PRO  52  61.958   1.709   8.124
  401   2HG   PRO  52           HG1      PRO  52  63.364   0.656   8.328
  402   1HD   PRO  52           HD2      PRO  52  60.794  -0.257   8.111
  403   2HD   PRO  52           HD1      PRO  52  62.091  -1.137   8.947
  404    H    THR  53           HN       THR  53  61.780   3.695  11.221
  405    HA   THR  53           HA       THR  53  58.894   4.383  10.753
  406    HB   THR  53           HB       THR  53  59.550   4.554  13.114
  407    HG1  THR  53           HG1      THR  53  58.390   6.282  13.105
  408   1HG2  THR  53          HG22      THR  53  61.957   5.702  11.897
  409   2HG2  THR  53          HG21      THR  53  61.352   6.645  13.259
  410   3HG2  THR  53          HG23      THR  53  61.750   4.940  13.473
  411    HA   PRO  54           HA       PRO  54  60.403   7.134   7.672
  412   1HB   PRO  54           HB2      PRO  54  58.419   9.020   7.704
  413   2HB   PRO  54           HB1      PRO  54  58.201   7.400   7.011
  414   1HG   PRO  54           HG2      PRO  54  57.337   8.459   9.654
  415   2HG   PRO  54           HG1      PRO  54  56.500   7.356   8.550
  416   1HD   PRO  54           HD2      PRO  54  57.820   6.530  10.790
  417   2HD   PRO  54           HD1      PRO  54  57.598   5.514   9.348
  418    H    GLU  55           HN       GLU  55  60.129   7.980  10.951
  419    HA   GLU  55           HA       GLU  55  60.929  10.783  10.739
  420   1HB   GLU  55           HB2      GLU  55  61.043   8.837  13.066
  421   2HB   GLU  55           HB1      GLU  55  61.027  10.599  13.170
  422   1HG   GLU  55           HG2      GLU  55  58.800   9.329  11.656
  423   2HG   GLU  55           HG1      GLU  55  58.788   9.125  13.408
  424    H    GLU  56           HN       GLU  56  62.546   7.670  11.069
  425    HA   GLU  56           HA       GLU  56  65.169   8.928  11.613
  426   1HB   GLU  56           HB2      GLU  56  63.892   6.262  11.681
  427   2HB   GLU  56           HB1      GLU  56  65.588   6.250  11.193
  428   1HG   GLU  56           HG2      GLU  56  66.197   6.511  13.342
  429   2HG   GLU  56           HG1      GLU  56  65.343   8.055  13.385
  430    H    LEU  57           HN       LEU  57  63.354   7.574   8.932
  431    HA   LEU  57           HA       LEU  57  65.595   7.159   7.146
  432   1HB   LEU  57           HB2      LEU  57  62.672   7.033   7.172
  433   2HB   LEU  57           HB1      LEU  57  63.301   7.614   5.629
  434    HG   LEU  57           HG       LEU  57  64.718   5.667   5.398
  435   1HD1  LEU  57          HD11      LEU  57  63.908   5.234   8.256
  436   2HD1  LEU  57          HD13      LEU  57  64.334   3.842   7.261
  437   3HD1  LEU  57          HD12      LEU  57  65.509   5.129   7.524
  438   1HD2  LEU  57          HD23      LEU  57  61.830   5.467   5.791
  439   2HD2  LEU  57          HD22      LEU  57  62.837   4.759   4.528
  440   3HD2  LEU  57          HD21      LEU  57  62.642   3.927   6.071
  441    H    GLN  58           HN       GLN  58  63.001   9.635   6.992
  442    HA   GLN  58           HA       GLN  58  64.022  11.348   5.084
  443   1HB   GLN  58           HB2      GLN  58  62.183  11.418   7.274
  444   2HB   GLN  58           HB1      GLN  58  63.102  12.925   7.290
  445   1HG   GLN  58           HG2      GLN  58  61.819  11.806   4.787
  446   2HG   GLN  58           HG1      GLN  58  61.007  12.955   5.850
  447   1HE2  GLN  58          HE22      GLN  58  63.482  14.413   3.115
  448   2HE2  GLN  58          HE21      GLN  58  62.749  12.883   3.043
  449    H    GLU  59           HN       GLU  59  65.077  11.102   8.473
  450    HA   GLU  59           HA       GLU  59  66.960  13.329   8.261
  451   1HB   GLU  59           HB2      GLU  59  65.672  12.209  10.291
  452   2HB   GLU  59           HB1      GLU  59  67.092  11.162  10.335
  453   1HG   GLU  59           HG2      GLU  59  67.375  13.130  11.813
  454   2HG   GLU  59           HG1      GLU  59  68.557  13.130  10.502
  455    H    MET  60           HN       MET  60  67.065   9.830   7.851
  456    HA   MET  60           HA       MET  60  70.010   9.748   7.746
  457   1HB   MET  60           HB2      MET  60  68.811   7.891   8.714
  458   2HB   MET  60           HB1      MET  60  67.768   7.759   7.297
  459   1HG   MET  60           HG2      MET  60  69.879   7.304   5.942
  460   2HG   MET  60           HG1      MET  60  70.722   7.137   7.481
  461   1HE   MET  60           HE3      MET  60  70.547   5.667   9.061
  462   2HE   MET  60           HE2      MET  60  68.870   5.358   9.506
  463   3HE   MET  60           HE1      MET  60  69.897   4.023   8.988
  464    H    ILE  61           HN       ILE  61  67.272   9.769   5.504
  465    HA   ILE  61           HA       ILE  61  68.673   9.006   3.126
  466    HB   ILE  61           HB       ILE  61  66.247  10.749   3.662
  467   1HG1  ILE  61          HG12      ILE  61  66.419   7.893   2.663
  468   2HG1  ILE  61          HG11      ILE  61  66.250   8.303   4.371
  469   1HG2  ILE  61          HG22      ILE  61  67.496  10.978   1.369
  470   2HG2  ILE  61          HG21      ILE  61  66.820   9.382   1.045
  471   3HG2  ILE  61          HG23      ILE  61  65.748  10.742   1.375
  472   1HD1  ILE  61          HD12      ILE  61  64.353   9.586   2.457
  473   2HD1  ILE  61          HD11      ILE  61  64.116   7.876   2.813
  474   3HD1  ILE  61          HD13      ILE  61  64.087   9.061   4.119
  475    H    ASP  62           HN       ASP  62  68.459  12.047   4.878
  476    HA   ASP  62           HA       ASP  62  69.231  13.892   2.874
  477   1HB   ASP  62           HB2      ASP  62  68.547  14.084   5.415
  478   2HB   ASP  62           HB1      ASP  62  70.288  14.021   5.685
  479    H    GLU  63           HN       GLU  63  71.352  12.147   5.186
  480    HA   GLU  63           HA       GLU  63  73.779  12.990   3.793
  481   1HB   GLU  63           HB2      GLU  63  74.816  11.486   5.497
  482   2HB   GLU  63           HB1      GLU  63  73.676  12.624   6.217
  483   1HG   GLU  63           HG2      GLU  63  72.047  10.979   6.561
  484   2HG   GLU  63           HG1      GLU  63  72.731   9.908   5.337
  485    H    VAL  64           HN       VAL  64  71.533  10.362   3.507
  486    HA   VAL  64           HA       VAL  64  73.430   8.529   2.201
  487    HB   VAL  64           HB       VAL  64  70.434   8.563   2.670
  488   1HG1  VAL  64          HG11      VAL  64  72.149   6.792   1.033
  489   2HG1  VAL  64          HG13      VAL  64  71.059   5.962   2.144
  490   3HG1  VAL  64          HG12      VAL  64  70.412   7.076   0.940
  491   1HG2  VAL  64          HG23      VAL  64  71.953   8.300   4.652
  492   2HG2  VAL  64          HG22      VAL  64  70.941   6.885   4.360
  493   3HG2  VAL  64          HG21      VAL  64  72.639   6.868   3.885
  494    H    ASP  65           HN       ASP  65  70.547  10.411   1.201
  495    HA   ASP  65           HA       ASP  65  70.956   9.813  -1.631
  496   1HB   ASP  65           HB2      ASP  65  69.157  11.596   0.016
  497   2HB   ASP  65           HB1      ASP  65  69.109  11.624  -1.746
  498    H    GLU  66           HN       GLU  66  73.349  10.723  -1.247
  499    HA   GLU  66           HA       GLU  66  73.742  13.571  -1.092
  500   1HB   GLU  66           HB2      GLU  66  75.448  11.851  -0.607
  501   2HB   GLU  66           HB1      GLU  66  75.427  11.351  -2.299
  502   1HG   GLU  66           HG2      GLU  66  76.924  12.952  -2.794
  503   2HG   GLU  66           HG1      GLU  66  75.796  14.183  -2.225
  504    H    ASP  67           HN       ASP  67  72.637  11.516  -3.633
  505    HA   ASP  67           HA       ASP  67  72.674  13.824  -5.511
  506   1HB   ASP  67           HB2      ASP  67  74.645  11.904  -5.539
  507   2HB   ASP  67           HB1      ASP  67  73.490  11.252  -6.703
  508    H    GLY  68           HN       GLY  68  70.712  11.946  -3.981
  509   1HA   GLY  68           HA2      GLY  68  69.202  10.913  -6.335
  510   2HA   GLY  68           HA1      GLY  68  68.944  10.401  -4.667
  511    H    SER  69           HN       SER  69  69.114  13.267  -3.754
  512    HA   SER  69           HA       SER  69  67.635  15.085  -3.420
  513   1HB   SER  69           HB2      SER  69  66.934  15.958  -5.409
  514   2HB   SER  69           HB1      SER  69  67.808  14.605  -6.124
  515    HG   SER  69           HG       SER  69  65.194  15.113  -6.162
  516    H    GLY  70           HN       GLY  70  66.999  12.333  -2.476
  517   1HA   GLY  70           HA2      GLY  70  65.065  11.874  -1.037
  518   2HA   GLY  70           HA1      GLY  70  64.047  12.694  -2.222
  519    H    THR  71           HN       THR  71  66.490  10.597  -3.469
  520    HA   THR  71           HA       THR  71  64.547   8.346  -3.745
  521    HB   THR  71           HB       THR  71  64.961   8.336  -6.175
  522    HG1  THR  71           HG1      THR  71  66.663  10.466  -5.458
  523   1HG2  THR  71          HG21      THR  71  63.290   9.981  -4.895
  524   2HG2  THR  71          HG23      THR  71  64.327  11.202  -5.636
  525   3HG2  THR  71          HG22      THR  71  63.477  10.034  -6.648
  526    H    VAL  72           HN       VAL  72  65.576   6.367  -3.616
  527    HA   VAL  72           HA       VAL  72  68.565   6.392  -3.487
  528    HB   VAL  72           HB       VAL  72  67.995   4.083  -2.357
  529   1HG1  VAL  72          HG13      VAL  72  67.565   6.831  -1.197
  530   2HG1  VAL  72          HG12      VAL  72  67.505   5.380  -0.194
  531   3HG1  VAL  72          HG11      VAL  72  68.986   5.792  -1.062
  532   1HG2  VAL  72          HG21      VAL  72  65.494   4.537  -3.108
  533   2HG2  VAL  72          HG23      VAL  72  65.836   3.766  -1.560
  534   3HG2  VAL  72          HG22      VAL  72  65.448   5.486  -1.623
  535    H    ASP  73           HN       ASP  73  69.720   4.642  -4.480
  536    HA   ASP  73           HA       ASP  73  68.247   3.330  -6.739
  537   1HB   ASP  73           HB2      ASP  73  70.174   5.118  -7.003
  538   2HB   ASP  73           HB1      ASP  73  71.223   3.754  -6.617
  539    H    PHE  74           HN       PHE  74  70.223   1.441  -7.369
  540    HA   PHE  74           HA       PHE  74  69.750  -0.602  -5.389
  541   1HB   PHE  74           HB2      PHE  74  70.431  -0.496  -8.018
  542   2HB   PHE  74           HB1      PHE  74  72.005  -0.858  -7.307
  543    HD1  PHE  74           HD1      PHE  74  68.564  -1.859  -6.237
  544    HD2  PHE  74           HD2      PHE  74  72.400  -3.138  -7.677
  545    HE1  PHE  74           HE1      PHE  74  67.886  -4.227  -5.937
  546    HE2  PHE  74           HE2      PHE  74  71.724  -5.507  -7.379
  547    HZ   PHE  74           HZ       PHE  74  69.467  -6.051  -6.508
  548    H    ASP  75           HN       ASP  75  72.354   1.690  -5.943
  549    HA   ASP  75           HA       ASP  75  74.260   0.358  -4.171
  550   1HB   ASP  75           HB2      ASP  75  74.045   2.955  -5.675
  551   2HB   ASP  75           HB1      ASP  75  75.335   2.733  -4.493
  552    H    GLU  76           HN       GLU  76  72.012   3.122  -3.905
  553    HA   GLU  76           HA       GLU  76  72.870   3.785  -1.189
  554   1HB   GLU  76           HB2      GLU  76  70.387   4.567  -2.748
  555   2HB   GLU  76           HB1      GLU  76  71.075   5.427  -1.372
  556   1HG   GLU  76           HG2      GLU  76  73.212   5.654  -2.760
  557   2HG   GLU  76           HG1      GLU  76  72.253   5.114  -4.139
  558    H    PHE  77           HN       PHE  77  69.899   2.355  -2.603
  559    HA   PHE  77           HA       PHE  77  68.499   1.834  -0.214
  560   1HB   PHE  77           HB2      PHE  77  67.458   1.567  -2.346
  561   2HB   PHE  77           HB1      PHE  77  68.694   0.431  -2.887
  562    HD1  PHE  77           HD1      PHE  77  66.817   0.602   0.344
  563    HD2  PHE  77           HD2      PHE  77  67.597  -1.613  -3.252
  564    HE1  PHE  77           HE1      PHE  77  65.467  -1.287   1.216
  565    HE2  PHE  77           HE2      PHE  77  66.248  -3.503  -2.381
  566    HZ   PHE  77           HZ       PHE  77  65.183  -3.340  -0.147
  567    H    LEU  78           HN       LEU  78  71.015  -0.121  -1.815
  568    HA   LEU  78           HA       LEU  78  70.833  -2.423  -0.127
  569   1HB   LEU  78           HB2      LEU  78  72.618  -1.229  -2.125
  570   2HB   LEU  78           HB1      LEU  78  73.483  -2.190  -0.925
  571    HG   LEU  78           HG       LEU  78  71.151  -3.102  -2.634
  572   1HD1  LEU  78          HD13      LEU  78  73.609  -2.953  -3.517
  573   2HD1  LEU  78          HD12      LEU  78  73.886  -4.349  -2.476
  574   3HD1  LEU  78          HD11      LEU  78  72.699  -4.441  -3.778
  575   1HD2  LEU  78          HD23      LEU  78  72.357  -4.155  -0.131
  576   2HD2  LEU  78          HD22      LEU  78  70.729  -4.373  -0.773
  577   3HD2  LEU  78          HD21      LEU  78  72.062  -5.340  -1.404
  578    H    VAL  79           HN       VAL  79  72.943   0.465   0.088
  579    HA   VAL  79           HA       VAL  79  74.364  -0.293   2.436
  580    HB   VAL  79           HB       VAL  79  73.517   2.453   1.452
  581   1HG1  VAL  79          HG12      VAL  79  74.497   2.305   3.776
  582   2HG1  VAL  79          HG11      VAL  79  75.959   1.636   3.051
  583   3HG1  VAL  79          HG13      VAL  79  75.446   3.275   2.650
  584   1HG2  VAL  79          HG22      VAL  79  74.860   0.601  -0.009
  585   2HG2  VAL  79          HG21      VAL  79  75.157   2.333  -0.144
  586   3HG2  VAL  79          HG23      VAL  79  76.205   1.335   0.862
  587    H    MET  80           HN       MET  80  71.277   1.452   2.043
  588    HA   MET  80           HA       MET  80  70.828   2.215   4.727
  589   1HB   MET  80           HB2      MET  80  68.947   1.280   2.535
  590   2HB   MET  80           HB1      MET  80  68.416   2.098   4.005
  591   1HG   MET  80           HG2      MET  80  70.613   3.503   2.684
  592   2HG   MET  80           HG1      MET  80  69.194   3.348   1.649
  593   1HE   MET  80           HE1      MET  80  67.127   4.551   1.817
  594   2HE   MET  80           HE3      MET  80  67.132   6.137   2.600
  595   3HE   MET  80           HE2      MET  80  68.414   5.703   1.473
  596    H    MET  81           HN       MET  81  70.007  -0.859   3.090
  597    HA   MET  81           HA       MET  81  68.895  -2.061   5.504
  598   1HB   MET  81           HB2      MET  81  69.222  -2.610   2.671
  599   2HB   MET  81           HB1      MET  81  69.610  -4.039   3.628
  600   1HG   MET  81           HG2      MET  81  67.118  -2.419   4.156
  601   2HG   MET  81           HG1      MET  81  67.141  -3.712   2.955
  602   1HE   MET  81           HE3      MET  81  65.943  -5.307   3.415
  603   2HE   MET  81           HE2      MET  81  65.947  -6.439   4.764
  604   3HE   MET  81           HE1      MET  81  65.037  -4.936   4.889
  605    H    VAL  82           HN       VAL  82  72.056  -1.867   3.995
  606    HA   VAL  82           HA       VAL  82  73.285  -4.091   5.376
  607    HB   VAL  82           HB       VAL  82  74.188  -1.609   3.918
  608   1HG1  VAL  82          HG12      VAL  82  75.967  -3.671   5.258
  609   2HG1  VAL  82          HG11      VAL  82  76.522  -2.425   4.140
  610   3HG1  VAL  82          HG13      VAL  82  75.840  -1.968   5.701
  611   1HG2  VAL  82          HG22      VAL  82  73.370  -4.088   3.073
  612   2HG2  VAL  82          HG21      VAL  82  74.432  -3.025   2.152
  613   3HG2  VAL  82          HG23      VAL  82  75.118  -4.304   3.153
  614    H    ARG  83           HN       ARG  83  73.164  -0.573   6.017
  615    HA   ARG  83           HA       ARG  83  74.716  -0.760   8.473
  616   1HB   ARG  83           HB2      ARG  83  74.644   1.247   7.073
  617   2HB   ARG  83           HB1      ARG  83  72.898   1.365   7.291
  618   1HG   ARG  83           HG2      ARG  83  73.090   2.249   9.382
  619   2HG   ARG  83           HG1      ARG  83  74.459   1.217   9.797
  620   1HD   ARG  83           HD2      ARG  83  75.924   2.875   9.306
  621   2HD   ARG  83           HD1      ARG  83  75.188   3.111   7.708
  622    HE   ARG  83           HE       ARG  83  73.365   4.404   8.988
  623   1HH1  ARG  83          HH21      ARG  83  74.067   4.306  11.725
  624   2HH1  ARG  83          HH22      ARG  83  75.157   5.629  11.968
  625   1HH2  ARG  83          HH11      ARG  83  75.872   6.007   8.596
  626   2HH2  ARG  83          HH12      ARG  83  76.180   6.592  10.197
  627    H    CYS  84           HN       CYS  84  71.416  -1.338   7.658
  628    HA   CYS  84           HA       CYS  84  70.494  -0.903  10.458
  629   1HB   CYS  84           HB2      CYS  84  69.414  -0.410   7.964
  630   2HB   CYS  84           HB1      CYS  84  68.614  -1.912   8.430
  631    HG   CYS  84           HG       CYS  84  68.040  -0.571  10.760
  632    H    MET  85           HN       MET  85  72.177  -3.264   9.171
  633    HA   MET  85           HA       MET  85  70.440  -5.588   9.613
  634   1HB   MET  85           HB2      MET  85  73.410  -5.208   9.116
  635   2HB   MET  85           HB1      MET  85  72.607  -6.778   9.152
  636   1HG   MET  85           HG2      MET  85  70.987  -5.460   7.422
  637   2HG   MET  85           HG1      MET  85  72.520  -4.658   7.080
  638   1HE   MET  85           HE1      MET  85  71.740  -5.620   4.751
  639   2HE   MET  85           HE3      MET  85  71.941  -7.301   4.238
  640   3HE   MET  85           HE2      MET  85  70.573  -6.843   5.249
  641    H    LYS  86           HN       LYS  86  73.656  -4.957  11.032
  642    HA   LYS  86           HA       LYS  86  74.415  -5.194  13.260
  643   1HB   LYS  86           HB2      LYS  86  71.813  -4.023  13.271
  644   2HB   LYS  86           HB1      LYS  86  71.883  -5.171  14.608
  645   1HG   LYS  86           HG2      LYS  86  73.364  -3.906  15.768
  646   2HG   LYS  86           HG1      LYS  86  74.314  -3.542  14.327
  647   1HD   LYS  86           HD2      LYS  86  71.629  -2.287  14.453
  648   2HD   LYS  86           HD1      LYS  86  72.813  -1.687  15.615
  649   1HE   LYS  86           HE2      LYS  86  74.405  -1.637  13.490
  650   2HE   LYS  86           HE1      LYS  86  72.862  -1.540  12.619
  651   1HZ   LYS  86           HZ1      LYS  86  72.333   0.145  14.545
  652   2HZ   LYS  86           HZ3      LYS  86  74.019   0.327  14.560
  653   3HZ   LYS  86           HZ2      LYS  86  73.144   0.650  13.140
  654    H    ASP  87           HN       ASP  87  71.213  -6.671  13.708
  655    HA   ASP  87           HA       ASP  87  72.397  -9.394  13.673
  656   1HB   ASP  87           HB2      ASP  87  71.616  -9.787  15.991
  657   2HB   ASP  87           HB1      ASP  87  72.785  -8.467  15.933
  658    H    ASP  88           HN       ASP  88  70.224 -10.686  14.918
  659    HA   ASP  88           HA       ASP  88  67.651  -9.794  13.965
  660   1HB   ASP  88           HB2      ASP  88  68.854 -10.203  11.820
  661   2HB   ASP  88           HB1      ASP  88  69.115 -11.877  12.310
  662    H    SER  89           HN       SER  89  67.810 -10.677  16.360
  663    HA   SER  89           HA       SER  89  67.739 -13.614  16.593
  664   1HB   SER  89           HB2      SER  89  67.058 -11.527  18.672
  665   2HB   SER  89           HB1      SER  89  67.690 -13.149  18.935
  666    HG   SER  89           HG       SER  89  69.351 -11.633  19.110
   
  No H/Q in entry =         666
  Start of MODEL   40
    1   1H    MET   1           HT1      MET   1  93.917  -0.523   0.917
    2   2H    MET   1           HT3      MET   1  94.676   0.132  -0.450
    3   3H    MET   1           HT2      MET   1  93.400   0.971   0.296
    4    HA   MET   1           HA       MET   1  92.393   0.005  -1.567
    5   1HB   MET   1           HB2      MET   1  94.623  -1.447  -1.640
    6   2HB   MET   1           HB1      MET   1  93.579  -2.669  -0.914
    7   1HG   MET   1           HG2      MET   1  92.014  -2.511  -2.762
    8   2HG   MET   1           HG1      MET   1  92.905  -1.155  -3.452
    9   1HE   MET   1           HE1      MET   1  93.207  -1.687  -5.408
   10   2HE   MET   1           HE3      MET   1  94.970  -1.808  -5.485
   11   3HE   MET   1           HE2      MET   1  93.966  -3.081  -6.175
   12    H    ASP   2           HN       ASP   2  91.107   0.508   0.677
   13    HA   ASP   2           HA       ASP   2  89.537  -1.973   1.232
   14   1HB   ASP   2           HB2      ASP   2  89.557  -1.169   3.668
   15   2HB   ASP   2           HB1      ASP   2  91.080  -1.818   3.058
   16    H    ASP   3           HN       ASP   3  87.540  -1.365   0.439
   17    HA   ASP   3           HA       ASP   3  86.623   1.388   0.380
   18   1HB   ASP   3           HB2      ASP   3  84.517   0.276  -0.396
   19   2HB   ASP   3           HB1      ASP   3  85.945  -0.279  -1.272
   20    H    ILE   4           HN       ILE   4  84.249   1.710   1.318
   21    HA   ILE   4           HA       ILE   4  84.331   0.890   4.198
   22    HB   ILE   4           HB       ILE   4  82.780   3.079   4.231
   23   1HG1  ILE   4          HG12      ILE   4  84.704   3.854   2.051
   24   2HG1  ILE   4          HG11      ILE   4  83.148   3.154   1.613
   25   1HG2  ILE   4          HG23      ILE   4  85.800   3.029   4.019
   26   2HG2  ILE   4          HG22      ILE   4  84.868   4.385   4.657
   27   3HG2  ILE   4          HG21      ILE   4  84.844   2.828   5.487
   28   1HD1  ILE   4          HD13      ILE   4  82.250   4.932   3.380
   29   2HD1  ILE   4          HD12      ILE   4  83.744   5.762   2.943
   30   3HD1  ILE   4          HD11      ILE   4  82.549   5.384   1.702
   31    H    TYR   5           HN       TYR   5  81.690   2.349   2.319
   32    HA   TYR   5           HA       TYR   5  79.785   0.416   3.398
   33   1HB   TYR   5           HB2      TYR   5  79.577   2.604   1.302
   34   2HB   TYR   5           HB1      TYR   5  78.204   1.781   2.046
   35    HD1  TYR   5           HD1      TYR   5  78.152   1.785   4.673
   36    HD2  TYR   5           HD2      TYR   5  80.418   4.550   2.291
   37    HE1  TYR   5           HE1      TYR   5  78.246   3.357   6.589
   38    HE2  TYR   5           HE2      TYR   5  80.513   6.122   4.207
   39    HH   TYR   5           HH       TYR   5  79.831   5.253   7.331
   40    H    LYS   6           HN       LYS   6  81.328   1.027   0.250
   41    HA   LYS   6           HA       LYS   6  79.911  -0.616  -1.477
   42   1HB   LYS   6           HB2      LYS   6  82.148   0.781  -1.652
   43   2HB   LYS   6           HB1      LYS   6  82.909  -0.785  -1.366
   44   1HG   LYS   6           HG2      LYS   6  81.709  -1.746  -3.278
   45   2HG   LYS   6           HG1      LYS   6  80.885  -0.209  -3.550
   46   1HD   LYS   6           HD2      LYS   6  82.661   0.655  -4.644
   47   2HD   LYS   6           HD1      LYS   6  83.781   0.117  -3.392
   48   1HE   LYS   6           HE2      LYS   6  84.439  -1.100  -5.334
   49   2HE   LYS   6           HE1      LYS   6  83.451  -2.257  -4.417
   50   1HZ   LYS   6           HZ2      LYS   6  81.539  -1.016  -5.719
   51   2HZ   LYS   6           HZ1      LYS   6  82.787  -0.765  -6.845
   52   3HZ   LYS   6           HZ3      LYS   6  82.356  -2.343  -6.396
   53    H    ALA   7           HN       ALA   7  82.073  -1.604   1.140
   54    HA   ALA   7           HA       ALA   7  82.321  -4.376   0.426
   55   1HB   ALA   7           HB3      ALA   7  82.789  -2.584   2.734
   56   2HB   ALA   7           HB2      ALA   7  82.527  -4.277   3.156
   57   3HB   ALA   7           HB1      ALA   7  83.831  -3.833   2.056
   58    H    ALA   8           HN       ALA   8  79.817  -2.530   2.073
   59    HA   ALA   8           HA       ALA   8  78.394  -4.516   3.449
   60   1HB   ALA   8           HB3      ALA   8  78.042  -1.950   3.113
   61   2HB   ALA   8           HB2      ALA   8  77.053  -2.429   1.734
   62   3HB   ALA   8           HB1      ALA   8  76.619  -2.961   3.359
   63    H    VAL   9           HN       VAL   9  78.079  -3.610  -0.005
   64    HA   VAL   9           HA       VAL   9  76.101  -5.595  -0.645
   65    HB   VAL   9           HB       VAL   9  78.205  -4.238  -2.363
   66   1HG1  VAL   9          HG11      VAL   9  75.811  -5.925  -2.924
   67   2HG1  VAL   9          HG13      VAL   9  76.073  -4.530  -3.971
   68   3HG1  VAL   9          HG12      VAL   9  77.316  -5.773  -3.832
   69   1HG2  VAL   9          HG21      VAL   9  75.679  -3.329  -1.099
   70   2HG2  VAL   9          HG23      VAL   9  77.084  -2.390  -1.608
   71   3HG2  VAL   9          HG22      VAL   9  75.882  -2.894  -2.797
   72    H    GLU  10           HN       GLU  10  79.666  -5.576  -0.936
   73    HA   GLU  10           HA       GLU  10  80.141  -7.987  -2.245
   74   1HB   GLU  10           HB2      GLU  10  81.548  -6.948   0.237
   75   2HB   GLU  10           HB1      GLU  10  82.252  -7.974  -1.013
   76   1HG   GLU  10           HG2      GLU  10  81.497  -6.032  -2.623
   77   2HG   GLU  10           HG1      GLU  10  81.515  -5.068  -1.146
   78    H    GLN  11           HN       GLN  11  79.032  -7.501   1.075
   79    HA   GLN  11           HA       GLN  11  79.420 -10.223   1.969
   80   1HB   GLN  11           HB2      GLN  11  77.797  -7.827   2.828
   81   2HB   GLN  11           HB1      GLN  11  77.658  -9.362   3.683
   82   1HG   GLN  11           HG2      GLN  11  80.183  -9.342   3.920
   83   2HG   GLN  11           HG1      GLN  11  80.150  -7.686   3.313
   84   1HE2  GLN  11          HE22      GLN  11  79.980  -7.419   7.008
   85   2HE2  GLN  11          HE21      GLN  11  81.125  -7.927   5.861
   86    H    LEU  12           HN       LEU  12  76.886  -8.564   0.184
   87    HA   LEU  12           HA       LEU  12  74.875 -10.651   0.562
   88   1HB   LEU  12           HB2      LEU  12  75.220  -8.226  -1.214
   89   2HB   LEU  12           HB1      LEU  12  73.806  -9.273  -1.334
   90    HG   LEU  12           HG       LEU  12  74.733  -7.816   1.159
   91   1HD1  LEU  12          HD11      LEU  12  73.167  -6.966  -1.046
   92   2HD1  LEU  12          HD13      LEU  12  72.048  -7.247   0.288
   93   3HD1  LEU  12          HD12      LEU  12  73.399  -6.131   0.490
   94   1HD2  LEU  12          HD21      LEU  12  72.552  -9.828   0.617
   95   2HD2  LEU  12          HD23      LEU  12  73.730  -9.808   1.930
   96   3HD2  LEU  12          HD22      LEU  12  72.395  -8.655   1.925
   97    H    THR  13           HN       THR  13  74.424 -12.355  -0.855
   98    HA   THR  13           HA       THR  13  76.511 -13.009  -2.847
   99    HB   THR  13           HB       THR  13  74.945 -15.123  -2.901
  100    HG1  THR  13           HG1      THR  13  73.199 -14.662  -1.815
  101   1HG2  THR  13          HG21      THR  13  77.196 -14.521  -1.556
  102   2HG2  THR  13          HG23      THR  13  76.102 -14.733  -0.190
  103   3HG2  THR  13          HG22      THR  13  76.344 -16.050  -1.339
  104    H    GLU  14           HN       GLU  14  75.901 -13.629  -5.057
  105    HA   GLU  14           HA       GLU  14  74.403 -11.814  -6.530
  106   1HB   GLU  14           HB2      GLU  14  75.942 -13.822  -7.176
  107   2HB   GLU  14           HB1      GLU  14  74.444 -14.754  -7.204
  108   1HG   GLU  14           HG2      GLU  14  73.892 -13.899  -9.210
  109   2HG   GLU  14           HG1      GLU  14  74.068 -12.253  -8.597
  110    H    GLU  15           HN       GLU  15  73.210 -15.014  -5.425
  111    HA   GLU  15           HA       GLU  15  70.551 -14.839  -6.293
  112   1HB   GLU  15           HB2      GLU  15  71.883 -16.045  -3.861
  113   2HB   GLU  15           HB1      GLU  15  70.171 -16.303  -4.201
  114   1HG   GLU  15           HG2      GLU  15  70.592 -17.574  -6.087
  115   2HG   GLU  15           HG1      GLU  15  72.126 -16.766  -6.415
  116    H    GLN  16           HN       GLN  16  71.993 -13.501  -3.316
  117    HA   GLN  16           HA       GLN  16  69.577 -12.562  -2.112
  118   1HB   GLN  16           HB2      GLN  16  72.499 -12.160  -1.912
  119   2HB   GLN  16           HB1      GLN  16  71.531 -10.814  -1.310
  120   1HG   GLN  16           HG2      GLN  16  70.999 -13.683  -0.512
  121   2HG   GLN  16           HG1      GLN  16  72.082 -12.629   0.398
  122   1HE2  GLN  16          HE22      GLN  16  69.412 -11.124   2.111
  123   2HE2  GLN  16          HE21      GLN  16  71.056 -11.551   2.080
  124    H    LYS  17           HN       LYS  17  71.702 -11.151  -4.571
  125    HA   LYS  17           HA       LYS  17  70.529  -8.511  -4.551
  126   1HB   LYS  17           HB2      LYS  17  71.922  -9.992  -6.802
  127   2HB   LYS  17           HB1      LYS  17  71.846  -8.245  -6.569
  128   1HG   LYS  17           HG2      LYS  17  72.869  -9.181  -4.157
  129   2HG   LYS  17           HG1      LYS  17  73.657 -10.197  -5.364
  130   1HD   LYS  17           HD2      LYS  17  74.012  -7.912  -6.629
  131   2HD   LYS  17           HD1      LYS  17  73.789  -7.218  -5.022
  132   1HE   LYS  17           HE2      LYS  17  75.823  -9.365  -5.737
  133   2HE   LYS  17           HE1      LYS  17  76.186  -7.656  -5.431
  134   1HZ   LYS  17           HZ2      LYS  17  74.524  -8.701  -3.384
  135   2HZ   LYS  17           HZ1      LYS  17  75.919  -9.659  -3.537
  136   3HZ   LYS  17           HZ3      LYS  17  76.064  -7.994  -3.251
  137    H    ASN  18           HN       ASN  18  69.842 -11.498  -6.350
  138    HA   ASN  18           HA       ASN  18  68.068 -10.491  -8.310
  139   1HB   ASN  18           HB2      ASN  18  68.412 -13.068  -6.798
  140   2HB   ASN  18           HB1      ASN  18  67.059 -12.894  -7.916
  141   1HD2  ASN  18          HD21      ASN  18  70.411 -13.614  -7.723
  142   2HD2  ASN  18          HD22      ASN  18  70.754 -13.546  -9.385
  143    H    GLU  19           HN       GLU  19  67.255 -11.778  -5.057
  144    HA   GLU  19           HA       GLU  19  64.476 -11.304  -5.103
  145   1HB   GLU  19           HB2      GLU  19  66.218 -12.353  -3.372
  146   2HB   GLU  19           HB1      GLU  19  66.071 -10.760  -2.628
  147   1HG   GLU  19           HG2      GLU  19  64.348 -11.946  -1.579
  148   2HG   GLU  19           HG1      GLU  19  63.496 -11.158  -2.907
  149    H    PHE  20           HN       PHE  20  66.910  -9.152  -3.573
  150    HA   PHE  20           HA       PHE  20  65.334  -6.940  -3.005
  151   1HB   PHE  20           HB2      PHE  20  68.118  -7.574  -3.484
  152   2HB   PHE  20           HB1      PHE  20  67.753  -5.960  -4.094
  153    HD1  PHE  20           HD2      PHE  20  65.615  -5.081  -2.262
  154    HD2  PHE  20           HD1      PHE  20  69.253  -7.214  -1.446
  155    HE1  PHE  20           HE2      PHE  20  65.611  -4.202   0.057
  156    HE2  PHE  20           HE1      PHE  20  69.249  -6.335   0.873
  157    HZ   PHE  20           HZ       PHE  20  67.428  -4.829   1.624
  158    H    LYS  21           HN       LYS  21  66.854  -7.710  -6.149
  159    HA   LYS  21           HA       LYS  21  65.989  -5.385  -7.562
  160   1HB   LYS  21           HB2      LYS  21  67.687  -7.228  -8.158
  161   2HB   LYS  21           HB1      LYS  21  66.298  -8.170  -8.701
  162   1HG   LYS  21           HG2      LYS  21  65.879  -5.682  -9.864
  163   2HG   LYS  21           HG1      LYS  21  67.624  -5.909  -9.996
  164   1HD   LYS  21           HD2      LYS  21  67.092  -8.261 -10.874
  165   2HD   LYS  21           HD1      LYS  21  65.429  -7.701 -11.046
  166   1HE   LYS  21           HE2      LYS  21  66.075  -6.933 -13.093
  167   2HE   LYS  21           HE1      LYS  21  66.927  -5.652 -12.207
  168   1HZ   LYS  21           HZ2      LYS  21  68.078  -8.347 -12.673
  169   2HZ   LYS  21           HZ1      LYS  21  68.366  -7.031 -13.709
  170   3HZ   LYS  21           HZ3      LYS  21  68.877  -6.964 -12.092
  171    H    ALA  22           HN       ALA  22  64.465  -8.598  -7.190
  172    HA   ALA  22           HA       ALA  22  62.175  -8.052  -8.838
  173   1HB   ALA  22           HB2      ALA  22  62.961 -10.003  -6.693
  174   2HB   ALA  22           HB1      ALA  22  61.291  -9.981  -7.261
  175   3HB   ALA  22           HB3      ALA  22  62.604 -10.306  -8.393
  176    H    ALA  23           HN       ALA  23  63.055  -6.957  -5.696
  177    HA   ALA  23           HA       ALA  23  60.218  -6.298  -5.016
  178   1HB   ALA  23           HB3      ALA  23  62.636  -7.086  -3.587
  179   2HB   ALA  23           HB2      ALA  23  61.916  -5.634  -2.891
  180   3HB   ALA  23           HB1      ALA  23  60.961  -7.110  -3.036
  181    H    PHE  24           HN       PHE  24  63.207  -4.917  -6.077
  182    HA   PHE  24           HA       PHE  24  62.573  -2.195  -5.134
  183   1HB   PHE  24           HB2      PHE  24  64.873  -2.959  -5.158
  184   2HB   PHE  24           HB1      PHE  24  64.746  -3.424  -6.855
  185    HD1  PHE  24           HD2      PHE  24  64.109  -1.542  -8.542
  186    HD2  PHE  24           HD1      PHE  24  65.624  -0.811  -4.588
  187    HE1  PHE  24           HE2      PHE  24  64.776   0.747  -9.221
  188    HE2  PHE  24           HE1      PHE  24  66.290   1.479  -5.269
  189    HZ   PHE  24           HZ       PHE  24  65.866   2.258  -7.584
  190    H    ASP  25           HN       ASP  25  62.649  -3.999  -8.205
  191    HA   ASP  25           HA       ASP  25  62.064  -1.825  -9.961
  192   1HB   ASP  25           HB2      ASP  25  62.758  -4.355 -10.288
  193   2HB   ASP  25           HB1      ASP  25  61.015  -4.609 -10.382
  194    H    ILE  26           HN       ILE  26  60.081  -3.528  -7.681
  195    HA   ILE  26           HA       ILE  26  57.524  -2.865  -8.958
  196    HB   ILE  26           HB       ILE  26  58.243  -3.867  -6.188
  197   1HG1  ILE  26          HG12      ILE  26  57.754  -5.235  -8.839
  198   2HG1  ILE  26          HG11      ILE  26  59.115  -5.441  -7.739
  199   1HG2  ILE  26          HG22      ILE  26  55.787  -2.979  -7.240
  200   2HG2  ILE  26          HG21      ILE  26  55.707  -4.740  -7.296
  201   3HG2  ILE  26          HG23      ILE  26  56.027  -3.920  -5.768
  202   1HD1  ILE  26          HD11      ILE  26  57.041  -6.125  -6.112
  203   2HD1  ILE  26          HD13      ILE  26  56.433  -6.676  -7.673
  204   3HD1  ILE  26          HD12      ILE  26  57.970  -7.287  -7.059
  205    H    PHE  27           HN       PHE  27  59.779  -1.009  -7.378
  206    HA   PHE  27           HA       PHE  27  57.666   0.845  -6.324
  207   1HB   PHE  27           HB2      PHE  27  60.358   0.014  -5.217
  208   2HB   PHE  27           HB1      PHE  27  59.502   1.443  -4.635
  209    HD1  PHE  27           HD1      PHE  27  59.225  -2.245  -5.072
  210    HD2  PHE  27           HD2      PHE  27  57.663   1.256  -3.136
  211    HE1  PHE  27           HE1      PHE  27  57.828  -3.678  -3.608
  212    HE2  PHE  27           HE2      PHE  27  56.267  -0.176  -1.672
  213    HZ   PHE  27           HZ       PHE  27  56.349  -2.644  -1.908
  214    H    VAL  28           HN       VAL  28  59.356   0.628  -8.929
  215    HA   VAL  28           HA       VAL  28  60.931   3.140  -8.773
  216    HB   VAL  28           HB       VAL  28  60.470   1.203 -11.060
  217   1HG1  VAL  28          HG13      VAL  28  61.574   3.701 -11.124
  218   2HG1  VAL  28          HG12      VAL  28  62.994   2.714 -10.783
  219   3HG1  VAL  28          HG11      VAL  28  62.025   2.396 -12.221
  220   1HG2  VAL  28          HG23      VAL  28  62.451   1.219  -8.779
  221   2HG2  VAL  28          HG22      VAL  28  61.435  -0.111  -9.337
  222   3HG2  VAL  28          HG21      VAL  28  62.814   0.412 -10.306
  223    H    LEU  29           HN       LEU  29  57.876   3.010  -8.706
  224    HA   LEU  29           HA       LEU  29  56.644   3.785 -11.090
  225   1HB   LEU  29           HB2      LEU  29  55.135   5.088  -9.544
  226   2HB   LEU  29           HB1      LEU  29  55.464   3.447  -8.985
  227    HG   LEU  29           HG       LEU  29  57.484   5.323  -8.046
  228   1HD1  LEU  29          HD13      LEU  29  55.476   6.847  -8.184
  229   2HD1  LEU  29          HD12      LEU  29  54.651   5.763  -7.063
  230   3HD1  LEU  29          HD11      LEU  29  56.102   6.625  -6.550
  231   1HD2  LEU  29          HD23      LEU  29  56.441   2.906  -7.293
  232   2HD2  LEU  29          HD22      LEU  29  57.407   3.936  -6.237
  233   3HD2  LEU  29          HD21      LEU  29  55.647   3.990  -6.152
  234    H    GLY  30           HN       GLY  30  57.978   5.093 -12.432
  235   1HA   GLY  30           HA2      GLY  30  58.374   7.313 -13.255
  236   2HA   GLY  30           HA1      GLY  30  58.116   7.936 -11.623
  237    H    ALA  31           HN       ALA  31  59.954   8.681 -10.698
  238    HA   ALA  31           HA       ALA  31  62.242   8.880 -10.147
  239   1HB   ALA  31           HB3      ALA  31  61.481   6.321  -9.783
  240   2HB   ALA  31           HB2      ALA  31  62.696   6.070 -11.038
  241   3HB   ALA  31           HB1      ALA  31  63.143   6.850  -9.521
  242    H    GLU  32           HN       GLU  32  64.294   9.201 -11.193
  243    HA   GLU  32           HA       GLU  32  64.402  10.029 -13.821
  244   1HB   GLU  32           HB2      GLU  32  66.222   9.259 -11.721
  245   2HB   GLU  32           HB1      GLU  32  66.869   8.730 -13.275
  246   1HG   GLU  32           HG2      GLU  32  66.827  10.932 -14.166
  247   2HG   GLU  32           HG1      GLU  32  65.785  11.520 -12.869
  248    H    ASP  33           HN       ASP  33  65.797   6.855 -12.920
  249    HA   ASP  33           HA       ASP  33  64.377   5.492 -15.100
  250   1HB   ASP  33           HB2      ASP  33  66.621   4.953 -16.214
  251   2HB   ASP  33           HB1      ASP  33  66.054   6.615 -16.395
  252    H    GLY  34           HN       GLY  34  64.031   4.554 -12.712
  253   1HA   GLY  34           HA2      GLY  34  64.294   2.188 -12.010
  254   2HA   GLY  34           HA1      GLY  34  66.010   2.336 -12.389
  255    H    CYS  35           HN       CYS  35  63.908   4.577 -10.579
  256    HA   CYS  35           HA       CYS  35  65.537   4.013  -8.131
  257   1HB   CYS  35           HB2      CYS  35  65.047   6.603  -9.599
  258   2HB   CYS  35           HB1      CYS  35  65.439   6.604  -7.880
  259    HG   CYS  35           HG       CYS  35  67.754   6.626  -8.914
  260    H    ILE  36           HN       ILE  36  64.438   4.852  -6.141
  261    HA   ILE  36           HA       ILE  36  61.465   5.083  -6.504
  262    HB   ILE  36           HB       ILE  36  61.272   3.671  -4.502
  263   1HG1  ILE  36          HG12      ILE  36  64.303   3.541  -4.601
  264   2HG1  ILE  36          HG11      ILE  36  63.382   4.488  -3.431
  265   1HG2  ILE  36          HG22      ILE  36  61.974   2.822  -6.991
  266   2HG2  ILE  36          HG21      ILE  36  63.274   2.114  -6.032
  267   3HG2  ILE  36          HG23      ILE  36  61.593   1.729  -5.660
  268   1HD1  ILE  36          HD13      ILE  36  63.050   1.500  -3.801
  269   2HD1  ILE  36          HD12      ILE  36  64.101   2.222  -2.583
  270   3HD1  ILE  36          HD11      ILE  36  62.360   2.497  -2.520
  271    H    SER  37           HN       SER  37  60.404   6.182  -4.616
  272    HA   SER  37           HA       SER  37  61.952   8.538  -3.785
  273   1HB   SER  37           HB2      SER  37  59.624   8.701  -4.535
  274   2HB   SER  37           HB1      SER  37  59.116   7.581  -3.275
  275    HG   SER  37           HG       SER  37  59.193   9.152  -1.874
  276    H    THR  38           HN       THR  38  62.673   8.946  -1.685
  277    HA   THR  38           HA       THR  38  63.379   6.904   0.086
  278    HB   THR  38           HB       THR  38  63.548   8.779   1.734
  279    HG1  THR  38           HG1      THR  38  62.921  10.864   0.542
  280   1HG2  THR  38          HG22      THR  38  64.624   8.754  -0.989
  281   2HG2  THR  38          HG21      THR  38  64.631  10.362  -0.262
  282   3HG2  THR  38          HG23      THR  38  65.453   9.025   0.543
  283    H    LYS  39           HN       LYS  39  60.246   8.358  -0.383
  284    HA   LYS  39           HA       LYS  39  59.141   7.493   2.190
  285   1HB   LYS  39           HB2      LYS  39  58.532   9.397   0.361
  286   2HB   LYS  39           HB1      LYS  39  57.407   8.135  -0.141
  287   1HG   LYS  39           HG2      LYS  39  56.699   7.957   2.294
  288   2HG   LYS  39           HG1      LYS  39  57.632   9.424   2.588
  289   1HD   LYS  39           HD2      LYS  39  55.200   9.863   2.144
  290   2HD   LYS  39           HD1      LYS  39  56.278  10.671   1.006
  291   1HE   LYS  39           HE2      LYS  39  55.575   9.392  -0.765
  292   2HE   LYS  39           HE1      LYS  39  55.402   7.933   0.233
  293   1HZ   LYS  39           HZ3      LYS  39  53.466   8.954   1.294
  294   2HZ   LYS  39           HZ2      LYS  39  53.606  10.302   0.270
  295   3HZ   LYS  39           HZ1      LYS  39  53.230   8.777  -0.376
  296    H    GLU  40           HN       GLU  40  59.482   6.156  -1.030
  297    HA   GLU  40           HA       GLU  40  57.444   4.077  -0.645
  298   1HB   GLU  40           HB2      GLU  40  59.599   4.632  -2.706
  299   2HB   GLU  40           HB1      GLU  40  58.449   3.302  -2.841
  300   1HG   GLU  40           HG2      GLU  40  57.542   6.154  -2.437
  301   2HG   GLU  40           HG1      GLU  40  57.825   5.485  -4.045
  302    H    LEU  41           HN       LEU  41  60.952   4.382  -0.327
  303    HA   LEU  41           HA       LEU  41  61.804   1.721  -0.263
  304   1HB   LEU  41           HB2      LEU  41  63.028   3.986   0.069
  305   2HB   LEU  41           HB1      LEU  41  62.646   3.782   1.778
  306    HG   LEU  41           HG       LEU  41  64.163   1.791   0.067
  307   1HD1  LEU  41          HD12      LEU  41  64.970   4.112   1.643
  308   2HD1  LEU  41          HD11      LEU  41  65.742   2.631   2.206
  309   3HD1  LEU  41          HD13      LEU  41  65.920   3.134   0.525
  310   1HD2  LEU  41          HD23      LEU  41  63.022   1.740   2.826
  311   2HD2  LEU  41          HD22      LEU  41  63.226   0.422   1.672
  312   3HD2  LEU  41          HD21      LEU  41  64.610   1.009   2.593
  313    H    GLY  42           HN       GLY  42  60.096   3.544   2.265
  314   1HA   GLY  42           HA2      GLY  42  60.340   1.898   4.477
  315   2HA   GLY  42           HA1      GLY  42  58.829   2.714   4.073
  316    H    LYS  43           HN       LYS  43  57.631   1.524   2.154
  317    HA   LYS  43           HA       LYS  43  56.754  -1.005   3.049
  318   1HB   LYS  43           HB2      LYS  43  56.542   0.713   0.662
  319   2HB   LYS  43           HB1      LYS  43  56.268  -1.000   0.339
  320   1HG   LYS  43           HG2      LYS  43  54.351  -1.071   1.592
  321   2HG   LYS  43           HG1      LYS  43  54.949   0.108   2.760
  322   1HD   LYS  43           HD2      LYS  43  54.707   1.852   0.896
  323   2HD   LYS  43           HD1      LYS  43  53.780   0.632   0.023
  324   1HE   LYS  43           HE2      LYS  43  51.982   0.783   1.455
  325   2HE   LYS  43           HE1      LYS  43  53.006   1.115   2.866
  326   1HZ   LYS  43           HZ1      LYS  43  52.920   3.050   0.654
  327   2HZ   LYS  43           HZ3      LYS  43  51.653   3.038   1.782
  328   3HZ   LYS  43           HZ2      LYS  43  53.247   3.313   2.300
  329    H    VAL  44           HN       VAL  44  59.373  -0.174   0.809
  330    HA   VAL  44           HA       VAL  44  59.869  -2.819  -0.190
  331    HB   VAL  44           HB       VAL  44  61.410  -0.241   0.089
  332   1HG1  VAL  44          HG13      VAL  44  63.030  -2.116   0.295
  333   2HG1  VAL  44          HG12      VAL  44  62.414  -2.789  -1.214
  334   3HG1  VAL  44          HG11      VAL  44  63.233  -1.228  -1.213
  335   1HG2  VAL  44          HG23      VAL  44  59.592  -1.371  -1.786
  336   2HG2  VAL  44          HG22      VAL  44  60.464   0.158  -1.914
  337   3HG2  VAL  44          HG21      VAL  44  61.174  -1.320  -2.564
  338    H    MET  45           HN       MET  45  60.811  -1.155   2.766
  339    HA   MET  45           HA       MET  45  62.879  -3.097   3.495
  340   1HB   MET  45           HB2      MET  45  61.512  -0.704   4.685
  341   2HB   MET  45           HB1      MET  45  62.446  -1.762   5.745
  342   1HG   MET  45           HG2      MET  45  63.711  -0.937   3.173
  343   2HG   MET  45           HG1      MET  45  63.583   0.282   4.441
  344   1HE   MET  45           HE2      MET  45  65.645   0.698   4.442
  345   2HE   MET  45           HE1      MET  45  66.316   0.272   6.014
  346   3HE   MET  45           HE3      MET  45  67.044  -0.368   4.535
  347    H    ARG  46           HN       ARG  46  59.450  -2.571   4.214
  348    HA   ARG  46           HA       ARG  46  59.269  -4.499   6.364
  349   1HB   ARG  46           HB2      ARG  46  57.121  -3.538   4.451
  350   2HB   ARG  46           HB1      ARG  46  56.898  -4.102   6.107
  351   1HG   ARG  46           HG2      ARG  46  58.837  -1.972   6.075
  352   2HG   ARG  46           HG1      ARG  46  57.370  -1.445   5.248
  353   1HD   ARG  46           HD2      ARG  46  56.427  -2.831   7.493
  354   2HD   ARG  46           HD1      ARG  46  57.800  -1.881   8.094
  355    HE   ARG  46           HE       ARG  46  56.438  -0.130   6.418
  356   1HH1  ARG  46          HH11      ARG  46  55.871  -1.939   9.298
  357   2HH1  ARG  46          HH12      ARG  46  54.557  -0.942   9.824
  358   1HH2  ARG  46          HH21      ARG  46  54.647   1.116   7.035
  359   2HH2  ARG  46          HH22      ARG  46  53.865   0.787   8.546
  360    H    MET  47           HN       MET  47  59.442  -4.780   2.919
  361    HA   MET  47           HA       MET  47  58.055  -7.349   2.723
  362   1HB   MET  47           HB2      MET  47  59.512  -5.418   0.999
  363   2HB   MET  47           HB1      MET  47  59.508  -7.092   0.444
  364   1HG   MET  47           HG2      MET  47  57.197  -7.149   0.195
  365   2HG   MET  47           HG1      MET  47  56.935  -5.869   1.378
  366   1HE   MET  47           HE1      MET  47  59.045  -6.713  -1.407
  367   2HE   MET  47           HE3      MET  47  58.268  -5.975  -2.815
  368   3HE   MET  47           HE2      MET  47  59.577  -5.136  -1.986
  369    H    LEU  48           HN       LEU  48  61.375  -6.255   3.194
  370    HA   LEU  48           HA       LEU  48  62.450  -8.990   2.806
  371   1HB   LEU  48           HB2      LEU  48  63.472  -6.197   3.110
  372   2HB   LEU  48           HB1      LEU  48  64.555  -7.515   3.562
  373    HG   LEU  48           HG       LEU  48  63.409  -8.340   1.143
  374   1HD1  LEU  48          HD13      LEU  48  64.131  -5.396   1.107
  375   2HD1  LEU  48          HD12      LEU  48  64.007  -6.390  -0.344
  376   3HD1  LEU  48          HD11      LEU  48  62.585  -6.118   0.663
  377   1HD2  LEU  48          HD22      LEU  48  65.784  -8.551   2.069
  378   2HD2  LEU  48          HD21      LEU  48  65.660  -8.231   0.339
  379   3HD2  LEU  48          HD23      LEU  48  66.068  -6.924   1.450
  380    H    GLY  49           HN       GLY  49  61.453  -6.858   5.376
  381   1HA   GLY  49           HA2      GLY  49  61.000  -8.185   7.519
  382   2HA   GLY  49           HA1      GLY  49  62.674  -8.720   7.375
  383    H    GLN  50           HN       GLN  50  61.607  -5.453   6.600
  384    HA   GLN  50           HA       GLN  50  62.920  -4.465   9.105
  385   1HB   GLN  50           HB2      GLN  50  63.456  -3.832   6.208
  386   2HB   GLN  50           HB1      GLN  50  63.818  -2.638   7.456
  387   1HG   GLN  50           HG2      GLN  50  64.762  -5.422   7.939
  388   2HG   GLN  50           HG1      GLN  50  65.608  -4.495   6.699
  389   1HE2  GLN  50          HE22      GLN  50  67.515  -3.417   9.549
  390   2HE2  GLN  50          HE21      GLN  50  67.480  -4.567   8.302
  391    H    ASN  51           HN       ASN  51  61.603  -3.009  10.130
  392    HA   ASN  51           HA       ASN  51  59.677  -1.415   8.483
  393   1HB   ASN  51           HB2      ASN  51  57.987  -1.921  10.274
  394   2HB   ASN  51           HB1      ASN  51  58.510  -3.355   9.390
  395   1HD2  ASN  51          HD22      ASN  51  59.802  -4.925  12.261
  396   2HD2  ASN  51          HD21      ASN  51  59.360  -5.054  10.627
  397    HA   PRO  52           HA       PRO  52  62.020   1.002  11.739
  398   1HB   PRO  52           HB2      PRO  52  63.275   2.730  10.029
  399   2HB   PRO  52           HB1      PRO  52  63.975   1.172  10.514
  400   1HG   PRO  52           HG2      PRO  52  62.579   1.918   7.996
  401   2HG   PRO  52           HG1      PRO  52  63.968   0.849   8.245
  402   1HD   PRO  52           HD2      PRO  52  61.411  -0.037   7.829
  403   2HD   PRO  52           HD1      PRO  52  62.654  -0.962   8.700
  404    H    THR  53           HN       THR  53  61.571   3.290  12.276
  405    HA   THR  53           HA       THR  53  58.934   4.154  11.423
  406    HB   THR  53           HB       THR  53  59.391   5.975  13.011
  407    HG1  THR  53           HG1      THR  53  61.391   6.626  12.870
  408   1HG2  THR  53          HG23      THR  53  59.750   3.159  13.578
  409   2HG2  THR  53          HG22      THR  53  60.670   4.144  14.714
  410   3HG2  THR  53          HG21      THR  53  58.933   4.391  14.539
  411    HA   PRO  54           HA       PRO  54  60.047   6.771   8.080
  412   1HB   PRO  54           HB2      PRO  54  58.134   8.718   8.297
  413   2HB   PRO  54           HB1      PRO  54  57.783   7.076   7.720
  414   1HG   PRO  54           HG2      PRO  54  57.309   8.282  10.396
  415   2HG   PRO  54           HG1      PRO  54  56.315   7.140   9.479
  416   1HD   PRO  54           HD2      PRO  54  57.933   6.418  11.564
  417   2HD   PRO  54           HD1      PRO  54  57.470   5.323  10.243
  418    H    GLU  55           HN       GLU  55  60.082   7.907  11.335
  419    HA   GLU  55           HA       GLU  55  61.106  10.593  10.725
  420   1HB   GLU  55           HB2      GLU  55  60.181   9.005  12.995
  421   2HB   GLU  55           HB1      GLU  55  61.618   9.947  13.398
  422   1HG   GLU  55           HG2      GLU  55  60.467  11.959  12.382
  423   2HG   GLU  55           HG1      GLU  55  59.003  10.983  12.275
  424    H    GLU  56           HN       GLU  56  62.422   7.413  11.467
  425    HA   GLU  56           HA       GLU  56  65.147   8.447  11.917
  426   1HB   GLU  56           HB2      GLU  56  63.593   6.011  12.298
  427   2HB   GLU  56           HB1      GLU  56  65.177   5.662  11.603
  428   1HG   GLU  56           HG2      GLU  56  66.326   6.574  13.426
  429   2HG   GLU  56           HG1      GLU  56  64.948   7.557  13.926
  430    H    LEU  57           HN       LEU  57  63.226   7.204   9.280
  431    HA   LEU  57           HA       LEU  57  65.425   6.371   7.578
  432   1HB   LEU  57           HB2      LEU  57  62.513   7.093   7.162
  433   2HB   LEU  57           HB1      LEU  57  63.543   6.523   5.849
  434    HG   LEU  57           HG       LEU  57  63.184   5.005   8.443
  435   1HD1  LEU  57          HD12      LEU  57  61.529   5.108   5.967
  436   2HD1  LEU  57          HD11      LEU  57  61.848   3.513   6.648
  437   3HD1  LEU  57          HD13      LEU  57  61.050   4.745   7.625
  438   1HD2  LEU  57          HD21      LEU  57  65.154   4.753   6.631
  439   2HD2  LEU  57          HD23      LEU  57  64.471   3.360   7.469
  440   3HD2  LEU  57          HD22      LEU  57  63.933   3.759   5.838
  441    H    GLN  58           HN       GLN  58  63.219   9.197   7.346
  442    HA   GLN  58           HA       GLN  58  64.492  10.619   5.314
  443   1HB   GLN  58           HB2      GLN  58  62.628  11.068   7.461
  444   2HB   GLN  58           HB1      GLN  58  63.697  12.465   7.327
  445   1HG   GLN  58           HG2      GLN  58  61.758  12.759   5.857
  446   2HG   GLN  58           HG1      GLN  58  63.221  12.567   4.890
  447   1HE2  GLN  58          HE22      GLN  58  61.942   9.762   3.208
  448   2HE2  GLN  58          HE21      GLN  58  63.034  11.062   3.229
  449    H    GLU  59           HN       GLU  59  65.472  10.306   8.698
  450    HA   GLU  59           HA       GLU  59  67.446  12.402   8.711
  451   1HB   GLU  59           HB2      GLU  59  67.204   9.817  10.288
  452   2HB   GLU  59           HB1      GLU  59  68.204  11.196  10.745
  453   1HG   GLU  59           HG2      GLU  59  65.346  11.774  10.164
  454   2HG   GLU  59           HG1      GLU  59  65.681  10.874  11.644
  455    H    MET  60           HN       MET  60  67.737   8.861   8.232
  456    HA   MET  60           HA       MET  60  70.557   8.820   7.759
  457   1HB   MET  60           HB2      MET  60  68.346   7.060   7.844
  458   2HB   MET  60           HB1      MET  60  69.089   6.824   6.262
  459   1HG   MET  60           HG2      MET  60  70.461   5.417   7.434
  460   2HG   MET  60           HG1      MET  60  71.313   6.916   7.803
  461   1HE   MET  60           HE2      MET  60  69.457   4.005   8.765
  462   2HE   MET  60           HE1      MET  60  68.985   4.137  10.457
  463   3HE   MET  60           HE3      MET  60  68.019   4.926   9.202
  464    H    ILE  61           HN       ILE  61  67.791   9.146   5.526
  465    HA   ILE  61           HA       ILE  61  69.258   9.085   3.078
  466    HB   ILE  61           HB       ILE  61  66.654  10.300   4.012
  467   1HG1  ILE  61          HG12      ILE  61  66.709   8.259   1.896
  468   2HG1  ILE  61          HG11      ILE  61  67.420   7.714   3.416
  469   1HG2  ILE  61          HG23      ILE  61  67.952  10.425   1.289
  470   2HG2  ILE  61          HG22      ILE  61  66.199  10.472   1.471
  471   3HG2  ILE  61          HG21      ILE  61  67.195  11.729   2.204
  472   1HD1  ILE  61          HD11      ILE  61  64.763   9.142   3.356
  473   2HD1  ILE  61          HD13      ILE  61  64.871   7.398   3.115
  474   3HD1  ILE  61          HD12      ILE  61  65.429   8.115   4.626
  475    H    ASP  62           HN       ASP  62  69.248  11.420   5.577
  476    HA   ASP  62           HA       ASP  62  69.550  13.861   4.128
  477   1HB   ASP  62           HB2      ASP  62  69.142  13.619   6.561
  478   2HB   ASP  62           HB1      ASP  62  70.763  12.949   6.758
  479    H    GLU  63           HN       GLU  63  72.170  11.938   5.658
  480    HA   GLU  63           HA       GLU  63  74.257  13.273   4.162
  481   1HB   GLU  63           HB2      GLU  63  75.675  11.729   5.329
  482   2HB   GLU  63           HB1      GLU  63  74.346  12.092   6.430
  483   1HG   GLU  63           HG2      GLU  63  73.204  10.013   5.314
  484   2HG   GLU  63           HG1      GLU  63  74.850   9.592   4.838
  485    H    VAL  64           HN       VAL  64  72.048  10.787   3.346
  486    HA   VAL  64           HA       VAL  64  73.816   9.454   1.394
  487    HB   VAL  64           HB       VAL  64  70.876   9.231   2.115
  488   1HG1  VAL  64          HG11      VAL  64  72.149   8.367  -0.231
  489   2HG1  VAL  64          HG13      VAL  64  72.062   6.932   0.792
  490   3HG1  VAL  64          HG12      VAL  64  70.591   7.815   0.384
  491   1HG2  VAL  64          HG23      VAL  64  72.791   8.557   3.753
  492   2HG2  VAL  64          HG22      VAL  64  71.499   7.395   3.453
  493   3HG2  VAL  64          HG21      VAL  64  73.054   7.212   2.641
  494    H    ASP  65           HN       ASP  65  70.897  11.524   1.329
  495    HA   ASP  65           HA       ASP  65  70.995  11.754  -1.602
  496   1HB   ASP  65           HB2      ASP  65  69.243  12.497   0.671
  497   2HB   ASP  65           HB1      ASP  65  69.178  13.586  -0.714
  498    H    GLU  66           HN       GLU  66  73.417  12.647  -0.921
  499    HA   GLU  66           HA       GLU  66  73.693  15.354  -0.057
  500   1HB   GLU  66           HB2      GLU  66  75.334  13.571  -1.882
  501   2HB   GLU  66           HB1      GLU  66  75.911  15.111  -1.246
  502   1HG   GLU  66           HG2      GLU  66  74.847  13.643   0.947
  503   2HG   GLU  66           HG1      GLU  66  75.898  12.550   0.045
  504    H    ASP  67           HN       ASP  67  72.409  14.069  -2.968
  505    HA   ASP  67           HA       ASP  67  73.070  16.410  -4.635
  506   1HB   ASP  67           HB2      ASP  67  71.724  15.134  -6.298
  507   2HB   ASP  67           HB1      ASP  67  72.968  14.129  -5.553
  508    H    GLY  68           HN       GLY  68  70.279  15.098  -2.876
  509   1HA   GLY  68           HA2      GLY  68  68.521  16.467  -1.964
  510   2HA   GLY  68           HA1      GLY  68  68.977  17.753  -3.082
  511    H    SER  69           HN       SER  69  68.025  14.320  -3.477
  512    HA   SER  69           HA       SER  69  65.998  15.252  -5.487
  513   1HB   SER  69           HB2      SER  69  68.221  13.968  -6.129
  514   2HB   SER  69           HB1      SER  69  67.325  12.558  -5.571
  515    HG   SER  69           HG       SER  69  65.704  13.070  -7.061
  516    H    GLY  70           HN       GLY  70  66.583  13.519  -2.588
  517   1HA   GLY  70           HA2      GLY  70  65.189  12.206  -1.233
  518   2HA   GLY  70           HA1      GLY  70  63.848  13.002  -2.059
  519    H    THR  71           HN       THR  71  66.330  10.950  -3.546
  520    HA   THR  71           HA       THR  71  64.345   8.767  -3.914
  521    HB   THR  71           HB       THR  71  65.195   8.960  -6.443
  522    HG1  THR  71           HG1      THR  71  65.147  11.656  -5.607
  523   1HG2  THR  71          HG22      THR  71  62.848   9.081  -5.656
  524   2HG2  THR  71          HG21      THR  71  63.087  10.780  -5.248
  525   3HG2  THR  71          HG23      THR  71  63.172  10.257  -6.930
  526    H    VAL  72           HN       VAL  72  65.376   6.789  -3.885
  527    HA   VAL  72           HA       VAL  72  68.368   6.810  -3.928
  528    HB   VAL  72           HB       VAL  72  67.874   4.494  -2.795
  529   1HG1  VAL  72          HG12      VAL  72  67.640   7.255  -1.678
  530   2HG1  VAL  72          HG11      VAL  72  67.331   5.884  -0.612
  531   3HG1  VAL  72          HG13      VAL  72  68.893   6.038  -1.416
  532   1HG2  VAL  72          HG22      VAL  72  65.327   4.956  -3.416
  533   2HG2  VAL  72          HG21      VAL  72  65.761   4.127  -1.922
  534   3HG2  VAL  72          HG23      VAL  72  65.359   5.844  -1.892
  535    H    ASP  73           HN       ASP  73  69.042   4.334  -4.421
  536    HA   ASP  73           HA       ASP  73  67.594   3.254  -6.772
  537   1HB   ASP  73           HB2      ASP  73  69.358   5.117  -7.317
  538   2HB   ASP  73           HB1      ASP  73  70.545   3.868  -6.938
  539    H    PHE  74           HN       PHE  74  69.491   1.386  -7.552
  540    HA   PHE  74           HA       PHE  74  69.377  -0.551  -5.419
  541   1HB   PHE  74           HB2      PHE  74  69.664  -0.573  -8.128
  542   2HB   PHE  74           HB1      PHE  74  71.328  -0.886  -7.632
  543    HD1  PHE  74           HD1      PHE  74  67.809  -2.016  -7.089
  544    HD2  PHE  74           HD2      PHE  74  71.978  -3.020  -6.878
  545    HE1  PHE  74           HE1      PHE  74  67.214  -4.368  -6.576
  546    HE2  PHE  74           HE2      PHE  74  71.385  -5.375  -6.367
  547    HZ   PHE  74           HZ       PHE  74  69.002  -6.048  -6.215
  548    H    ASP  75           HN       ASP  75  71.733   1.842  -6.366
  549    HA   ASP  75           HA       ASP  75  73.945   0.615  -4.871
  550   1HB   ASP  75           HB2      ASP  75  73.449   3.195  -6.366
  551   2HB   ASP  75           HB1      ASP  75  74.948   2.923  -5.476
  552    H    GLU  76           HN       GLU  76  71.780   3.441  -4.457
  553    HA   GLU  76           HA       GLU  76  72.943   4.190  -1.896
  554   1HB   GLU  76           HB2      GLU  76  70.282   4.913  -3.158
  555   2HB   GLU  76           HB1      GLU  76  71.140   5.829  -1.920
  556   1HG   GLU  76           HG2      GLU  76  72.406   5.210  -4.591
  557   2HG   GLU  76           HG1      GLU  76  71.397   6.637  -4.353
  558    H    PHE  77           HN       PHE  77  69.861   2.615  -2.862
  559    HA   PHE  77           HA       PHE  77  68.777   2.255  -0.272
  560   1HB   PHE  77           HB2      PHE  77  67.555   1.873  -2.350
  561   2HB   PHE  77           HB1      PHE  77  68.642   0.552  -2.781
  562    HD1  PHE  77           HD1      PHE  77  67.591   1.105   0.698
  563    HD2  PHE  77           HD2      PHE  77  66.828  -1.100  -2.909
  564    HE1  PHE  77           HE1      PHE  77  66.169  -0.482   1.968
  565    HE2  PHE  77           HE2      PHE  77  65.407  -2.685  -1.639
  566    HZ   PHE  77           HZ       PHE  77  65.077  -2.377   0.799
  567    H    LEU  78           HN       LEU  78  70.726  -0.088  -2.172
  568    HA   LEU  78           HA       LEU  78  70.953  -2.184  -0.371
  569   1HB   LEU  78           HB2      LEU  78  72.721  -0.896  -2.406
  570   2HB   LEU  78           HB1      LEU  78  73.438  -2.135  -1.376
  571    HG   LEU  78           HG       LEU  78  70.867  -2.521  -2.931
  572   1HD1  LEU  78          HD13      LEU  78  73.503  -2.396  -3.924
  573   2HD1  LEU  78          HD12      LEU  78  73.115  -4.113  -3.816
  574   3HD1  LEU  78          HD11      LEU  78  72.085  -3.033  -4.755
  575   1HD2  LEU  78          HD21      LEU  78  72.700  -4.374  -1.381
  576   2HD2  LEU  78          HD23      LEU  78  71.021  -3.984  -1.007
  577   3HD2  LEU  78          HD22      LEU  78  71.407  -4.940  -2.438
  578    H    VAL  79           HN       VAL  79  73.123   0.674  -0.460
  579    HA   VAL  79           HA       VAL  79  74.678   0.019   1.825
  580    HB   VAL  79           HB       VAL  79  73.831   2.682   0.642
  581   1HG1  VAL  79          HG12      VAL  79  74.738   2.916   2.933
  582   2HG1  VAL  79          HG11      VAL  79  76.165   1.996   2.456
  583   3HG1  VAL  79          HG13      VAL  79  75.851   3.574   1.734
  584   1HG2  VAL  79          HG21      VAL  79  76.161   0.809   0.145
  585   2HG2  VAL  79          HG23      VAL  79  74.942   1.339  -1.015
  586   3HG2  VAL  79          HG22      VAL  79  76.139   2.484  -0.409
  587    H    MET  80           HN       MET  80  71.801   2.153   1.604
  588    HA   MET  80           HA       MET  80  71.584   2.843   4.332
  589   1HB   MET  80           HB2      MET  80  69.688   2.490   2.024
  590   2HB   MET  80           HB1      MET  80  69.049   2.899   3.616
  591   1HG   MET  80           HG2      MET  80  69.834   5.023   3.512
  592   2HG   MET  80           HG1      MET  80  71.384   4.507   2.849
  593   1HE   MET  80           HE3      MET  80  67.998   5.394   2.648
  594   2HE   MET  80           HE2      MET  80  67.995   6.526   1.298
  595   3HE   MET  80           HE1      MET  80  67.390   4.888   1.066
  596    H    MET  81           HN       MET  81  71.085  -0.228   2.825
  597    HA   MET  81           HA       MET  81  69.245  -1.297   4.830
  598   1HB   MET  81           HB2      MET  81  70.439  -2.012   2.303
  599   2HB   MET  81           HB1      MET  81  70.626  -3.348   3.441
  600   1HG   MET  81           HG2      MET  81  67.987  -1.923   3.073
  601   2HG   MET  81           HG1      MET  81  68.451  -3.303   2.076
  602   1HE   MET  81           HE3      MET  81  69.326  -5.262   2.789
  603   2HE   MET  81           HE2      MET  81  69.039  -6.141   4.288
  604   3HE   MET  81           HE1      MET  81  67.737  -5.967   3.115
  605    H    VAL  82           HN       VAL  82  72.608  -2.239   3.991
  606    HA   VAL  82           HA       VAL  82  73.179  -3.784   6.258
  607    HB   VAL  82           HB       VAL  82  75.552  -3.137   5.728
  608   1HG1  VAL  82          HG11      VAL  82  73.588  -4.356   4.028
  609   2HG1  VAL  82          HG13      VAL  82  74.738  -3.476   3.020
  610   3HG1  VAL  82          HG12      VAL  82  75.312  -4.712   4.140
  611   1HG2  VAL  82          HG22      VAL  82  74.622  -0.728   5.079
  612   2HG2  VAL  82          HG21      VAL  82  76.061  -1.382   4.297
  613   3HG2  VAL  82          HG23      VAL  82  74.501  -1.460   3.479
  614    H    ARG  83           HN       ARG  83  72.821  -0.325   6.038
  615    HA   ARG  83           HA       ARG  83  74.379   0.514   8.276
  616   1HB   ARG  83           HB2      ARG  83  72.843   1.673   6.358
  617   2HB   ARG  83           HB1      ARG  83  71.767   1.825   7.747
  618   1HG   ARG  83           HG2      ARG  83  73.757   2.776   9.025
  619   2HG   ARG  83           HG1      ARG  83  74.594   2.870   7.475
  620   1HD   ARG  83           HD2      ARG  83  72.511   4.169   6.640
  621   2HD   ARG  83           HD1      ARG  83  72.122   4.366   8.360
  622    HE   ARG  83           HE       ARG  83  74.255   5.530   8.659
  623   1HH1  ARG  83          HH11      ARG  83  76.272   4.901   6.965
  624   2HH1  ARG  83          HH12      ARG  83  76.128   5.911   5.565
  625   1HH2  ARG  83          HH21      ARG  83  72.821   6.754   6.186
  626   2HH2  ARG  83          HH22      ARG  83  74.174   6.960   5.124
  627    H    CYS  84           HN       CYS  84  70.970  -0.546   8.077
  628    HA   CYS  84           HA       CYS  84  70.738  -0.432  11.036
  629   1HB   CYS  84           HB2      CYS  84  68.984  -0.481   8.655
  630   2HB   CYS  84           HB1      CYS  84  68.365  -1.379  10.041
  631    HG   CYS  84           HG       CYS  84  68.248   1.559   9.839
  632    H    MET  85           HN       MET  85  69.265  -2.844   8.908
  633    HA   MET  85           HA       MET  85  69.259  -5.204   9.049
  634   1HB   MET  85           HB2      MET  85  72.001  -4.180   9.322
  635   2HB   MET  85           HB1      MET  85  71.794  -5.800   9.986
  636   1HG   MET  85           HG2      MET  85  70.694  -5.100   7.270
  637   2HG   MET  85           HG1      MET  85  72.379  -5.580   7.463
  638   1HE   MET  85           HE2      MET  85  71.635  -7.391   5.672
  639   2HE   MET  85           HE1      MET  85  70.472  -8.680   5.972
  640   3HE   MET  85           HE3      MET  85  69.919  -7.010   5.790
  641    H    LYS  86           HN       LYS  86  68.116  -3.940  11.288
  642    HA   LYS  86           HA       LYS  86  67.552  -4.345  13.547
  643   1HB   LYS  86           HB2      LYS  86  67.682  -6.681  12.132
  644   2HB   LYS  86           HB1      LYS  86  68.806  -7.024  13.448
  645   1HG   LYS  86           HG2      LYS  86  65.967  -6.016  13.797
  646   2HG   LYS  86           HG1      LYS  86  66.490  -7.683  14.038
  647   1HD   LYS  86           HD2      LYS  86  68.214  -6.688  15.697
  648   2HD   LYS  86           HD1      LYS  86  67.208  -5.240  15.655
  649   1HE   LYS  86           HE2      LYS  86  66.174  -8.020  16.325
  650   2HE   LYS  86           HE1      LYS  86  66.551  -6.765  17.522
  651   1HZ   LYS  86           HZ2      LYS  86  64.734  -6.324  15.218
  652   2HZ   LYS  86           HZ1      LYS  86  64.180  -6.800  16.752
  653   3HZ   LYS  86           HZ3      LYS  86  64.968  -5.310  16.561
  654    H    ASP  87           HN       ASP  87  70.204  -3.178  12.990
  655    HA   ASP  87           HA       ASP  87  72.331  -2.885  14.014
  656   1HB   ASP  87           HB2      ASP  87  71.990  -2.295  16.306
  657   2HB   ASP  87           HB1      ASP  87  70.450  -1.983  15.506
  658    H    ASP  88           HN       ASP  88  73.225  -3.977  16.506
  659    HA   ASP  88           HA       ASP  88  73.122  -6.913  16.306
  660   1HB   ASP  88           HB2      ASP  88  74.824  -5.653  14.629
  661   2HB   ASP  88           HB1      ASP  88  75.853  -5.747  16.058
  662    H    SER  89           HN       SER  89  72.708  -4.668  18.309
  663    HA   SER  89           HA       SER  89  74.872  -5.182  20.280
  664   1HB   SER  89           HB2      SER  89  74.253  -2.898  20.047
  665   2HB   SER  89           HB1      SER  89  72.535  -3.285  20.019
  666    HG   SER  89           HG       SER  89  74.199  -3.838  22.242
   
  No H/Q in entry =         666