*HEADER   CALCIUM-BINDING                         24-JUL-97   1AP4    
*TITLE    REGULATORY DOMAIN OF HUMAN CARDIAC TROPONIN C IN THE        
*TITLE   2 CALCIUM-SATURATED STATE, NMR, 40 STRUCTURES                
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: CARDIAC N-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 TISSUE: CARDIAC MUSCLE;                                    
*SOURCE  5 PLASMID: PET3D;                                            
*SOURCE  6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                       
*SOURCE  7 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3) PLYSS;                
*SOURCE  8 EXPRESSION_SYSTEM_PLASMID: PET3D                           
*KEYWDS   CALCIUM-BINDING, REGULATION, TROPONIN C, CARDIAC MUSCLE     
*KEYWDS  2 CONTRACTION                                                
*EXPDTA   NMR, 40 STRUCTURES                                          
*AUTHOR   M.X.LI,L.SPYRACOPOULOS,S.K.SIA,S.M.GAGNE,M.CHANDRA,         
*AUTHOR  2 R.J.SOLARO,B.D.SYKES                                       
*REVDAT  1   15-JUL-98 1AP4    0                                      
 
!
!  PHI DIHEDRAL RESTRAINTS
!
assign (resid   5 and name    C) (resid   6 and name    N)
       (resid   6 and name   CA) (resid   6 and name    C)  1.0  -62.5   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  -66.0   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  -66.0   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  -63.5   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  -51.0   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  -61.5   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  -66.0   20.0 2
assign (resid  16 and name    C) (resid  17 and name    N)
       (resid  17 and name   CA) (resid  17 and name    C)  1.0  -59.5   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  -68.0   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  -63.5   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  22 and name    C) (resid  23 and name    N)
       (resid  23 and name   CA) (resid  23 and name    C)  1.0  -70.5   20.0 2
assign (resid  23 and name    C) (resid  24 and name    N)
       (resid  24 and name   CA) (resid  24 and name    C)  1.0  -45.5   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  -51.0   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  -75.0   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  -71.5   20.0 2
assign (resid  28 and name    C) (resid  29 and name    N)
       (resid  29 and name   CA) (resid  29 and name    C)  1.0  -60.5   20.0 2
assign (resid  32 and name    C) (resid  33 and name    N)
       (resid  33 and name   CA) (resid  33 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 -120.0   33.0 2
assign (resid  37 and name    C) (resid  38 and name    N)
       (resid  38 and name   CA) (resid  38 and name    C)  1.0  -65.0   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  -88.0   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  -68.0   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  -62.5   20.0 2
assign (resid  44 and name    C) (resid  45 and name    N)
       (resid  45 and name   CA) (resid  45 and name    C)  1.0  -57.0   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  -63.5   20.0 2
assign (resid  49 and name    C) (resid  50 and name    N)
       (resid  50 and name   CA) (resid  50 and name    C)  1.0 -120.0   31.0 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   31.0 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  -69.0   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  -59.5   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  -61.5   20.0 2
assign (resid  58 and name    C) (resid  59 and name    N)
       (resid  59 and name   CA) (resid  59 and name    C)  1.0  -62.5   20.0 2
assign (resid  59 and name    C) (resid  60 and name    N)
       (resid  60 and name   CA) (resid  60 and name    C)  1.0  -62.5   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 -120.0   31.0 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   33.0 2
assign (resid  72 and name    C) (resid  73 and name    N)
       (resid  73 and name   CA) (resid  73 and name    C)  1.0 -120.0   31.0 2
assign (resid  74 and name    C) (resid  75 and name    N)
       (resid  75 and name   CA) (resid  75 and name    C)  1.0  -70.5   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  -69.0   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  -50.0   20.0 2
assign (resid  77 and name    C) (resid  78 and name    N)
       (resid  78 and name   CA) (resid  78 and name    C)  1.0  -54.5   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  -68.0   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  -61.5   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  -69.0   20.0 2
!
!  PSI DIHEDRAL RESTRAINTS
!
assign (resid   2 and name    N) (resid   2 and name   CA)
       (resid   2 and name    C) (resid   3 and name    N)  1.0  120.0  100.0 2
assign (resid   9 and name    N) (resid   9 and name   CA)
       (resid   9 and name    C) (resid  10 and name    N)  1.0  -30.0  110.0 2
assign (resid  10 and name    N) (resid  10 and name   CA)
       (resid  10 and name    C) (resid  11 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    C) (resid  12 and name    N)  1.0  -30.0  110.0 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  19 and name    N) (resid  19 and name   CA)
       (resid  19 and name    C) (resid  20 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  31 and name    N) (resid  31 and name   CA)
       (resid  31 and name    C) (resid  32 and name    N)  1.0  120.0  100.0 2
assign (resid  32 and name    N) (resid  32 and name   CA)
       (resid  32 and name    C) (resid  33 and name    N)  1.0  -30.0  110.0 2
assign (resid  35 and name    N) (resid  35 and name   CA)
       (resid  35 and name    C) (resid  36 and name    N)  1.0  120.0  100.0 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  38 and name    N) (resid  38 and name   CA)
       (resid  38 and name    C) (resid  39 and name    N)  1.0  -30.0  110.0 2
assign (resid  39 and name    N) (resid  39 and name   CA)
       (resid  39 and name    C) (resid  40 and name    N)  1.0  -30.0  110.0 2
assign (resid  43 and name    N) (resid  43 and name   CA)
       (resid  43 and name    C) (resid  44 and name    N)  1.0  -30.0  110.0 2
assign (resid  44 and name    N) (resid  44 and name   CA)
       (resid  44 and name    C) (resid  45 and name    N)  1.0  -30.0  110.0 2
assign (resid  45 and name    N) (resid  45 and name   CA)
       (resid  45 and name    C) (resid  46 and name    N)  1.0  -30.0  110.0 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  47 and name    N) (resid  47 and name   CA)
       (resid  47 and name    C) (resid  48 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  52 and name    N) (resid  52 and name   CA)
       (resid  52 and name    C) (resid  53 and name    N)  1.0  120.0  100.0 2
assign (resid  58 and name    N) (resid  58 and name   CA)
       (resid  58 and name    C) (resid  59 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  64 and name    N) (resid  64 and name   CA)
       (resid  64 and name    C) (resid  65 and name    N)  1.0  -30.0  110.0 2
assign (resid  65 and name    N) (resid  65 and name   CA)
       (resid  65 and name    C) (resid  66 and name    N)  1.0  120.0  100.0 2
assign (resid  66 and name    N) (resid  66 and name   CA)
       (resid  66 and name    C) (resid  67 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  78 and name    N) (resid  78 and name   CA)
       (resid  78 and name    C) (resid  79 and name    N)  1.0  -30.0  110.0 2
assign (resid  79 and name    N) (resid  79 and name   CA)
       (resid  79 and name    C) (resid  80 and name    N)  1.0  -30.0  110.0 2
assign (resid  80 and name    N) (resid  80 and name   CA)
       (resid  80 and name    C) (resid  81 and name    N)  1.0  -30.0  110.0 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
!
!  CHI_1 DIHEDRAL RESTRAINTS
!
assign (resid   5 and name    N) (resid   5 and name   CA)
       (resid   5 and name   CB) (resid   5 and name   CG)  1.0  -60.0   60.0 2
assign (resid   9 and name    N) (resid   9 and name   CA)
       (resid   9 and name   CB) (resid   9 and name  CG1)  1.0  180.0   60.0 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  15 and name    N) (resid  15 and name   CA)
       (resid  15 and name   CB) (resid  15 and name   CG)  1.0   60.0   60.0 2
assign (resid  18 and name    N) (resid  18 and name   CA)
       (resid  18 and name   CB) (resid  18 and name   CG)  1.0  -60.0   60.0 2
assign (resid  24 and name    N) (resid  24 and name   CA)
       (resid  24 and name   CB) (resid  24 and name   CG)  1.0  180.0   60.0 2
assign (resid  25 and name    N) (resid  25 and name   CA)
       (resid  25 and name   CB) (resid  25 and name   CG)  1.0  -60.0   60.0 2
assign (resid  26 and name    N) (resid  26 and name   CA)
       (resid  26 and name   CB) (resid  26 and name  CG1)  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  33 and name    N) (resid  33 and name   CA)
       (resid  33 and name   CB) (resid  33 and name   CG)  1.0   60.0   60.0 2
assign (resid  35 and name    N) (resid  35 and name   CA)
       (resid  35 and name   CB) (resid  35 and name   CG)  1.0  -60.0   60.0 2
assign (resid  44 and name    N) (resid  44 and name   CA)
       (resid  44 and name   CB) (resid  44 and name  CG1)  1.0  180.0   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  72 and name    N) (resid  72 and name   CA)
       (resid  72 and name   CB) (resid  72 and name  CG1)  1.0  180.0   60.0 2
assign (resid  74 and name    N) (resid  74 and name   CA)
       (resid  74 and name   CB) (resid  74 and name   CG)  1.0  180.0   60.0 2
assign (resid  77 and name    N) (resid  77 and name   CA)
       (resid  77 and name   CB) (resid  77 and name   CG)  1.0  180.0   60.0 2
assign (resid  78 and name    N) (resid  78 and name   CA)
       (resid  78 and name   CB) (resid  78 and name   CG)  1.0  -60.0   60.0 2
assign (resid  79 and name    N) (resid  79 and name   CA)
       (resid  79 and name   CB) (resid  79 and name  CG1)  1.0  180.0   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
assign (resid  82 and name    N) (resid  82 and name   CA)
       (resid  82 and name   CB) (resid  82 and name  CG1)  1.0   60.0   60.0 2
assign (resid  83 and name    N) (resid  83 and name   CA)
       (resid  83 and name   CB) (resid  83 and name   CG)  1.0  -60.0   60.0 2
!
! NOE RESTRAINTS
!
class intra
assign (resid   3 and name   HN) (resid   3 and name  HB*)  2.95  1.25  1.25
assign (resid   3 and name   HN) (resid   3 and name   HA)  2.89  1.19  1.19
assign (resid   4 and name   HN) (resid   4 and name HD1*)  3.80  2.10  2.10
assign (resid   4 and name   HN) (resid   4 and name   HA)  2.75  1.05  1.04
assign (resid   4 and name   HN) (resid   4 and name   HB)  2.71  1.01  1.02
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  HB1)  2.83  1.14  1.14
assign (resid   5 and name   HN) (resid   5 and name  HD*)  3.43  1.73  1.73
assign (resid   5 and name   HN) (resid   5 and name  HB2)  2.64  0.94  0.94
assign (resid   6 and name   HN) (resid   6 and name  HD*)  3.66  1.96  1.96
assign (resid   6 and name   HN) (resid   6 and name  HG*)  2.78  1.08  1.08
assign (resid   6 and name   HN) (resid   6 and name   HA)  2.71  1.01  1.00
assign (resid   6 and name   HN) (resid   6 and name  HB*)  2.82  1.12  1.12
assign (resid   7 and name   HN) (resid   7 and name   HA)  2.70  1.00  1.00
assign (resid   8 and name   HN) (resid   8 and name  HB*)  2.62  0.93  0.92
assign (resid   9 and name   HN) (resid   9 and name   HA)  2.75  1.05  1.06
assign (resid   9 and name   HN) (resid   9 and name   HB)  2.40  0.70  0.70
assign (resid  10 and name   HN) (resid  10 and name  HG*)  2.97  1.27  1.27
assign (resid  10 and name   HN) (resid  10 and name   HA)  2.69  0.99  0.99
assign (resid  10 and name   HN) (resid  10 and name  HB*)  2.76  1.06  1.06
assign (resid  11 and name   HN) (resid  11 and name  HB2)  2.46  0.76  0.76
assign (resid  11 and name   HN) (resid  11 and name   HA)  2.62  0.92  0.92
assign (resid  11 and name   HN) (resid  11 and name  HG*)  2.91  1.21  1.21
assign (resid  12 and name   HN) (resid  12 and name   HG)  2.38  0.68  0.67
assign (resid  12 and name   HN) (resid  12 and name  HD*)  2.91  1.21  1.21
assign (resid  12 and name   HN) (resid  12 and name  HB2)  2.42  0.72  0.73
assign (resid  12 and name   HN) (resid  12 and name   HA)  2.70  1.00  1.00
assign (resid  12 and name   HN) (resid  12 and name  HB1)  2.71  1.01  1.02
assign (resid  13 and name   HN) (resid  13 and name   HB)  3.60  1.90  1.90
assign (resid  14 and name   HN) (resid  14 and name  HB*)  2.83  1.13  1.13
assign (resid  14 and name   HN) (resid  14 and name   HA)  2.73  1.03  1.03
assign (resid  14 and name   HN) (resid  14 and name  HG*)  3.35  1.66  1.65
assign (resid  15 and name   HN) (resid  15 and name   HA)  2.71  1.01  1.02
assign (resid  15 and name   HN) (resid  15 and name  HB2)  2.77  1.07  1.08
assign (resid  15 and name   HN) (resid  15 and name  HG*)  3.15  1.45  1.44
assign (resid  16 and name   HN) (resid  16 and name  HB*)  3.29  1.59  1.58
assign (resid  16 and name   HN) (resid  16 and name   HA)  2.77  1.07  1.07
assign (resid  17 and name   HN) (resid  17 and name  HG*)  2.97  1.27  1.27
assign (resid  17 and name   HN) (resid  17 and name  HD*)  2.64  0.94  0.94
assign (resid  17 and name   HN) (resid  17 and name  HB*)  2.50  0.80  0.81
assign (resid  18 and name   HN) (resid  18 and name HD22)  3.62  1.92  1.92
assign (resid  18 and name   HN) (resid  18 and name  HB2)  2.56  0.86  0.86
assign (resid  18 and name   HN) (resid  18 and name   HA)  2.69  0.99  0.98
assign (resid  18 and name   HN) (resid  18 and name  HB1)  2.71  1.01  1.00
assign (resid  19 and name   HN) (resid  19 and name  HB*)  2.77  1.07  1.07
assign (resid  19 and name   HN) (resid  19 and name  HG*)  3.02  1.32  1.31
assign (resid  19 and name   HN) (resid  19 and name   HA)  2.62  0.92  0.92
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assign (resid  20 and name   HN) (resid  20 and name  HD*)  3.48  1.78  1.77
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assign (resid  21 and name   HN) (resid  21 and name   HA)  2.69  0.99  0.98
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assign (resid  23 and name   HN) (resid  23 and name  HB*)  2.56  0.86  0.86
assign (resid  24 and name   HN) (resid  24 and name  HB1)  2.64  0.94  0.94
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assign (resid  24 and name   HN) (resid  24 and name   HA)  2.76  1.06  1.06
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assign (resid  25 and name   HN) (resid  25 and name   HA)  2.67  0.97  0.98
assign (resid  25 and name   HN) (resid  25 and name  HB2)  2.56  0.86  0.85
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assign (resid  26 and name   HN) (resid  26 and name HG1*)  2.67  0.97  0.97
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assign (resid  26 and name   HN) (resid  26 and name   HB)  2.43  0.73  0.73
assign (resid  26 and name   HN) (resid  26 and name   HA)  2.60  0.90  0.90
assign (resid  26 and name   HN) (resid  26 and name HD1*)  3.21  1.51  1.50
assign (resid  27 and name   HN) (resid  27 and name   HA)  2.77  1.07  1.07
assign (resid  27 and name   HN) (resid  27 and name  HE*)  3.40  1.70  1.69
assign (resid  27 and name   HN) (resid  27 and name  HB2)  2.69  0.99  0.98
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assign (resid  28 and name   HN) (resid  28 and name   HA)  2.81  1.11  1.10
assign (resid  28 and name   HN) (resid  28 and name   HB)  2.58  0.88  0.88
assign (resid  28 and name   HN) (resid  28 and name HG2*)  2.62  0.92  0.92
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assign (resid  29 and name   HN) (resid  29 and name   HA)  2.62  0.92  0.92
assign (resid  30 and name   HN) (resid  30 and name  HA*)  2.67  0.97  0.98
assign (resid  31 and name   HN) (resid  31 and name  HB*)  2.54  0.84  0.83
assign (resid  31 and name   HN) (resid  31 and name   HA)  2.58  0.88  0.88
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assign (resid  32 and name   HN) (resid  32 and name  HB*)  2.62  0.93  0.92
assign (resid  33 and name   HN) (resid  33 and name  HB2)  3.21  1.51  1.51
assign (resid  33 and name   HN) (resid  33 and name   HA)  2.61  0.91  0.91
assign (resid  33 and name   HN) (resid  33 and name  HB1)  2.98  1.28  1.28
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assign (resid  35 and name   HN) (resid  35 and name  HB2)  2.68  0.98  0.98
assign (resid  35 and name   HN) (resid  35 and name   HA)  2.63  0.93  0.94
assign (resid  35 and name   HN) (resid  35 and name  HB1)  2.98  1.28  1.28
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assign (resid  36 and name   HN) (resid  36 and name HG1*)  2.73  1.03  1.04
assign (resid  36 and name   HN) (resid  36 and name   HA)  2.63  0.93  0.93
assign (resid  36 and name   HN) (resid  36 and name HG2*)  3.60  1.90  1.90
assign (resid  37 and name   HN) (resid  37 and name   HA)  2.65  0.95  0.94
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assign (resid  41 and name   HN) (resid  41 and name   HA)  2.65  0.95  0.96
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assign (resid  43 and name   HN) (resid  43 and name  HG*)  2.73  1.03  1.04
assign (resid  43 and name   HN) (resid  43 and name   HA)  2.75  1.05  1.06
assign (resid  43 and name   HN) (resid  43 and name  HD*)  3.63  1.93  1.93
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assign (resid  44 and name   HN) (resid  44 and name   HA)  2.66  0.96  0.96
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assign (resid  45 and name   HN) (resid  45 and name   HA)  2.64  0.94  0.94
assign (resid  45 and name   HN) (resid  45 and name  HG*)  2.54  0.84  0.84
assign (resid  46 and name   HN) (resid  46 and name   HA)  2.62  0.92  0.92
assign (resid  46 and name   HN) (resid  46 and name  HG*)  2.83  1.13  1.12
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assign (resid  47 and name   HN) (resid  47 and name   HA)  2.77  1.07  1.08
assign (resid  47 and name   HN) (resid  47 and name  HG*)  2.69  0.99  0.99
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assign (resid  48 and name   HN) (resid  48 and name   HA)  2.73  1.03  1.02
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assign (resid  49 and name   HN) (resid  49 and name  HA*)  2.40  0.70  0.70
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assign (resid  50 and name   HN) (resid  50 and name  HB2)  2.58  0.88  0.88
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assign (resid  53 and name   HN) (resid  53 and name HG2*)  2.77  1.07  1.07
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assign (resid  56 and name   HN) (resid  56 and name  HB1)  2.60  0.91  0.90
assign (resid  57 and name   HN) (resid  57 and name  HD*)  3.85  2.15  2.15
assign (resid  57 and name   HN) (resid  57 and name  HB*)  3.17  1.47  1.46
assign (resid  58 and name   HN) (resid  58 and name  HB*)  2.88  1.18  1.17
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assign (resid  58 and name   HN) (resid  58 and name   HA)  2.80  1.10  1.10
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assign (resid  61 and name   HN) (resid  61 and name   HB)  3.35  1.65  1.65
assign (resid  61 and name   HN) (resid  61 and name HD1*)  3.85  2.15  2.15
assign (resid  61 and name   HN) (resid  61 and name HG1*)  3.56  1.86  1.86
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assign (resid  62 and name   HN) (resid  62 and name   HA)  2.65  0.95  0.96
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assign (resid  64 and name   HN) (resid  64 and name HG1*)  2.80  1.10  1.10
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assign (resid  65 and name   HN) (resid  65 and name  HB*)  2.52  0.82  0.83
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assign (resid  66 and name   HN) (resid  66 and name   HA)  2.87  1.17  1.17
assign (resid  67 and name   HN) (resid  67 and name  HB*)  2.81  1.11  1.11
assign (resid  67 and name   HN) (resid  67 and name   HA)  2.62  0.93  0.92
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assign (resid  71 and name   HN) (resid  71 and name   HB)  3.08  1.38  1.38
assign (resid  71 and name   HN) (resid  71 and name HG2*)  3.48  1.78  1.77
assign (resid  72 and name   HN) (resid  72 and name   HA)  2.65  0.95  0.96
assign (resid  72 and name   HN) (resid  72 and name   HB)  2.48  0.78  0.79
assign (resid  72 and name   HN) (resid  72 and name HG2*)  2.92  1.22  1.22
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assign (resid  73 and name   HN) (resid  73 and name  HB*)  3.80  2.10  2.10
assign (resid  74 and name   HN) (resid  74 and name  HB1)  2.56  0.86  0.86
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assign (resid  74 and name   HN) (resid  74 and name  HD*)  3.85  2.15  2.15
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assign (resid  75 and name   HN) (resid  75 and name   HA)  2.73  1.03  1.03
assign (resid  76 and name   HN) (resid  76 and name  HB*)  3.65  1.95  1.94
assign (resid  76 and name   HN) (resid  76 and name  HG*)  2.54  0.84  0.85
assign (resid  77 and name   HN) (resid  77 and name  HB2)  2.50  0.80  0.81
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assign (resid  77 and name   HN) (resid  77 and name   HA)  2.71  1.01  1.00
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assign (resid  78 and name   HN) (resid  78 and name  HB2)  2.64  0.94  0.94
assign (resid  79 and name   HN) (resid  79 and name   HA)  2.75  1.05  1.04
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assign (resid  79 and name   HN) (resid  79 and name HG1*)  3.62  1.92  1.92
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assign (resid  80 and name   HN) (resid  80 and name   HA)  2.69  0.99  0.99
assign (resid  81 and name   HN) (resid  81 and name  HB1)  2.90  1.20  1.20
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assign (resid  81 and name   HN) (resid  81 and name   HA)  2.65  0.95  0.94
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assign (resid  82 and name   HN) (resid  82 and name   HB)  2.50  0.80  0.80
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assign (resid  83 and name   HN) (resid  83 and name  HB1)  2.81  1.11  1.12
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assign (resid  85 and name   HN) (resid  85 and name  HG*)  2.75  1.05  1.05
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assign (resid  89 and name   HN) (resid  89 and name   HA)  2.77  1.07  1.07
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assign (resid  22 and name   HA) (resid  22 and name   HN)  2.48  0.78  0.78
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assign (resid  35 and name   HA) (resid  35 and name  HB2)  2.77  1.07  1.08
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assign (resid  25 and name   HA) (resid  25 and name  HB2)  2.82  1.12  1.12
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assign (resid   4 and name HG1*) (resid   4 and name   HN)  2.69  0.99  0.99
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assign (resid  61 and name HD1*) (resid  61 and name   HA)  3.85  2.15  2.15
assign (resid  61 and name HG2*) (resid  61 and name   HA)  2.69  0.99  0.99
assign (resid  17 and name   HA) (resid  17 and name  HB*)  2.96  1.26  1.26
assign (resid  17 and name   HA) (resid  17 and name  HD*)  3.45  1.75  1.75
assign (resid  17 and name   HA) (resid  17 and name  HG*)  3.17  1.47  1.46
assign (resid  17 and name  HE*) (resid  17 and name  HB*)  3.85  2.15  2.15
assign (resid  17 and name  HE*) (resid  17 and name  HG*)  3.85  2.15  2.15
assign (resid  21 and name   HA) (resid  21 and name  HB*)  2.72  1.02  1.02
assign (resid  21 and name   HA) (resid  21 and name  HD*)  3.23  1.53  1.52
assign (resid  21 and name  HB*) (resid  21 and name  HG*)  2.94  1.24  1.24
assign (resid  21 and name  HB*) (resid  21 and name  HD*)  2.61  0.91  0.92
assign (resid  21 and name  HD*) (resid  21 and name  HE*)  3.30  1.60  1.60
assign (resid  21 and name  HD*) (resid  21 and name  HG*)  2.98  1.28  1.28
assign (resid  21 and name  HE*) (resid  21 and name  HG*)  3.76  2.06  2.06
assign (resid  21 and name  HG*) (resid  21 and name   HA)  3.21  1.51  1.50
assign (resid  39 and name   HA) (resid  39 and name  HB*)  2.95  1.25  1.25
assign (resid  39 and name   HA) (resid  39 and name  HD*)  3.85  2.15  2.15
assign (resid  39 and name   HA) (resid  39 and name  HG*)  3.33  1.63  1.63
assign (resid  43 and name   HA) (resid  43 and name  HG*)  2.94  1.24  1.24
assign (resid  43 and name  HB*) (resid  43 and name  HG*)  2.62  0.93  0.92
assign (resid  43 and name  HD*) (resid  43 and name   HA)  3.85  2.15  2.15
assign (resid  43 and name  HD*) (resid  43 and name  HE*)  3.85  2.15  2.15
assign (resid  43 and name  HD*) (resid  43 and name  HG*)  2.56  0.86  0.86
assign (resid  43 and name  HG*) (resid  43 and name  HE*)  3.02  1.32  1.31
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assign (resid   6 and name   HA) (resid   6 and name  HG*)  2.77  1.07  1.08
assign (resid   6 and name  HB*) (resid   6 and name  HE*)  3.85  2.15  2.15
assign (resid   6 and name  HB*) (resid   6 and name  HG*)  2.79  1.09  1.10
assign (resid   6 and name  HD*) (resid   6 and name   HA)  3.85  2.15  2.15
assign (resid   6 and name  HG*) (resid   6 and name  HD*)  2.30  0.60  0.60
assign (resid   6 and name  HG*) (resid   6 and name  HE*)  3.06  1.36  1.36
assign (resid  86 and name   HA) (resid  86 and name  HB*)  2.71  1.01  1.02
assign (resid  86 and name   HA) (resid  86 and name  HD*)  3.41  1.71  1.71
assign (resid  86 and name   HA) (resid  86 and name  HG*)  3.33  1.63  1.62
assign (resid  86 and name   HA) (resid  86 and name   HN)  2.70  1.00  1.00
assign (resid  86 and name  HB*) (resid  86 and name  HG*)  2.90  1.20  1.19
assign (resid  86 and name  HB*) (resid  86 and name   HN)  2.79  1.09  1.08
assign (resid  86 and name  HG*) (resid  86 and name   HN)  3.80  2.10  2.10
assign (resid  12 and name   HA) (resid  12 and name  HB1)  2.67  0.97  0.96
assign (resid  12 and name   HA) (resid  12 and name  HB2)  2.87  1.17  1.17
assign (resid  12 and name   HA) (resid  12 and name  HD*)  2.65  0.95  0.94
assign (resid  12 and name   HA) (resid  12 and name   HG)  3.09  1.39  1.39
assign (resid  12 and name  HB1) (resid  12 and name  HB2)  2.27  0.57  0.56
assign (resid  12 and name  HB1) (resid  12 and name  HD*)  2.86  1.16  1.16
assign (resid  12 and name  HB1) (resid  12 and name   HG)  2.83  1.13  1.13
assign (resid  12 and name  HB2) (resid  12 and name   HG)  2.73  1.03  1.02
assign (resid  12 and name HD2*) (resid  12 and name   HA)  2.79  1.09  1.09
assign (resid  12 and name HD2*) (resid  12 and name  HB1)  3.25  1.55  1.55
assign (resid  12 and name HD2*) (resid  12 and name  HB2)  3.52  1.82  1.82
assign (resid  12 and name HD2*) (resid  12 and name   HN)  3.35  1.65  1.65
assign (resid  12 and name   HG) (resid  12 and name  HD*)  2.76  1.06  1.06
assign (resid  29 and name   HA) (resid  29 and name  HB*)  2.67  0.97  0.97
assign (resid  29 and name   HA) (resid  29 and name HD2*)  3.08  1.38  1.38
assign (resid  29 and name  HB*) (resid  29 and name  HD*)  2.89  1.19  1.19
assign (resid  29 and name HD1*) (resid  29 and name   HA)  3.77  2.08  2.07
assign (resid  29 and name   HG) (resid  29 and name   HA)  3.64  1.94  1.94
assign (resid  29 and name   HG) (resid  29 and name   HN)  3.31  1.61  1.61
assign (resid  41 and name   HA) (resid  41 and name  HB*)  3.27  1.57  1.57
assign (resid  41 and name   HA) (resid  41 and name HD1*)  3.31  1.61  1.60
assign (resid  41 and name   HA) (resid  41 and name   HG)  3.27  1.57  1.57
assign (resid  48 and name   HA) (resid  48 and name  HB*)  2.69  0.99  0.98
assign (resid  48 and name   HA) (resid  48 and name HD2*)  3.00  1.30  1.30
assign (resid  48 and name   HA) (resid  48 and name   HG)  2.71  1.01  1.02
assign (resid  48 and name  HB*) (resid  48 and name HD1*)  3.18  1.48  1.48
assign (resid  48 and name  HB*) (resid  48 and name HD2*)  3.44  1.74  1.73
assign (resid  48 and name  HB*) (resid  48 and name   HN)  2.69  0.99  0.98
assign (resid  48 and name HD1*) (resid  48 and name   HA)  3.83  2.13  2.13
assign (resid  48 and name   HG) (resid  48 and name HD2*)  2.48  0.78  0.79
assign (resid  48 and name   HG) (resid  48 and name   HN)  2.63  0.93  0.93
assign (resid  57 and name   HA) (resid  57 and name  HD*)  2.81  1.11  1.12
assign (resid  57 and name   HA) (resid  57 and name   HN)  3.47  1.77  1.77
assign (resid  78 and name   HA) (resid  78 and name  HB2)  2.79  1.09  1.09
assign (resid  78 and name   HA) (resid  78 and name HD1*)  3.55  1.85  1.85
assign (resid  78 and name   HA) (resid  78 and name HD2*)  2.91  1.21  1.21
assign (resid  78 and name  HB1) (resid  78 and name   HA)  2.67  0.97  0.98
assign (resid  78 and name  HB1) (resid  78 and name  HB2)  2.33  0.63  0.62
assign (resid  78 and name  HB1) (resid  78 and name HD1*)  3.01  1.31  1.31
assign (resid  78 and name  HB1) (resid  78 and name HD2*)  3.00  1.30  1.29
assign (resid  78 and name  HB1) (resid  78 and name   HN)  2.81  1.11  1.11
assign (resid  78 and name HD1*) (resid  78 and name  HB2)  3.21  1.51  1.51
assign (resid  78 and name HD1*) (resid  78 and name   HN)  3.85  2.15  2.15
assign (resid  78 and name HD2*) (resid  78 and name  HB2)  3.85  2.15  2.15
assign (resid  78 and name   HG) (resid  78 and name   HA)  3.20  1.50  1.50
assign (resid  78 and name   HG) (resid  78 and name  HB2)  2.87  1.17  1.17
assign (resid  78 and name   HG) (resid  78 and name HD1*)  2.42  0.72  0.72
assign (resid  78 and name   HG) (resid  78 and name   HN)  3.02  1.32  1.31
assign (resid   1 and name  HB*) (resid   1 and name   HA)  3.17  1.47  1.47
assign (resid  45 and name   HA) (resid  45 and name  HB*)  2.72  1.02  1.02
assign (resid  45 and name  HE*) (resid  45 and name  HG*)  3.66  1.96  1.96
assign (resid  45 and name  HG*) (resid  45 and name   HA)  2.75  1.05  1.04
assign (resid  45 and name  HG*) (resid  45 and name  HB*)  2.75  1.05  1.06
assign (resid  47 and name   HA) (resid  47 and name  HB*)  3.22  1.52  1.52
assign (resid  47 and name   HA) (resid  47 and name  HG*)  2.81  1.11  1.11
assign (resid  47 and name  HB*) (resid  47 and name  HG*)  2.53  0.83  0.83
assign (resid  47 and name  HE*) (resid  47 and name   HA)  3.85  2.15  2.15
assign (resid  47 and name  HG*) (resid  47 and name  HE*)  3.21  1.51  1.50
assign (resid  60 and name  HE*) (resid  60 and name   HA)  3.27  1.57  1.57
assign (resid  60 and name  HE*) (resid  60 and name  HG*)  3.39  1.69  1.69
assign (resid  60 and name  HG*) (resid  60 and name   HA)  3.28  1.58  1.58
assign (resid  80 and name   HA) (resid  80 and name  HB*)  2.73  1.03  1.02
assign (resid  80 and name   HA) (resid  80 and name  HG*)  2.94  1.24  1.23
assign (resid  80 and name  HE*) (resid  80 and name   HN)  3.85  2.15  2.15
assign (resid  80 and name  HG*) (resid  80 and name   HN)  3.38  1.68  1.67
assign (resid  81 and name   HA) (resid  81 and name  HB1)  2.68  0.98  0.98
assign (resid  81 and name   HA) (resid  81 and name  HG*)  3.10  1.40  1.40
assign (resid  81 and name  HB1) (resid  81 and name  HG*)  2.69  0.99  0.98
assign (resid  81 and name  HB2) (resid  81 and name   HA)  3.17  1.47  1.47
assign (resid  81 and name  HB2) (resid  81 and name  HB1)  2.63  0.93  0.94
assign (resid  81 and name  HB2) (resid  81 and name  HG*)  2.77  1.07  1.08
assign (resid  81 and name  HE*) (resid  81 and name   HA)  3.47  1.77  1.77
assign (resid  81 and name  HE*) (resid  81 and name  HB1)  3.65  1.95  1.95
assign (resid  81 and name  HE*) (resid  81 and name  HG*)  3.85  2.15  2.15
assign (resid  81 and name  HE*) (resid  81 and name   HN)  3.73  2.04  2.03
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assign (resid  85 and name  HB*) (resid  85 and name  HG*)  3.44  1.74  1.74
assign (resid  85 and name  HE*) (resid  85 and name   HA)  3.85  2.15  2.15
assign (resid  85 and name  HE*) (resid  85 and name  HG*)  3.82  2.12  2.12
assign (resid  18 and name   HA) (resid  18 and name  HB1)  2.65  0.95  0.96
assign (resid  18 and name   HA) (resid  18 and name  HB2)  2.72  1.02  1.02
assign (resid  18 and name  HB1) (resid  18 and name  HB2)  2.18  0.48  0.48
assign (resid  18 and name  HB1) (resid  18 and name HD21)  3.17  1.47  1.47
assign (resid  18 and name  HB1) (resid  18 and name HD22)  3.04  1.34  1.34
assign (resid  18 and name  HB2) (resid  18 and name HD21)  3.15  1.45  1.44
assign (resid  18 and name  HB2) (resid  18 and name HD22)  2.91  1.21  1.21
assign (resid  51 and name   HA) (resid  51 and name  HB*)  2.69  0.99  1.00
assign (resid  51 and name  HB*) (resid  51 and name HD21)  3.43  1.73  1.73
assign (resid  51 and name  HB*) (resid  51 and name HD22)  3.10  1.40  1.40
assign (resid  52 and name  HB*) (resid  52 and name   HA)  2.75  1.05  1.06
assign (resid  52 and name  HB*) (resid  52 and name  HD*)  3.08  1.38  1.38
assign (resid  52 and name  HD*) (resid  52 and name  HG*)  2.93  1.23  1.23
assign (resid  52 and name  HG*) (resid  52 and name   HA)  3.17  1.47  1.47
assign (resid  52 and name  HG*) (resid  52 and name  HB*)  2.71  1.01  1.02
assign (resid  54 and name   HA) (resid  54 and name  HB*)  2.79  1.09  1.09
assign (resid  54 and name   HA) (resid  54 and name  HD*)  3.82  2.12  2.12
assign (resid  54 and name   HA) (resid  54 and name  HG*)  3.14  1.44  1.44
assign (resid  54 and name  HB*) (resid  54 and name  HD*)  3.58  1.88  1.88
assign (resid  54 and name  HB*) (resid  54 and name  HG*)  2.71  1.01  1.02
assign (resid  54 and name  HD*) (resid  54 and name  HG*)  3.04  1.34  1.34
assign (resid  11 and name   HA) (resid  11 and name  HB2)  2.79  1.09  1.09
assign (resid  11 and name   HA) (resid  11 and name  HB1)  2.66  0.96  0.96
assign (resid  11 and name   HA) (resid  11 and name  HG*)  3.09  1.39  1.39
assign (resid  11 and name  HB1) (resid  11 and name  HB2)  2.23  0.53  0.54
assign (resid  11 and name  HB1) (resid  11 and name  HG*)  2.58  0.88  0.88
assign (resid  11 and name  HG*) (resid  11 and name  HB2)  2.98  1.28  1.28
assign (resid  11 and name  HG*) (resid  11 and name HE22)  3.85  2.15  2.15
assign (resid  16 and name   HA) (resid  16 and name  HB*)  3.33  1.63  1.62
assign (resid  16 and name  HG*) (resid  16 and name   HN)  3.40  1.70  1.69
assign (resid  16 and name  HG*) (resid  16 and name   HA)  3.29  1.59  1.59
assign (resid  16 and name  HG*) (resid  16 and name  HB*)  3.65  1.95  1.94
assign (resid  16 and name  HG*) (resid  16 and name HE21)  3.58  1.89  1.88
assign (resid  50 and name   HA) (resid  50 and name  HB2)  2.81  1.11  1.10
assign (resid  50 and name  HB1) (resid  50 and name   HA)  2.69  0.99  1.00
assign (resid  50 and name  HB1) (resid  50 and name  HB2)  2.29  0.59  0.58
assign (resid  50 and name  HB1) (resid  50 and name   HN)  2.81  1.11  1.10
assign (resid  50 and name  HG*) (resid  50 and name   HA)  2.99  1.29  1.29
assign (resid  50 and name  HG*) (resid  50 and name  HB2)  2.65  0.95  0.96
assign (resid  50 and name  HG*) (resid  50 and name   HN)  3.00  1.30  1.30
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assign (resid  58 and name   HA) (resid  58 and name  HG*)  3.24  1.54  1.54
assign (resid  58 and name  HG*) (resid  58 and name  HB*)  2.77  1.07  1.06
assign (resid  58 and name  HG*) (resid  58 and name HE21)  3.25  1.55  1.55
assign (resid  58 and name  HG*) (resid  58 and name HE22)  3.00  1.30  1.29
assign (resid  46 and name   HA) (resid  46 and name  HG*)  2.79  1.09  1.08
assign (resid  46 and name  HB*) (resid  46 and name   HA)  3.47  1.77  1.77
assign (resid  46 and name  HB*) (resid  46 and name  HD*)  3.85  2.15  2.15
assign (resid  46 and name  HB*) (resid  46 and name   HN)  3.43  1.73  1.73
assign (resid  46 and name  HD*) (resid  46 and name  HG*)  2.77  1.07  1.06
assign (resid  46 and name  HD*) (resid  46 and name   HA)  3.35  1.65  1.65
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assign (resid  83 and name   HA) (resid  83 and name  HB1)  2.70  1.00  1.00
assign (resid  83 and name   HA) (resid  83 and name  HG*)  2.54  0.84  0.84
assign (resid  83 and name   HA) (resid  83 and name   HN)  2.69  0.99  1.00
assign (resid  83 and name  HB2) (resid  83 and name   HN)  2.71  1.01  1.02
assign (resid  83 and name  HD*) (resid  83 and name   HA)  3.85  2.15  2.15
assign (resid  83 and name  HD*) (resid  83 and name  HB2)  3.79  2.09  2.09
assign (resid  83 and name  HD*) (resid  83 and name  HB1)  3.85  2.15  2.15
assign (resid  83 and name  HD*) (resid  83 and name  HG*)  3.12  1.42  1.42
assign (resid  83 and name  HG*) (resid  83 and name   HN)  2.46  0.76  0.76
assign (resid  89 and name   HA) (resid  89 and name  HB*)  2.56  0.86  0.86
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*)  3.07  1.37  1.37
assign (resid  13 and name   HA) (resid  13 and name   HN)  3.01  1.31  1.31
assign (resid  13 and name   HB) (resid  13 and name HG2*)  3.02  1.32  1.31
assign (resid  13 and name HG2*) (resid  13 and name   HN)  2.95  1.25  1.25
assign (resid  38 and name   HA) (resid  38 and name   HB)  2.67  0.97  0.97
assign (resid  38 and name   HA) (resid  38 and name HG2*)  2.73  1.03  1.03
assign (resid  38 and name   HB) (resid  38 and name HG2*)  2.69  0.99  0.98
assign (resid  53 and name   HA) (resid  53 and name HG2*)  3.04  1.34  1.34
assign (resid  53 and name   HB) (resid  53 and name   HA)  2.67  0.97  0.98
assign (resid  53 and name   HB) (resid  53 and name HG2*)  3.06  1.36  1.36
assign (resid  71 and name   HA) (resid  71 and name   HB)  2.67  0.97  0.97
assign (resid  71 and name   HB) (resid  71 and name HG2*)  2.63  0.93  0.94
assign (resid  71 and name HG2*) (resid  71 and name   HA)  2.64  0.94  0.94
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assign (resid  28 and name   HA) (resid  28 and name HG1*)  3.16  1.46  1.46
assign (resid  28 and name   HA) (resid  28 and name HG2*)  3.31  1.61  1.60
assign (resid  28 and name   HB) (resid  28 and name HG1*)  2.50  0.80  0.79
assign (resid  28 and name   HB) (resid  28 and name HG2*)  2.46  0.76  0.77
assign (resid  28 and name HG1*) (resid  28 and name HG2*)  2.71  1.01  1.00
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assign (resid  44 and name   HA) (resid  44 and name  HG*)  2.56  0.86  0.87
assign (resid  44 and name   HB) (resid  44 and name  HG*)  2.44  0.74  0.74
assign (resid  44 and name   HB) (resid  44 and name   HN)  2.40  0.70  0.71
assign (resid  44 and name HG1*) (resid  44 and name   HA)  2.68  0.98  0.98
assign (resid  44 and name HG1*) (resid  44 and name   HB)  2.48  0.78  0.77
assign (resid  44 and name HG1*) (resid  44 and name   HN)  3.17  1.47  1.46
assign (resid  44 and name HG2*) (resid  44 and name   HA)  2.75  1.05  1.06
assign (resid  44 and name HG2*) (resid  44 and name   HB)  2.52  0.82  0.83
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assign (resid  64 and name   HB) (resid  64 and name HG1*)  2.44  0.74  0.73
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assign (resid  72 and name   HA) (resid  72 and name HG1*)  2.76  1.06  1.06
assign (resid  72 and name   HB) (resid  72 and name HG2*)  2.50  0.80  0.81
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assign (resid  72 and name HG2*) (resid  72 and name HG1*)  3.58  1.88  1.88
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assign (resid  79 and name   HB) (resid  79 and name HG1*)  2.48  0.78  0.79
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assign (resid  82 and name   HA) (resid  82 and name HG2*)  3.16  1.46  1.46
assign (resid  82 and name   HB) (resid  82 and name   HA)  2.67  0.97  0.97
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assign (resid  82 and name HG1*) (resid  82 and name   HB)  2.44  0.74  0.74
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assign (resid   9 and name   HB) (resid   9 and name HG1*)  2.52  0.82  0.83
assign (resid   9 and name HG1*) (resid   9 and name   HA)  2.58  0.88  0.88
assign (resid   9 and name HG1*) (resid   9 and name   HN)  3.14  1.44  1.44
assign (resid   9 and name HG2*) (resid   9 and name   HA)  3.27  1.57  1.56
assign (resid   9 and name HG2*) (resid   9 and name   HN)  3.16  1.46  1.46
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assign (resid   5 and name   HA) (resid   5 and name  HB1)  2.67  0.97  0.96
assign (resid   5 and name   HA) (resid   5 and name   HN)  2.87  1.17  1.17
assign (resid   5 and name  HB2) (resid   5 and name  HB1)  2.23  0.53  0.52
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assign (resid  20 and name   HA) (resid  20 and name  HE*)  3.85  2.15  2.15
assign (resid  20 and name  HB*) (resid  20 and name  HD*)  3.85  2.15  2.15
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assign (resid  24 and name  HB2) (resid  24 and name  HD*)  3.75  2.05  2.05
assign (resid  24 and name  HB1) (resid  24 and name  HD*)  3.82  2.12  2.12
assign (resid  24 and name  HD*) (resid  24 and name  HE*)  3.70  2.00  2.00
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assign (resid  27 and name  HB2) (resid  27 and name  HD*)  3.73  2.04  2.03
assign (resid  27 and name  HB1) (resid  27 and name  HD*)  3.85  2.15  2.15
assign (resid  27 and name  HD*) (resid  27 and name  HE*)  3.14  1.44  1.44
assign (resid  74 and name   HA) (resid  74 and name  HD*)  3.50  1.80  1.80
assign (resid  74 and name  HB2) (resid  74 and name  HD*)  3.55  1.85  1.85
assign (resid  74 and name  HB1) (resid  74 and name  HD*)  3.74  2.04  2.04
assign (resid  74 and name  HD*) (resid  74 and name  HE*)  3.85  2.15  2.15
assign (resid  77 and name  HB2) (resid  77 and name  HD*)  3.77  2.07  2.06
assign (resid  77 and name  HB1) (resid  77 and name  HD*)  3.85  2.15  2.15
assign (resid  77 and name  HD*) (resid  77 and name   HA)  3.85  2.15  2.15
assign (resid  77 and name  HD*) (resid  77 and name  HE*)  3.47  1.77  1.77
assign (resid   5 and name   HA) (resid   5 and name  HD*)  3.08  1.38  1.38
assign (resid   5 and name   HA) (resid   5 and name  HE*)  3.85  2.15  2.15
assign (resid   5 and name  HB2) (resid   5 and name  HD*)  3.33  1.63  1.63
assign (resid   5 and name  HB2) (resid   5 and name  HE*)  3.85  2.15  2.15
assign (resid   5 and name  HB1) (resid   5 and name  HD*)  3.54  1.84  1.84
assign (resid   5 and name  HD*) (resid   5 and name  HE*)  2.82  1.12  1.12
assign (resid  11 and name HE21) (resid  11 and name  HG*)  3.85  2.15  2.15
assign (resid  11 and name HE22) (resid  11 and name HE21)  2.11  0.41  0.42
assign (resid  16 and name HE22) (resid  16 and name HE21)  2.13  0.43  0.43
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   HN)  3.85  2.15  2.15
assign (resid  50 and name HE21) (resid  50 and name  HG*)  3.23  1.53  1.53
assign (resid  50 and name HE22) (resid  50 and name HE21)  2.12  0.42  0.42
assign (resid  50 and name HE22) (resid  50 and name  HG*)  2.85  1.16  1.15
assign (resid  50 and name HE22) (resid  50 and name   HA)  3.62  1.92  1.92
assign (resid  51 and name HD21) (resid  51 and name HD22)  2.12  0.42  0.42
assign (resid  58 and name HE21) (resid  58 and name HE22)  2.12  0.42  0.42
assign (resid  58 and name HE22) (resid  58 and name   HA)  3.48  1.78  1.78
assign (resid  58 and name HE21) (resid  58 and name   HA)  3.73  2.03  2.02
class sequ
assign (resid   3 and name   HN) (resid   2 and name   HA)  2.31  0.61  0.61
assign (resid   3 and name   HN) (resid   4 and name   HN)  2.82  1.12  1.12
assign (resid   4 and name   HN) (resid   3 and name  HB*)  2.86  1.16  1.16
assign (resid   5 and name   HN) (resid   4 and name HG1*)  3.06  1.36  1.35
assign (resid   5 and name   HN) (resid   4 and name   HN)  2.75  1.05  1.04
assign (resid   5 and name   HN) (resid   6 and name  HB*)  3.70  2.00  2.00
assign (resid   5 and name   HN) (resid   6 and name   HN)  2.53  0.83  0.83
assign (resid   5 and name   HN) (resid   4 and name   HA)  3.10  1.41  1.40
assign (resid   5 and name   HN) (resid   4 and name HG2*)  3.55  1.85  1.85
assign (resid   5 and name   HN) (resid   4 and name   HB)  3.17  1.47  1.46
assign (resid   5 and name   HN) (resid   6 and name   HA)  3.81  2.12  2.11
assign (resid   6 and name   HN) (resid   5 and name  HD*)  3.85  2.15  2.15
assign (resid   6 and name   HN) (resid   5 and name  HB1)  3.10  1.40  1.40
assign (resid   6 and name   HN) (resid   5 and name  HB2)  2.87  1.17  1.17
assign (resid   7 and name   HN) (resid   8 and name   HN)  2.62  0.92  0.92
assign (resid   7 and name   HN) (resid   6 and name  HB*)  3.04  1.34  1.34
assign (resid   7 and name   HN) (resid   6 and name   HA)  3.00  1.30  1.30
assign (resid   8 and name   HN) (resid   9 and name   HN)  2.58  0.88  0.88
assign (resid   8 and name   HN) (resid   7 and name  HB*)  2.83  1.13  1.13
assign (resid   8 and name   HN) (resid   9 and name   HB)  3.56  1.86  1.86
assign (resid   9 and name   HN) (resid  10 and name   HN)  2.63  0.93  0.94
assign (resid   9 and name   HN) (resid   8 and name  HB*)  2.92  1.22  1.21
assign (resid  10 and name   HN) (resid  11 and name   HN)  2.61  0.91  0.91
assign (resid  10 and name   HN) (resid   9 and name HG2*)  3.39  1.69  1.69
assign (resid  10 and name   HN) (resid   9 and name   HA)  3.12  1.42  1.42
assign (resid  10 and name   HN) (resid   9 and name HG1*)  3.31  1.61  1.61
assign (resid  11 and name   HN) (resid  12 and name  HB2)  3.39  1.69  1.69
assign (resid  11 and name   HN) (resid  10 and name   HA)  2.77  1.07  1.06
assign (resid  11 and name   HN) (resid  12 and name   HA)  3.69  1.99  1.99
assign (resid  11 and name   HN) (resid  12 and name HD1*)  3.85  2.15  2.15
assign (resid  12 and name   HN) (resid  11 and name  HG*)  3.75  2.05  2.05
assign (resid  12 and name   HN) (resid  13 and name   HN)  3.59  1.89  1.89
assign (resid  12 and name   HN) (resid  11 and name   HA)  2.76  1.06  1.06
assign (resid  12 and name   HN) (resid  11 and name  HB1)  3.19  1.49  1.49
assign (resid  12 and name   HN) (resid  11 and name  HB2)  2.98  1.28  1.28
assign (resid  13 and name   HN) (resid  12 and name   HG)  3.85  2.15  2.15
assign (resid  13 and name   HN) (resid  12 and name  HB2)  3.38  1.68  1.68
assign (resid  13 and name   HN) (resid  12 and name HD2*)  3.69  1.99  1.98
assign (resid  13 and name   HN) (resid  12 and name   HA)  2.66  0.96  0.96
assign (resid  13 and name   HN) (resid  14 and name   HN)  3.85  2.15  2.15
assign (resid  14 and name   HN) (resid  13 and name   HB)  2.62  0.93  0.92
assign (resid  14 and name   HN) (resid  15 and name   HN)  2.72  1.02  1.02
assign (resid  14 and name   HN) (resid  13 and name   HA)  2.48  0.78  0.79
assign (resid  14 and name   HN) (resid  13 and name HG2*)  3.42  1.72  1.71
assign (resid  15 and name   HN) (resid  16 and name   HN)  2.65  0.95  0.95
assign (resid  15 and name   HN) (resid  14 and name   HA)  3.14  1.44  1.44
assign (resid  16 and name   HN) (resid  17 and name   HN)  2.50  0.80  0.79
assign (resid  16 and name   HN) (resid  15 and name   HA)  3.13  1.43  1.43
assign (resid  16 and name   HN) (resid  15 and name  HB2)  3.00  1.30  1.29
assign (resid  16 and name   HN) (resid  17 and name  HD*)  3.85  2.15  2.15
assign (resid  17 and name   HN) (resid  16 and name  HB*)  3.45  1.75  1.75
assign (resid  17 and name   HN) (resid  16 and name  HG*)  2.74  1.04  1.04
assign (resid  17 and name   HN) (resid  16 and name   HA)  3.21  1.51  1.51
assign (resid  18 and name   HN) (resid  19 and name   HN)  2.62  0.92  0.92
assign (resid  18 and name   HN) (resid  19 and name   HA)  3.55  1.85  1.85
assign (resid  18 and name   HN) (resid  17 and name  HG*)  3.85  2.15  2.15
assign (resid  18 and name   HN) (resid  17 and name  HB*)  2.79  1.09  1.08
assign (resid  19 and name   HN) (resid  18 and name  HB2)  2.90  1.20  1.20
assign (resid  19 and name   HN) (resid  20 and name   HN)  2.56  0.86  0.85
assign (resid  19 and name   HN) (resid  18 and name  HB1)  2.96  1.26  1.26
assign (resid  19 and name   HN) (resid  18 and name   HA)  3.08  1.39  1.38
assign (resid  19 and name   HN) (resid  20 and name  HB*)  3.85  2.15  2.15
assign (resid  20 and name   HN) (resid  19 and name   HA)  3.08  1.38  1.38
assign (resid  20 and name   HN) (resid  21 and name   HN)  2.67  0.97  0.98
assign (resid  20 and name   HN) (resid  19 and name  HB*)  3.03  1.33  1.33
assign (resid  21 and name   HN) (resid  22 and name   HN)  2.84  1.14  1.14
assign (resid  21 and name   HN) (resid  20 and name  HB*)  3.42  1.72  1.71
assign (resid  21 and name   HN) (resid  20 and name   HA)  3.05  1.35  1.35
assign (resid  22 and name   HN) (resid  21 and name  HB*)  2.91  1.21  1.21
assign (resid  22 and name   HN) (resid  23 and name   HN)  2.64  0.94  0.94
assign (resid  23 and name   HN) (resid  24 and name  HB2)  3.56  1.86  1.85
assign (resid  23 and name   HN) (resid  22 and name  HB*)  3.15  1.45  1.44
assign (resid  23 and name   HN) (resid  24 and name  HB1)  3.58  1.88  1.88
assign (resid  23 and name   HN) (resid  24 and name   HN)  2.60  0.90  0.90
assign (resid  24 and name   HN) (resid  23 and name  HB*)  2.73  1.03  1.04
assign (resid  25 and name   HN) (resid  24 and name  HD*)  3.23  1.53  1.53
assign (resid  25 and name   HN) (resid  24 and name  HB1)  2.75  1.05  1.05
assign (resid  25 and name   HN) (resid  26 and name   HN)  2.67  0.97  0.98
assign (resid  25 and name   HN) (resid  24 and name  HB2)  2.87  1.17  1.17
assign (resid  25 and name   HN) (resid  24 and name   HA)  3.15  1.45  1.44
assign (resid  26 and name   HN) (resid  25 and name   HA)  3.16  1.46  1.46
assign (resid  26 and name   HN) (resid  25 and name  HB1)  3.05  1.35  1.35
assign (resid  26 and name   HN) (resid  27 and name   HN)  2.54  0.84  0.84
assign (resid  26 and name   HN) (resid  25 and name  HB2)  2.97  1.27  1.27
assign (resid  27 and name   HN) (resid  26 and name HG1*)  3.29  1.59  1.59
assign (resid  27 and name   HN) (resid  26 and name   HB)  2.68  0.98  0.98
assign (resid  27 and name   HN) (resid  26 and name HG2*)  3.19  1.49  1.48
assign (resid  27 and name   HN) (resid  26 and name   HA)  2.91  1.21  1.21
assign (resid  28 and name   HN) (resid  27 and name   HA)  3.14  1.44  1.44
assign (resid  28 and name   HN) (resid  27 and name  HB1)  3.02  1.32  1.32
assign (resid  28 and name   HN) (resid  29 and name   HN)  2.65  0.95  0.95
assign (resid  28 and name   HN) (resid  27 and name  HB2)  2.86  1.16  1.16
assign (resid  29 and name   HN) (resid  28 and name HG1*)  3.85  2.15  2.15
assign (resid  29 and name   HN) (resid  28 and name   HB)  3.23  1.53  1.53
assign (resid  29 and name   HN) (resid  28 and name   HA)  2.90  1.20  1.19
assign (resid  29 and name   HN) (resid  28 and name HG2*)  3.48  1.78  1.78
assign (resid  29 and name   HN) (resid  30 and name   HN)  3.44  1.74  1.74
assign (resid  30 and name   HN) (resid  29 and name HD2*)  3.85  2.15  2.15
assign (resid  30 and name   HN) (resid  29 and name   HA)  2.81  1.11  1.11
assign (resid  30 and name   HN) (resid  31 and name   HN)  3.04  1.34  1.33
assign (resid  30 and name   HN) (resid  29 and name  HB*)  3.77  2.07  2.06
assign (resid  31 and name   HN) (resid  30 and name  HA*)  2.83  1.14  1.14
assign (resid  32 and name   HN) (resid  33 and name   HN)  3.03  1.33  1.33
assign (resid  32 and name   HN) (resid  31 and name  HB*)  3.48  1.78  1.78
assign (resid  32 and name   HN) (resid  31 and name   HA)  2.44  0.74  0.73
assign (resid  33 and name   HN) (resid  34 and name   HN)  2.84  1.14  1.14
assign (resid  33 and name   HN) (resid  32 and name  HG*)  3.71  2.01  2.01
assign (resid  33 and name   HN) (resid  32 and name  HB*)  3.52  1.82  1.81
assign (resid  33 and name   HN) (resid  32 and name   HA)  2.85  1.15  1.15
assign (resid  34 and name   HN) (resid  35 and name   HN)  2.83  1.14  1.14
assign (resid  34 and name   HN) (resid  33 and name  HB1)  3.85  2.15  2.15
assign (resid  34 and name   HN) (resid  33 and name  HB2)  3.85  2.15  2.15
assign (resid  34 and name   HN) (resid  33 and name   HA)  2.95  1.25  1.25
assign (resid  35 and name   HN) (resid  34 and name  HA*)  2.39  0.69  0.69
assign (resid  36 and name   HN) (resid  35 and name   HA)  2.44  0.74  0.75
assign (resid  36 and name   HN) (resid  35 and name  HB1)  2.60  0.90  0.90
assign (resid  37 and name   HN) (resid  36 and name   HB)  3.18  1.48  1.48
assign (resid  37 and name   HN) (resid  36 and name   HA)  2.80  1.10  1.10
assign (resid  37 and name   HN) (resid  36 and name HG2*)  3.53  1.83  1.83
assign (resid  38 and name   HN) (resid  37 and name  HB*)  3.11  1.41  1.41
assign (resid  38 and name   HN) (resid  39 and name   HN)  2.82  1.12  1.12
assign (resid  39 and name   HN) (resid  38 and name   HA)  2.94  1.24  1.23
assign (resid  39 and name   HN) (resid  38 and name   HB)  2.93  1.23  1.23
assign (resid  39 and name   HN) (resid  40 and name   HN)  2.59  0.89  0.89
assign (resid  40 and name   HN) (resid  39 and name  HB*)  3.15  1.45  1.44
assign (resid  40 and name   HN) (resid  41 and name  HB*)  3.26  1.56  1.56
assign (resid  40 and name   HN) (resid  39 and name   HA)  3.12  1.42  1.42
assign (resid  41 and name   HN) (resid  42 and name   HN)  3.21  1.51  1.50
assign (resid  42 and name   HN) (resid  43 and name   HN)  2.91  1.21  1.21
assign (resid  42 and name   HN) (resid  41 and name  HB*)  3.67  1.97  1.96
assign (resid  43 and name   HN) (resid  42 and name  HA*)  2.64  0.94  0.94
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)  2.50  0.80  0.81
assign (resid  44 and name   HN) (resid  43 and name   HA)  2.83  1.13  1.12
assign (resid  45 and name   HN) (resid  44 and name   HA)  3.05  1.35  1.35
assign (resid  45 and name   HN) (resid  46 and name   HN)  2.63  0.93  0.94
assign (resid  45 and name   HN) (resid  44 and name   HB)  2.50  0.80  0.80
assign (resid  45 and name   HN) (resid  44 and name HG2*)  3.17  1.47  1.46
assign (resid  46 and name   HN) (resid  47 and name  HB*)  3.79  2.09  2.09
assign (resid  46 and name   HN) (resid  45 and name   HA)  3.11  1.41  1.41
assign (resid  46 and name   HN) (resid  45 and name  HB*)  2.71  1.01  1.02
assign (resid  46 and name   HN) (resid  47 and name   HN)  2.57  0.87  0.87
assign (resid  47 and name   HN) (resid  46 and name   HA)  3.02  1.32  1.31
assign (resid  47 and name   HN) (resid  46 and name  HB*)  3.33  1.63  1.63
assign (resid  47 and name   HN) (resid  48 and name   HN)  2.60  0.90  0.90
assign (resid  48 and name   HN) (resid  47 and name  HB*)  2.98  1.28  1.28
assign (resid  48 and name   HN) (resid  47 and name   HA)  3.21  1.51  1.50
assign (resid  48 and name   HN) (resid  49 and name   HN)  2.69  0.99  0.99
assign (resid  49 and name   HN) (resid  50 and name  HG*)  3.72  2.02  2.02
assign (resid  49 and name   HN) (resid  50 and name   HN)  2.58  0.89  0.89
assign (resid  49 and name   HN) (resid  48 and name  HB*)  3.28  1.58  1.58
assign (resid  50 and name   HN) (resid  49 and name  HA*)  2.67  0.97  0.96
assign (resid  51 and name   HN) (resid  50 and name  HB2)  2.73  1.03  1.02
assign (resid  51 and name   HN) (resid  50 and name   HA)  2.36  0.66  0.67
assign (resid  51 and name   HN) (resid  50 and name  HB1)  2.42  0.72  0.73
assign (resid  51 and name   HN) (resid  52 and name  HD*)  2.85  1.15  1.15
assign (resid  53 and name   HN) (resid  54 and name  HD*)  3.56  1.86  1.86
assign (resid  53 and name   HN) (resid  52 and name  HB*)  2.75  1.05  1.04
assign (resid  55 and name   HN) (resid  56 and name   HN)  2.64  0.94  0.94
assign (resid  55 and name   HN) (resid  54 and name  HD*)  3.00  1.30  1.30
assign (resid  55 and name   HN) (resid  54 and name   HA)  3.24  1.54  1.54
assign (resid  56 and name   HN) (resid  57 and name  HB*)  3.81  2.11  2.10
assign (resid  56 and name   HN) (resid  57 and name   HN)  2.93  1.23  1.23
assign (resid  56 and name   HN) (resid  55 and name  HB*)  3.06  1.36  1.36
assign (resid  57 and name   HN) (resid  58 and name   HN)  3.00  1.30  1.30
assign (resid  57 and name   HN) (resid  56 and name  HB1)  3.50  1.80  1.80
assign (resid  58 and name   HN) (resid  57 and name  HB*)  2.75  1.05  1.04
assign (resid  58 and name   HN) (resid  59 and name   HN)  2.59  0.89  0.89
assign (resid  58 and name   HN) (resid  57 and name HD2*)  3.54  1.84  1.83
assign (resid  59 and name   HN) (resid  58 and name   HA)  3.29  1.59  1.59
assign (resid  60 and name   HN) (resid  61 and name HD1*)  3.85  2.15  2.15
assign (resid  61 and name   HN) (resid  60 and name   HN)  3.76  2.06  2.06
assign (resid  62 and name   HN) (resid  61 and name HG2*)  3.66  1.96  1.96
assign (resid  62 and name   HN) (resid  61 and name   HA)  3.12  1.43  1.42
assign (resid  62 and name   HN) (resid  61 and name   HB)  2.65  0.95  0.95
assign (resid  63 and name   HN) (resid  62 and name   HA)  3.10  1.40  1.40
assign (resid  63 and name   HN) (resid  62 and name  HB*)  3.04  1.34  1.34
assign (resid  63 and name   HN) (resid  64 and name   HN)  2.65  0.95  0.95
assign (resid  63 and name   HN) (resid  64 and name HG1*)  3.70  2.00  2.00
assign (resid  63 and name   HN) (resid  64 and name   HB)  3.27  1.57  1.57
assign (resid  65 and name   HN) (resid  64 and name HG1*)  2.92  1.22  1.21
assign (resid  65 and name   HN) (resid  64 and name   HA)  2.83  1.13  1.12
assign (resid  66 and name   HN) (resid  67 and name   HN)  2.70  1.00  1.00
assign (resid  66 and name   HN) (resid  67 and name   HA)  3.54  1.84  1.84
assign (resid  66 and name   HN) (resid  65 and name   HA)  2.75  1.05  1.05
assign (resid  67 and name   HN) (resid  66 and name  HG*)  3.85  2.15  2.15
assign (resid  67 and name   HN) (resid  68 and name  HA*)  3.40  1.70  1.69
assign (resid  67 and name   HN) (resid  68 and name   HN)  2.56  0.86  0.87
assign (resid  67 and name   HN) (resid  66 and name   HA)  2.88  1.18  1.17
assign (resid  68 and name   HN) (resid  69 and name   HN)  2.75  1.05  1.05
assign (resid  68 and name   HN) (resid  67 and name   HA)  2.96  1.26  1.25
assign (resid  68 and name   HN) (resid  67 and name  HB*)  3.70  2.00  2.00
assign (resid  69 and name   HN) (resid  70 and name  HA*)  3.73  2.03  2.03
assign (resid  69 and name   HN) (resid  68 and name  HA*)  2.70  1.00  1.00
assign (resid  69 and name   HN) (resid  70 and name   HN)  2.90  1.20  1.19
assign (resid  70 and name   HN) (resid  71 and name   HN)  2.75  1.05  1.06
assign (resid  70 and name   HN) (resid  71 and name HG2*)  3.85  2.15  2.15
assign (resid  71 and name   HN) (resid  70 and name  HA*)  2.71  1.01  1.00
assign (resid  72 and name   HN) (resid  71 and name   HA)  2.31  0.61  0.62
assign (resid  73 and name   HN) (resid  72 and name HG1*)  3.58  1.89  1.88
assign (resid  73 and name   HN) (resid  72 and name   HA)  2.64  0.94  0.94
assign (resid  73 and name   HN) (resid  72 and name HG2*)  3.85  2.15  2.15
assign (resid  74 and name   HN) (resid  73 and name  HB*)  2.91  1.21  1.21
assign (resid  74 and name   HN) (resid  73 and name   HA)  2.83  1.13  1.13
assign (resid  74 and name   HN) (resid  75 and name   HN)  2.99  1.29  1.29
assign (resid  75 and name   HN) (resid  76 and name   HN)  2.69  0.99  0.98
assign (resid  75 and name   HN) (resid  74 and name   HA)  3.10  1.41  1.40
assign (resid  75 and name   HN) (resid  74 and name  HB2)  2.95  1.25  1.25
assign (resid  75 and name   HN) (resid  74 and name  HD*)  3.56  1.86  1.86
assign (resid  76 and name   HN) (resid  75 and name  HB*)  3.24  1.54  1.54
assign (resid  76 and name   HN) (resid  77 and name   HN)  2.71  1.01  1.00
assign (resid  77 and name   HN) (resid  78 and name   HN)  2.62  0.92  0.92
assign (resid  77 and name   HN) (resid  76 and name  HG*)  3.17  1.47  1.46
assign (resid  78 and name   HN) (resid  77 and name  HB2)  2.87  1.17  1.17
assign (resid  78 and name   HN) (resid  77 and name  HB1)  2.61  0.91  0.92
assign (resid  78 and name   HN) (resid  77 and name   HA)  3.00  1.30  1.29
assign (resid  79 and name   HN) (resid  80 and name   HN)  2.52  0.82  0.82
assign (resid  79 and name   HN) (resid  78 and name   HN)  2.69  0.99  0.99
assign (resid  79 and name   HN) (resid  78 and name   HA)  3.05  1.35  1.35
assign (resid  79 and name   HN) (resid  78 and name  HB2)  2.95  1.25  1.25
assign (resid  80 and name   HN) (resid  79 and name HG1*)  3.54  1.84  1.83
assign (resid  80 and name   HN) (resid  79 and name   HA)  2.79  1.09  1.09
assign (resid  80 and name   HN) (resid  81 and name   HN)  2.60  0.90  0.90
assign (resid  80 and name   HN) (resid  79 and name HG2*)  3.42  1.72  1.72
assign (resid  80 and name   HN) (resid  81 and name  HB2)  3.15  1.45  1.44
assign (resid  81 and name   HN) (resid  80 and name  HB*)  2.96  1.26  1.25
assign (resid  81 and name   HN) (resid  80 and name   HA)  3.01  1.31  1.31
assign (resid  81 and name   HN) (resid  82 and name   HN)  2.60  0.90  0.90
assign (resid  82 and name   HN) (resid  81 and name   HA)  3.11  1.41  1.41
assign (resid  82 and name   HN) (resid  81 and name  HB2)  2.79  1.09  1.08
assign (resid  84 and name   HN) (resid  83 and name  HG*)  3.31  1.61  1.61
assign (resid  84 and name   HN) (resid  83 and name  HB2)  2.85  1.15  1.15
assign (resid  84 and name   HN) (resid  83 and name  HB1)  2.81  1.11  1.11
assign (resid  84 and name   HN) (resid  83 and name   HA)  2.81  1.11  1.12
assign (resid  85 and name   HN) (resid  84 and name  HB*)  3.19  1.49  1.48
assign (resid  86 and name   HN) (resid  85 and name  HB*)  3.42  1.72  1.72
assign (resid  86 and name   HN) (resid  87 and name   HN)  3.34  1.64  1.64
assign (resid  22 and name   HA) (resid  23 and name   HN)  2.86  1.16  1.16
assign (resid  31 and name  HB*) (resid  32 and name  HB*)  3.85  2.15  2.15
assign (resid  31 and name  HB*) (resid  32 and name  HG*)  3.85  2.15  2.15
assign (resid  84 and name   HA) (resid  85 and name   HN)  3.03  1.33  1.33
assign (resid   3 and name   HA) (resid   4 and name   HN)  2.73  1.03  1.04
assign (resid  62 and name   HA) (resid  61 and name HG2*)  3.39  1.69  1.69
assign (resid  10 and name  HB*) (resid  11 and name   HN)  3.38  1.68  1.68
assign (resid  55 and name   HA) (resid  56 and name   HN)  3.43  1.73  1.73
assign (resid  56 and name  HB2) (resid  57 and name   HN)  2.34  0.64  0.64
assign (resid  59 and name  HB*) (resid  60 and name   HN)  3.02  1.32  1.32
assign (resid  66 and name  HB*) (resid  67 and name   HN)  3.75  2.05  2.05
assign (resid  27 and name   HA) (resid  26 and name HG2*)  3.70  2.00  2.00
assign (resid   4 and name HD1*) (resid   5 and name   HN)  3.85  2.15  2.15
assign (resid  86 and name   HA) (resid  87 and name   HN)  2.84  1.14  1.14
assign (resid  12 and name  HB1) (resid  13 and name   HN)  2.89  1.19  1.19
assign (resid  41 and name   HA) (resid  40 and name   HN)  3.48  1.78  1.78
assign (resid  57 and name   HA) (resid  58 and name   HN)  3.77  2.07  2.06
assign (resid  78 and name  HB1) (resid  79 and name   HN)  3.04  1.34  1.33
assign (resid  45 and name   HA) (resid  44 and name HG1*)  3.83  2.12  2.12
assign (resid  45 and name  HE*) (resid  44 and name HG1*)  3.85  2.15  2.15
assign (resid  47 and name  HE*) (resid  48 and name HD2*)  3.85  2.15  2.15
assign (resid  80 and name   HA) (resid  79 and name HG1*)  3.85  2.15  2.15
assign (resid  80 and name  HE*) (resid  81 and name   HN)  3.85  2.15  2.15
assign (resid  51 and name   HA) (resid  52 and name  HD*)  2.56  0.86  0.86
assign (resid  51 and name  HB*) (resid  52 and name  HD*)  3.49  1.79  1.79
assign (resid  54 and name  HB*) (resid  55 and name   HN)  3.19  1.49  1.48
assign (resid  54 and name  HD*) (resid  53 and name   HA)  2.78  1.08  1.08
assign (resid  54 and name  HD*) (resid  53 and name   HB)  2.80  1.10  1.10
assign (resid  54 and name  HD*) (resid  53 and name HG2*)  3.81  2.11  2.11
assign (resid  58 and name  HB*) (resid  59 and name   HN)  3.79  2.09  2.09
assign (resid  58 and name  HG*) (resid  59 and name   HA)  3.68  1.98  1.98
assign (resid  83 and name   HA) (resid  82 and name HG1*)  3.46  1.76  1.75
assign (resid  13 and name   HA) (resid  14 and name  HB*)  3.85  2.15  2.15
assign (resid  13 and name HG2*) (resid  12 and name   HA)  3.72  2.02  2.02
assign (resid  44 and name HG1*) (resid  45 and name   HN)  3.15  1.45  1.45
assign (resid  64 and name HG1*) (resid  65 and name  HB*)  3.65  1.95  1.94
assign (resid  72 and name HG2*) (resid  71 and name   HA)  3.85  2.15  2.15
assign (resid  79 and name   HB) (resid  80 and name   HN)  2.58  0.88  0.88
assign (resid  79 and name HG1*) (resid  80 and name  HG*)  3.85  2.15  2.15
assign (resid   9 and name   HB) (resid  10 and name   HN)  2.67  0.97  0.97
assign (resid   9 and name HG1*) (resid  10 and name   HA)  3.07  1.37  1.37
assign (resid   5 and name   HA) (resid   6 and name   HN)  3.10  1.41  1.40
assign (resid  25 and name   HA) (resid  24 and name  HD*)  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 HG1*) (resid   5 and name  HD*)  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 HD2*) (resid  77 and name  HD*)  3.85  2.15  2.15
assign (resid  11 and name HE22) (resid  10 and name  HB*)  3.85  2.15  2.15
class medium
assign (resid   6 and name   HN) (resid   4 and name   HN)  3.60  1.91  1.90
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assign (resid   7 and name   HN) (resid   4 and name   HA)  3.23  1.53  1.53
assign (resid   8 and name   HN) (resid   5 and name   HA)  2.96  1.26  1.25
assign (resid   8 and name   HN) (resid   6 and name   HA)  3.70  2.00  2.00
assign (resid   8 and name   HN) (resid  10 and name   HN)  3.41  1.71  1.71
assign (resid   8 and name   HN) (resid   4 and name   HA)  3.71  2.01  2.01
assign (resid   9 and name   HN) (resid  11 and name   HN)  3.38  1.68  1.67
assign (resid   9 and name   HN) (resid   6 and name   HA)  2.81  1.11  1.10
assign (resid   9 and name   HN) (resid   5 and name   HA)  3.35  1.65  1.65
assign (resid  10 and name   HN) (resid   7 and name  HB*)  3.85  2.15  2.15
assign (resid  10 and name   HN) (resid   8 and name  HB*)  3.85  2.15  2.15
assign (resid  11 and name   HN) (resid   9 and name   HA)  3.12  1.42  1.42
assign (resid  12 and name   HN) (resid   9 and name   HA)  2.85  1.16  1.15
assign (resid  12 and name   HN) (resid  10 and name   HA)  3.02  1.32  1.31
assign (resid  12 and name   HN) (resid  10 and name   HN)  3.42  1.72  1.71
assign (resid  13 and name   HN) (resid  16 and name   HA)  3.85  2.15  2.15
assign (resid  13 and name   HN) (resid  16 and name  HB*)  3.85  2.15  2.15
assign (resid  13 and name   HN) (resid  16 and name  HG*)  3.66  1.96  1.96
assign (resid  13 and name   HN) (resid  16 and name   HN)  3.50  1.80  1.80
assign (resid  13 and name   HN) (resid  17 and name   HN)  3.50  1.80  1.80
assign (resid  14 and name   HN) (resid  16 and name   HN)  3.33  1.63  1.62
assign (resid  15 and name   HN) (resid  13 and name HG2*)  3.81  2.11  2.11
assign (resid  15 and name   HN) (resid  13 and name   HB)  2.83  1.13  1.13
assign (resid  15 and name   HN) (resid  13 and name   HA)  3.36  1.66  1.66
assign (resid  16 and name   HN) (resid  13 and name   HA)  3.33  1.64  1.63
assign (resid  16 and name   HN) (resid  13 and name   HB)  3.02  1.32  1.32
assign (resid  17 and name   HN) (resid  12 and name HD1*)  3.85  2.15  2.15
assign (resid  18 and name   HN) (resid  16 and name   HN)  3.79  2.09  2.09
assign (resid  18 and name   HN) (resid  16 and name   HA)  3.50  1.80  1.79
assign (resid  18 and name   HN) (resid  15 and name   HA)  3.01  1.31  1.31
assign (resid  19 and name   HN) (resid  21 and name   HN)  3.66  1.96  1.96
assign (resid  19 and name   HN) (resid  16 and name   HA)  3.08  1.39  1.38
assign (resid  19 and name   HN) (resid  15 and name   HA)  3.45  1.75  1.75
assign (resid  19 and name   HN) (resid  17 and name   HA)  3.29  1.59  1.59
assign (resid  20 and name   HN) (resid  16 and name   HA)  3.32  1.62  1.62
assign (resid  20 and name   HN) (resid  18 and name   HA)  3.24  1.54  1.54
assign (resid  20 and name   HN) (resid  17 and name   HA)  3.06  1.36  1.35
assign (resid  21 and name   HN) (resid  18 and name   HA)  3.02  1.32  1.31
assign (resid  21 and name   HN) (resid  23 and name   HN)  3.29  1.59  1.59
assign (resid  21 and name   HN) (resid  19 and name   HA)  3.01  1.31  1.31
assign (resid  22 and name   HN) (resid  18 and name   HA)  3.39  1.69  1.69
assign (resid  22 and name   HN) (resid  24 and name   HN)  3.85  2.15  2.15
assign (resid  22 and name   HN) (resid  20 and name   HN)  3.66  1.96  1.96
assign (resid  23 and name   HN) (resid  26 and name   HN)  3.37  1.67  1.67
assign (resid  23 and name   HN) (resid  20 and name   HA)  3.02  1.32  1.32
assign (resid  24 and name   HN) (resid  22 and name  HB*)  3.85  2.15  2.15
assign (resid  24 and name   HN) (resid  26 and name HG1*)  3.45  1.75  1.75
assign (resid  24 and name   HN) (resid  27 and name  HD*)  3.31  1.61  1.61
assign (resid  24 and name   HN) (resid  21 and name   HA)  2.87  1.17  1.17
assign (resid  24 and name   HN) (resid  27 and name  HE*)  3.18  1.48  1.48
assign (resid  24 and name   HN) (resid  22 and name   HA)  3.52  1.82  1.82
assign (resid  25 and name   HN) (resid  21 and name  HG*)  3.60  1.90  1.90
assign (resid  25 and name   HN) (resid  22 and name   HA)  2.77  1.07  1.07
assign (resid  25 and name   HN) (resid  23 and name  HB*)  3.75  2.04  2.04
assign (resid  25 and name   HN) (resid  21 and name   HA)  3.13  1.43  1.43
assign (resid  25 and name   HN) (resid  23 and name   HN)  3.41  1.71  1.71
assign (resid  25 and name   HN) (resid  27 and name   HN)  3.57  1.87  1.87
assign (resid  25 and name   HN) (resid  28 and name HG2*)  3.85  2.15  2.15
assign (resid  25 and name   HN) (resid  22 and name  HB*)  3.85  2.15  2.15
assign (resid  26 and name   HN) (resid  23 and name   HA)  2.88  1.18  1.17
assign (resid  27 and name   HN) (resid  24 and name   HA)  2.96  1.26  1.26
assign (resid  27 and name   HN) (resid  23 and name   HA)  3.33  1.63  1.62
assign (resid  28 and name   HN) (resid  25 and name   HA)  3.08  1.38  1.38
assign (resid  28 and name   HN) (resid  26 and name   HA)  3.18  1.48  1.48
assign (resid  29 and name   HN) (resid  26 and name   HA)  3.24  1.54  1.54
assign (resid  29 and name   HN) (resid  27 and name   HA)  3.56  1.86  1.86
assign (resid  29 and name   HN) (resid  25 and name   HA)  3.67  1.97  1.97
assign (resid  29 and name   HN) (resid  31 and name   HN)  3.80  2.10  2.10
assign (resid  31 and name   HN) (resid  28 and name HG1*)  3.74  2.04  2.04
assign (resid  31 and name   HN) (resid  28 and name   HB)  3.31  1.61  1.61
assign (resid  31 and name   HN) (resid  28 and name HG2*)  3.79  2.09  2.09
assign (resid  33 and name   HN) (resid  31 and name  HB*)  3.21  1.51  1.51
assign (resid  33 and name   HN) (resid  31 and name   HA)  3.28  1.58  1.58
assign (resid  33 and name   HN) (resid  35 and name   HN)  3.42  1.72  1.72
assign (resid  34 and name   HN) (resid  31 and name  HB*)  3.11  1.41  1.41
assign (resid  34 and name   HN) (resid  32 and name  HB*)  3.85  2.15  2.15
assign (resid  34 and name   HN) (resid  32 and name   HA)  3.43  1.73  1.73
assign (resid  35 and name   HN) (resid  31 and name  HB*)  2.87  1.17  1.17
assign (resid  37 and name   HN) (resid  40 and name  HB*)  3.14  1.44  1.44
assign (resid  40 and name   HN) (resid  36 and name HG2*)  3.77  2.08  2.07
assign (resid  40 and name   HN) (resid  37 and name   HN)  3.10  1.40  1.40
assign (resid  40 and name   HN) (resid  38 and name   HA)  3.00  1.30  1.30
assign (resid  40 and name   HN) (resid  38 and name   HN)  3.33  1.64  1.63
assign (resid  41 and name   HN) (resid  36 and name HG2*)  3.85  2.15  2.15
assign (resid  41 and name   HN) (resid  38 and name   HA)  2.91  1.21  1.21
assign (resid  42 and name   HN) (resid  44 and name   HB)  3.85  2.15  2.15
assign (resid  43 and name   HN) (resid  45 and name   HN)  3.52  1.82  1.81
assign (resid  43 and name   HN) (resid  40 and name   HA)  3.23  1.53  1.52
assign (resid  43 and name   HN) (resid  41 and name   HN)  3.59  1.89  1.89
assign (resid  44 and name   HN) (resid  41 and name   HA)  3.04  1.34  1.34
assign (resid  44 and name   HN) (resid  41 and name HD2*)  3.85  2.15  2.15
assign (resid  45 and name   HN) (resid  42 and name  HA*)  2.90  1.20  1.19
assign (resid  45 and name   HN) (resid  47 and name   HN)  3.14  1.44  1.44
assign (resid  45 and name   HN) (resid  41 and name HD2*)  3.82  2.12  2.12
assign (resid  46 and name   HN) (resid  43 and name   HA)  2.96  1.26  1.25
assign (resid  47 and name   HN) (resid  44 and name   HA)  3.04  1.34  1.33
assign (resid  48 and name   HN) (resid  45 and name   HA)  2.96  1.26  1.26
assign (resid  49 and name   HN) (resid  45 and name   HA)  3.81  2.11  2.10
assign (resid  49 and name   HN) (resid  46 and name   HA)  3.14  1.44  1.44
assign (resid  49 and name   HN) (resid  47 and name   HN)  3.44  1.74  1.74
assign (resid  49 and name   HN) (resid  47 and name  HB*)  3.85  2.15  2.15
assign (resid  50 and name   HN) (resid  46 and name   HA)  2.81  1.11  1.11
assign (resid  50 and name   HN) (resid  48 and name  HB*)  2.75  1.05  1.06
assign (resid  53 and name   HN) (resid  56 and name   HN)  2.93  1.23  1.23
assign (resid  53 and name   HN) (resid  56 and name  HB1)  2.62  0.93  0.92
assign (resid  53 and name   HN) (resid  57 and name   HN)  3.46  1.76  1.75
assign (resid  55 and name   HN) (resid  53 and name   HB)  2.77  1.07  1.08
assign (resid  55 and name   HN) (resid  53 and name HG2*)  3.85  2.15  2.15
assign (resid  56 and name   HN) (resid  54 and name   HA)  3.85  2.15  2.15
assign (resid  56 and name   HN) (resid  53 and name HG2*)  3.85  2.15  2.15
assign (resid  56 and name   HN) (resid  53 and name   HB)  3.42  1.72  1.72
assign (resid  57 and name   HN) (resid  52 and name  HB*)  3.61  1.91  1.91
assign (resid  57 and name   HN) (resid  54 and name   HA)  3.58  1.88  1.88
assign (resid  58 and name   HN) (resid  54 and name   HA)  3.67  1.97  1.96
assign (resid  59 and name   HN) (resid  57 and name   HN)  3.47  1.77  1.77
assign (resid  60 and name   HN) (resid  58 and name   HA)  3.82  2.12  2.12
assign (resid  62 and name   HN) (resid  59 and name   HA)  2.97  1.27  1.27
assign (resid  63 and name   HN) (resid  61 and name   HA)  3.48  1.78  1.78
assign (resid  63 and name   HN) (resid  60 and name   HA)  3.31  1.61  1.61
assign (resid  65 and name   HN) (resid  61 and name   HA)  2.90  1.20  1.20
assign (resid  65 and name   HN) (resid  62 and name   HA)  3.23  1.53  1.52
assign (resid  67 and name   HN) (resid  69 and name   HN)  3.16  1.46  1.46
assign (resid  67 and name   HN) (resid  65 and name   HA)  3.15  1.45  1.44
assign (resid  68 and name   HN) (resid  66 and name   HA)  3.50  1.80  1.80
assign (resid  68 and name   HN) (resid  65 and name  HB*)  3.54  1.84  1.84
assign (resid  68 and name   HN) (resid  66 and name   HN)  3.47  1.77  1.77
assign (resid  68 and name   HN) (resid  65 and name   HA)  3.54  1.84  1.84
assign (resid  69 and name   HN) (resid  67 and name   HA)  3.38  1.68  1.68
assign (resid  73 and name   HN) (resid  76 and name  HB*)  3.85  2.15  2.15
assign (resid  73 and name   HN) (resid  76 and name  HG*)  3.85  2.15  2.15
assign (resid  73 and name   HN) (resid  76 and name   HN)  3.69  1.99  1.99
assign (resid  75 and name   HN) (resid  77 and name   HN)  3.23  1.53  1.53
assign (resid  75 and name   HN) (resid  73 and name  HB*)  3.12  1.43  1.42
assign (resid  77 and name   HN) (resid  72 and name   HB)  3.35  1.66  1.65
assign (resid  77 and name   HN) (resid  72 and name   HA)  3.16  1.46  1.46
assign (resid  81 and name   HN) (resid  79 and name   HN)  3.17  1.47  1.46
assign (resid  81 and name   HN) (resid  78 and name   HA)  2.79  1.09  1.09
assign (resid  82 and name   HN) (resid  79 and name   HA)  2.86  1.16  1.16
assign (resid  82 and name   HN) (resid  78 and name   HA)  3.19  1.49  1.49
assign (resid  82 and name   HN) (resid  85 and name  HG*)  3.27  1.57  1.56
assign (resid  83 and name   HN) (resid  80 and name   HA)  3.33  1.64  1.63
assign (resid  83 and name   HN) (resid  79 and name HG1*)  3.85  2.15  2.15
assign (resid  83 and name   HN) (resid  79 and name   HA)  3.62  1.92  1.92
assign (resid  84 and name   HN) (resid  81 and name   HA)  3.10  1.40  1.40
assign (resid  84 and name   HN) (resid  80 and name   HA)  3.18  1.48  1.48
assign (resid  23 and name   HA) (resid  26 and name HD1*)  2.96  1.26  1.25
assign (resid  23 and name  HB*) (resid  20 and name   HA)  3.39  1.69  1.69
assign (resid  31 and name  HB*) (resid  28 and name   HB)  2.80  1.10  1.10
assign (resid  31 and name  HB*) (resid  28 and name HG1*)  3.85  2.15  2.15
assign (resid  31 and name  HB*) (resid  28 and name HG2*)  3.85  2.15  2.15
assign (resid   7 and name  HB*) (resid  10 and name  HB*)  3.85  2.15  2.15
assign (resid   7 and name  HB*) (resid   4 and name   HA)  2.88  1.18  1.17
assign (resid   8 and name   HA) (resid  11 and name  HB2)  2.71  1.01  1.02
assign (resid   8 and name  HB*) (resid   5 and name   HA)  2.95  1.25  1.25
assign (resid  25 and name   HA) (resid  28 and name   HB)  3.15  1.45  1.44
assign (resid  25 and name   HA) (resid  28 and name HG1*)  3.49  1.79  1.79
assign (resid  25 and name   HA) (resid  28 and name HG2*)  2.66  0.96  0.96
assign (resid  25 and name  HB1) (resid  28 and name HG2*)  3.85  2.15  2.15
assign (resid  25 and name  HB2) (resid  28 and name HG2*)  3.85  2.15  2.15
assign (resid   3 and name   HA) (resid   6 and name  HB*)  3.21  1.51  1.51
assign (resid   3 and name   HA) (resid   6 and name  HD*)  3.70  2.00  2.00
assign (resid   3 and name   HA) (resid   6 and name  HG*)  3.38  1.68  1.68
assign (resid   3 and name   HA) (resid   6 and name   HN)  3.21  1.51  1.50
assign (resid   3 and name   HA) (resid   5 and name   HN)  3.68  1.98  1.98
assign (resid   3 and name  HB*) (resid   6 and name  HB*)  3.59  1.89  1.89
assign (resid  62 and name   HA) (resid  65 and name  HB*)  2.83  1.14  1.14
assign (resid  62 and name   HA) (resid  58 and name HE22)  2.79  1.09  1.09
assign (resid  62 and name  HB*) (resid  59 and name   HA)  2.85  1.15  1.15
assign (resid  65 and name  HB*) (resid  61 and name HG2*)  3.29  1.59  1.59
assign (resid  75 and name   HA) (resid  78 and name HD1*)  3.61  1.91  1.91
assign (resid  75 and name   HA) (resid  78 and name   HN)  3.59  1.89  1.89
assign (resid  14 and name   HA) (resid  17 and name  HD*)  3.54  1.84  1.83
assign (resid  14 and name   HA) (resid  17 and name  HE*)  3.85  2.15  2.15
assign (resid  14 and name   HA) (resid  18 and name  HB2)  3.22  1.52  1.52
assign (resid  14 and name  HG*) (resid  18 and name HD21)  3.83  2.13  2.13
assign (resid  14 and name  HG*) (resid  18 and name HD22)  3.83  2.13  2.13
assign (resid  15 and name   HA) (resid  18 and name  HB1)  3.07  1.37  1.37
assign (resid  15 and name   HA) (resid  18 and name  HB2)  2.91  1.21  1.21
assign (resid  15 and name   HA) (resid  18 and name HD21)  3.39  1.69  1.69
assign (resid  15 and name   HA) (resid  18 and name HD22)  3.28  1.58  1.58
assign (resid  15 and name  HG*) (resid  13 and name   HA)  3.35  1.65  1.65
assign (resid  19 and name   HA) (resid  22 and name  HB*)  2.98  1.28  1.28
assign (resid  19 and name   HA) (resid  22 and name   HN)  3.06  1.36  1.36
assign (resid  19 and name  HB*) (resid  16 and name   HA)  3.38  1.68  1.67
assign (resid  55 and name   HA) (resid  58 and name   HN)  3.31  1.61  1.61
assign (resid  63 and name  HB*) (resid  60 and name   HA)  3.85  2.15  2.15
assign (resid  76 and name   HA) (resid  79 and name   HN)  3.37  1.67  1.67
assign (resid  76 and name  HB*) (resid  72 and name HG2*)  3.85  2.15  2.15
assign (resid  76 and name  HB*) (resid  72 and name HG1*)  3.46  1.76  1.76
assign (resid  20 and name  HB*) (resid  17 and name   HA)  3.62  1.92  1.92
assign (resid  24 and name  HB2) (resid  21 and name   HA)  3.00  1.30  1.30
assign (resid  24 and name  HB1) (resid  21 and name   HA)  2.77  1.07  1.08
assign (resid  74 and name   HA) (resid  77 and name   HN)  2.89  1.19  1.19
assign (resid  77 and name   HA) (resid  80 and name  HB*)  2.94  1.24  1.24
assign (resid  77 and name   HA) (resid  72 and name   HB)  2.83  1.13  1.12
assign (resid  77 and name   HA) (resid  72 and name HG2*)  3.73  2.03  2.03
assign (resid  77 and name   HA) (resid  72 and name HG1*)  2.98  1.28  1.27
assign (resid  77 and name  HB2) (resid  74 and name   HA)  2.62  0.93  0.92
assign (resid  77 and name  HB2) (resid  72 and name HG1*)  2.98  1.28  1.28
assign (resid  77 and name  HB1) (resid  74 and name   HA)  2.72  1.02  1.02
assign (resid  77 and name  HB1) (resid  72 and name HG1*)  3.46  1.76  1.76
assign (resid  34 and name  HA*) (resid  31 and name  HB*)  2.69  0.99  0.99
assign (resid  42 and name  HA*) (resid  45 and name  HB*)  2.71  1.01  1.01
assign (resid  26 and name   HA) (resid  29 and name HD2*)  3.38  1.68  1.67
assign (resid  26 and name   HA) (resid  29 and name HD1*)  3.61  1.91  1.91
assign (resid  26 and name   HB) (resid  23 and name   HA)  2.90  1.20  1.19
assign (resid  26 and name HG2*) (resid  23 and name   HA)  3.75  2.05  2.05
assign (resid  36 and name HG2*) (resid  40 and name  HB*)  3.31  1.61  1.60
assign (resid  36 and name HG2*) (resid  41 and name   HA)  3.46  1.76  1.75
assign (resid  36 and name HG2*) (resid  41 and name  HB*)  3.85  2.15  2.15
assign (resid  61 and name   HB) (resid  58 and name   HA)  2.69  0.99  1.00
assign (resid  61 and name HG2*) (resid  58 and name   HA)  3.85  2.15  2.15
assign (resid  61 and name HG2*) (resid  58 and name HE21)  3.38  1.68  1.68
assign (resid  61 and name HG2*) (resid  58 and name HE22)  3.60  1.91  1.90
assign (resid  17 and name  HD*) (resid  12 and name  HD*)  3.85  2.15  2.15
assign (resid  21 and name  HB*) (resid  18 and name   HA)  2.92  1.22  1.22
assign (resid  43 and name   HA) (resid  46 and name  HD*)  3.38  1.68  1.67
assign (resid  12 and name  HB1) (resid  16 and name  HG*)  3.17  1.47  1.47
assign (resid  12 and name HD2*) (resid  16 and name  HB*)  3.85  2.15  2.15
assign (resid  12 and name HD2*) (resid  16 and name HE21)  3.85  2.15  2.15
assign (resid  12 and name HD2*) (resid  16 and name  HG*)  3.85  2.15  2.15
assign (resid  12 and name HD2*) (resid   9 and name   HA)  3.85  2.15  2.15
assign (resid  12 and name   HG) (resid   9 and name   HA)  2.62  0.92  0.92
assign (resid  29 and name   HG) (resid  26 and name   HA)  3.63  1.93  1.93
assign (resid  41 and name   HA) (resid  44 and name   HB)  2.81  1.11  1.10
assign (resid  41 and name   HA) (resid  44 and name  HG*)  3.41  1.71  1.71
assign (resid  41 and name  HB*) (resid  38 and name   HA)  3.19  1.49  1.49
assign (resid  41 and name HD2*) (resid  45 and name  HB*)  3.85  2.15  2.15
assign (resid  41 and name HD2*) (resid  45 and name  HE*)  3.85  2.15  2.15
assign (resid  41 and name HD2*) (resid  45 and name  HG*)  3.65  1.95  1.94
assign (resid  41 and name HD2*) (resid  44 and name   HB)  3.62  1.92  1.92
assign (resid  41 and name HD1*) (resid  45 and name  HG*)  3.85  2.15  2.15
assign (resid  41 and name HD1*) (resid  38 and name   HA)  3.85  2.15  2.15
assign (resid  41 and name HD1*) (resid  44 and name   HB)  3.74  2.04  2.04
assign (resid  48 and name HD1*) (resid  45 and name   HA)  3.85  2.15  2.15
assign (resid  48 and name HD1*) (resid  44 and name HG1*)  3.85  2.15  2.15
assign (resid  48 and name HD2*) (resid  44 and name HG1*)  3.85  2.15  2.15
assign (resid  57 and name   HA) (resid  61 and name HG1*)  3.34  1.64  1.64
assign (resid  57 and name   HA) (resid  60 and name   HN)  3.58  1.88  1.88
assign (resid  57 and name  HB*) (resid  54 and name   HA)  3.58  1.88  1.88
assign (resid  57 and name HD2*) (resid  54 and name   HA)  3.77  2.08  2.07
assign (resid  78 and name HD2*) (resid  74 and name   HZ)  3.85  2.15  2.15
assign (resid  78 and name HD2*) (resid  81 and name  HB1)  3.27  1.57  1.57
assign (resid  78 and name HD2*) (resid  81 and name  HB2)  3.85  2.15  2.15
assign (resid  47 and name   HA) (resid  49 and name   HN)  3.60  1.90  1.90
assign (resid  47 and name  HE*) (resid  44 and name   HA)  3.85  2.15  2.15
assign (resid  47 and name  HE*) (resid  44 and name HG1*)  3.85  2.15  2.15
assign (resid  47 and name  HG*) (resid  44 and name   HA)  2.69  0.99  0.98
assign (resid  80 and name   HA) (resid  83 and name  HB2)  2.85  1.16  1.15
assign (resid  80 and name   HA) (resid  83 and name  HB1)  3.05  1.35  1.35
assign (resid  80 and name  HE*) (resid  77 and name   HA)  3.85  2.15  2.15
assign (resid  81 and name   HA) (resid  84 and name  HB*)  3.07  1.37  1.37
assign (resid  81 and name  HB2) (resid  78 and name   HA)  3.16  1.46  1.46
assign (resid  85 and name  HE*) (resid  81 and name   HA)  3.85  2.15  2.15
assign (resid  85 and name  HE*) (resid  82 and name   HA)  3.62  1.93  1.92
assign (resid  85 and name  HE*) (resid  82 and name HG1*)  3.85  2.15  2.15
assign (resid  85 and name  HE*) (resid  82 and name HG2*)  3.85  2.15  2.15
assign (resid  51 and name   HA) (resid  46 and name  HG*)  3.22  1.52  1.52
assign (resid  52 and name  HD*) (resid  50 and name   HA)  3.11  1.41  1.41
assign (resid  52 and name  HD*) (resid  50 and name  HB2)  2.98  1.28  1.28
assign (resid  52 and name  HG*) (resid  57 and name  HD*)  3.21  1.51  1.51
assign (resid  54 and name   HA) (resid  57 and name  HD*)  3.10  1.41  1.40
assign (resid  11 and name  HB1) (resid   8 and name   HA)  3.28  1.58  1.58
assign (resid  58 and name   HA) (resid  61 and name HD1*)  3.40  1.70  1.70
assign (resid  58 and name   HA) (resid  61 and name   HN)  3.79  2.08  2.08
assign (resid  58 and name  HB*) (resid  55 and name   HA)  3.54  1.84  1.84
assign (resid  38 and name   HA) (resid  41 and name   HG)  2.73  1.03  1.03
assign (resid  53 and name HG2*) (resid  55 and name  HB*)  3.85  2.15  2.15
assign (resid  28 and name   HA) (resid  31 and name  HB*)  3.35  1.65  1.65
assign (resid  44 and name HG2*) (resid  41 and name   HA)  3.49  1.79  1.79
assign (resid  64 and name HG1*) (resid  61 and name   HA)  3.44  1.74  1.73
assign (resid  72 and name HG1*) (resid  77 and name   HN)  2.83  1.13  1.12
assign (resid  79 and name   HB) (resid  76 and name   HA)  2.62  0.92  0.92
assign (resid  79 and name HG1*) (resid  83 and name  HD*)  3.85  2.15  2.15
assign (resid  79 and name HG1*) (resid  83 and name  HG*)  3.70  2.00  2.00
assign (resid  82 and name   HA) (resid  86 and name   HN)  3.41  1.71  1.71
assign (resid  82 and name   HA) (resid  85 and name  HG*)  3.35  1.66  1.65
assign (resid  82 and name   HA) (resid  85 and name   HN)  3.35  1.65  1.65
assign (resid  82 and name HG2*) (resid  79 and name   HA)  3.23  1.53  1.52
assign (resid   9 and name   HB) (resid   6 and name   HA)  2.65  0.95  0.96
assign (resid   9 and name HG2*) (resid   6 and name   HA)  3.34  1.64  1.64
assign (resid  23 and name  HB*) (resid  27 and name  HE*)  3.85  2.15  2.15
assign (resid   8 and name  HB*) (resid   5 and name  HD*)  3.85  2.15  2.15
assign (resid  20 and name  HD*) (resid  17 and name   HA)  3.62  1.92  1.92
assign (resid  21 and name   HA) (resid  24 and name  HD*)  3.85  2.15  2.15
assign (resid  78 and name HD1*) (resid  74 and name  HE*)  3.85  2.15  2.15
assign (resid  80 and name  HE*) (resid  77 and name  HD*)  3.85  2.15  2.15
assign (resid  80 and name  HE*) (resid  77 and name  HE*)  3.85  2.15  2.15
assign (resid  72 and name HG1*) (resid  77 and name  HD*)  3.85  2.15  2.15
assign (resid  11 and name HE22) (resid   8 and name   HA)  3.85  2.15  2.15
assign (resid  11 and name HE22) (resid   7 and name  HB*)  3.85  2.15  2.15
assign (resid  11 and name HE21) (resid   7 and name  HB*)  3.85  2.15  2.15
assign (resid  18 and name HD22) (resid  14 and name  HB*)  3.85  2.15  2.15
assign (resid  50 and name HE22) (resid  45 and name  HE*)  3.85  2.15  2.15
assign (resid  58 and name HE21) (resid  61 and name   HB)  3.46  1.76  1.75
class long
assign (resid  21 and name   HN) (resid  74 and name   HZ)  2.92  1.22  1.21
assign (resid  34 and name   HN) (resid  28 and name   HB)  3.85  2.15  2.15
assign (resid  34 and name   HN) (resid  28 and name HG1*)  3.85  2.15  2.15
assign (resid  34 and name   HN) (resid  28 and name HG2*)  3.85  2.15  2.15
assign (resid  35 and name   HN) (resid  28 and name   HB)  3.11  1.41  1.41
assign (resid  35 and name   HN) (resid  28 and name HG1*)  3.38  1.68  1.68
assign (resid  35 and name   HN) (resid  28 and name HG2*)  3.85  2.15  2.15
assign (resid  36 and name   HN) (resid  72 and name   HN)  2.88  1.18  1.17
assign (resid  36 and name   HN) (resid  28 and name HG1*)  3.85  2.15  2.15
assign (resid  36 and name   HN) (resid  72 and name   HB)  2.91  1.21  1.21
assign (resid  36 and name   HN) (resid  71 and name   HB)  2.97  1.27  1.27
assign (resid  36 and name   HN) (resid  73 and name   HA)  3.29  1.59  1.58
assign (resid  38 and name   HN) (resid  71 and name   HA)  2.80  1.10  1.10
assign (resid  42 and name   HN) (resid  57 and name  HD*)  3.44  1.74  1.73
assign (resid  43 and name   HN) (resid  57 and name HD2*)  3.85  2.15  2.15
assign (resid  48 and name   HN) (resid  27 and name  HE*)  3.64  1.94  1.94
assign (resid  58 and name   HN) (resid  38 and name HG2*)  3.85  2.15  2.15
assign (resid  66 and name   HN) (resid  76 and name  HG*)  3.07  1.37  1.37
assign (resid  66 and name   HN) (resid  76 and name  HB*)  3.70  2.00  2.00
assign (resid  72 and name   HN) (resid  36 and name   HB)  2.87  1.17  1.17
assign (resid  72 and name   HN) (resid  37 and name   HA)  2.93  1.23  1.23
assign (resid  72 and name   HN) (resid  35 and name  HB1)  2.85  1.15  1.15
assign (resid  74 and name   HN) (resid  24 and name  HE*)  3.85  2.15  2.15
assign (resid  74 and name   HN) (resid  35 and name   HA)  3.85  2.15  2.15
assign (resid  80 and name   HN) (resid  64 and name HG1*)  3.33  1.64  1.63
assign (resid  23 and name  HB*) (resid  48 and name HD2*)  3.85  2.15  2.15
assign (resid   8 and name  HB*) (resid  82 and name   HB)  3.06  1.36  1.35
assign (resid   8 and name  HB*) (resid  82 and name HG1*)  2.96  1.26  1.26
assign (resid   8 and name  HB*) (resid  82 and name HG2*)  3.62  1.92  1.92
assign (resid  35 and name   HA) (resid  73 and name   HA)  2.79  1.09  1.08
assign (resid  35 and name   HA) (resid  28 and name HG1*)  3.19  1.49  1.48
assign (resid  35 and name   HA) (resid  28 and name HG2*)  3.83  2.13  2.13
assign (resid  35 and name  HB1) (resid  71 and name   HB)  2.81  1.11  1.12
assign (resid  35 and name  HB1) (resid  71 and name HG2*)  3.85  2.15  2.15
assign (resid  35 and name  HB2) (resid  71 and name   HB)  2.80  1.10  1.10
assign (resid  35 and name  HB2) (resid  71 and name HG2*)  3.39  1.69  1.69
assign (resid  20 and name  HB*) (resid  78 and name HD2*)  3.85  2.15  2.15
assign (resid  24 and name   HA) (resid  36 and name HD1*)  3.85  2.15  2.15
assign (resid  27 and name  HB2) (resid  36 and name HG2*)  3.85  2.15  2.15
assign (resid  27 and name  HB1) (resid  36 and name HD1*)  3.32  1.62  1.62
assign (resid  27 and name  HB1) (resid  36 and name HG2*)  3.85  2.15  2.15
assign (resid  34 and name  HA*) (resid  28 and name HG1*)  3.40  1.70  1.70
assign (resid  34 and name  HA*) (resid  28 and name HG2*)  2.92  1.22  1.21
assign (resid  34 and name  HA*) (resid  28 and name   HB)  2.23  0.53  0.54
assign (resid  42 and name  HA*) (resid  57 and name  HD*)  2.33  0.63  0.62
assign (resid  42 and name  HA*) (resid  52 and name  HG*)  2.73  1.03  1.02
assign (resid  36 and name   HB) (resid  72 and name   HB)  2.17  0.47  0.47
assign (resid  36 and name HD1*) (resid  27 and name  HB2)  2.90  1.20  1.20
assign (resid  36 and name HD1*) (resid  28 and name HG1*)  3.85  2.15  2.15
assign (resid  36 and name HD1*) (resid  72 and name   HB)  3.52  1.82  1.82
assign (resid  36 and name HD1*) (resid  72 and name HG1*)  3.85  2.15  2.15
assign (resid  36 and name HG1*) (resid  28 and name HG1*)  3.08  1.38  1.38
assign (resid  36 and name HG2*) (resid  27 and name   HN)  3.11  1.41  1.41
assign (resid  36 and name HG2*) (resid  28 and name   HA)  3.85  2.15  2.15
assign (resid  36 and name HG2*) (resid  72 and name   HB)  3.19  1.49  1.48
assign (resid  61 and name HD1*) (resid  38 and name   HB)  3.85  2.15  2.15
assign (resid  61 and name HD1*) (resid  38 and name HG2*)  3.85  2.15  2.15
assign (resid  61 and name HG2*) (resid  38 and name   HB)  3.02  1.32  1.32
assign (resid  17 and name   HA) (resid  78 and name HD2*)  3.85  2.15  2.15
assign (resid  41 and name HD2*) (resid  72 and name   HB)  3.85  2.15  2.15
assign (resid  57 and name HD2*) (resid  42 and name  HA*)  3.75  2.04  2.04
assign (resid  57 and name HD2*) (resid  38 and name   HB)  3.85  2.15  2.15
assign (resid  78 and name HD1*) (resid  17 and name  HG*)  3.85  2.15  2.15
assign (resid  45 and name  HB*) (resid  52 and name  HD*)  2.81  1.11  1.12
assign (resid  45 and name  HE*) (resid  52 and name  HD*)  3.85  2.15  2.15
assign (resid  47 and name  HE*) (resid  23 and name   HA)  3.85  2.15  2.15
assign (resid  47 and name  HE*) (resid  26 and name   HB)  3.63  1.93  1.93
assign (resid  47 and name  HE*) (resid  26 and name HD1*)  3.85  2.15  2.15
assign (resid  80 and name   HA) (resid  64 and name   HB)  2.67  0.97  0.98
assign (resid  80 and name   HA) (resid  64 and name HG1*)  3.02  1.32  1.32
assign (resid  80 and name  HB*) (resid  64 and name HG1*)  3.06  1.36  1.36
assign (resid  80 and name  HE*) (resid  61 and name   HA)  3.85  2.15  2.15
assign (resid  80 and name  HE*) (resid  61 and name HG1*)  3.83  2.13  2.13
assign (resid  80 and name  HE*) (resid  60 and name  HB*)  3.33  1.63  1.63
assign (resid  80 and name  HE*) (resid  72 and name HG1*)  3.85  2.15  2.15
assign (resid  80 and name  HG*) (resid  64 and name HG1*)  3.12  1.42  1.42
assign (resid  81 and name  HE*) (resid  48 and name HD1*)  3.85  2.15  2.15
assign (resid  81 and name  HE*) (resid  44 and name HG1*)  3.85  2.15  2.15
assign (resid  85 and name  HE*) (resid  20 and name   HZ)  3.85  2.15  2.15
assign (resid  85 and name  HE*) (resid  12 and name  HD*)  3.29  1.59  1.59
assign (resid  85 and name  HE*) (resid  50 and name HE21)  3.85  2.15  2.15
assign (resid  52 and name  HD*) (resid  46 and name  HG*)  3.22  1.52  1.52
assign (resid  58 and name   HA) (resid  38 and name HG2*)  3.85  2.15  2.15
assign (resid  83 and name  HD*) (resid  64 and name HG1*)  3.85  2.15  2.15
assign (resid  37 and name  HB*) (resid  71 and name HG2*)  3.52  1.82  1.82
assign (resid  71 and name   HA) (resid  61 and name HG2*)  3.44  1.74  1.74
assign (resid  71 and name   HA) (resid  37 and name   HA)  2.86  1.16  1.16
assign (resid  28 and name HG1*) (resid  35 and name  HB2)  3.85  2.15  2.15
assign (resid  28 and name HG1*) (resid  36 and name   HA)  3.12  1.42  1.42
assign (resid  64 and name HG1*) (resid  80 and name  HE*)  3.85  2.15  2.15
assign (resid  72 and name HG2*) (resid  36 and name   HB)  3.85  2.15  2.15
assign (resid  72 and name HG1*) (resid  36 and name   HB)  3.36  1.66  1.66
assign (resid  72 and name HG1*) (resid  61 and name HG1*)  3.04  1.34  1.33
assign (resid  79 and name   HB) (resid  64 and name HG1*)  2.98  1.28  1.28
assign (resid  79 and name HG1*) (resid   5 and name  HB2)  3.85  2.15  2.15
assign (resid  79 and name HG1*) (resid   5 and name  HB1)  3.81  2.11  2.10
assign (resid  82 and name   HA) (resid  12 and name HD2*)  3.85  2.15  2.15
assign (resid  82 and name HG1*) (resid   9 and name   HA)  3.06  1.36  1.35
assign (resid  82 and name HG1*) (resid   5 and name   HA)  3.81  2.11  2.11
assign (resid  82 and name HG2*) (resid   9 and name   HA)  3.77  2.07  2.06
assign (resid  82 and name HG2*) (resid   5 and name   HA)  3.85  2.15  2.15
assign (resid  82 and name HG2*) (resid   5 and name  HB1)  3.85  2.15  2.15
assign (resid   9 and name HG1*) (resid  78 and name HD1*)  3.43  1.73  1.73
assign (resid   9 and name HG1*) (resid  79 and name   HA)  3.40  1.70  1.69
assign (resid  20 and name  HD*) (resid  78 and name HD2*)  3.85  2.15  2.15
assign (resid  24 and name  HB2) (resid  74 and name  HD*)  3.85  2.15  2.15
assign (resid  24 and name  HB1) (resid  74 and name  HD*)  3.85  2.15  2.15
assign (resid  27 and name  HD*) (resid  44 and name HG1*)  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  77 and name  HD*)  3.85  2.15  2.15
assign (resid  36 and name HD1*) (resid  77 and name  HE*)  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*)  3.23  1.53  1.53
assign (resid  48 and name HD1*) (resid  27 and name  HE*)  3.85  2.15  2.15
assign (resid  48 and name HD2*) (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  85 and name  HE*) (resid  20 and name  HE*)  3.85  2.15  2.15
assign (resid  83 and name   HA) (resid   5 and name  HD*)  3.85  2.15  2.15
assign (resid  83 and name   HA) (resid   5 and name  HE*)  3.72  2.02  2.02
assign (resid  44 and name HG1*) (resid  27 and name  HE*)  3.85  2.15  2.15
assign (resid  44 and name HG2*) (resid  27 and name  HD*)  3.85  2.15  2.15
assign (resid  82 and name HG1*) (resid   5 and name  HD*)  3.85  2.15  2.15
assign (resid  82 and name HG2*) (resid   5 and name  HD*)  3.85  2.15  2.15
assign (resid   5 and name  HE*) (resid  82 and name HG1*)  3.85  2.15  2.15


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1           HT3      MET   1  76.744  -0.561  17.077
    2   2H    MET   1           HT2      MET   1  75.194  -0.093  16.563
    3   3H    MET   1           HT1      MET   1  75.699  -1.706  16.389
    4    HA   MET   1           HA       MET   1  76.085  -1.018  14.261
    5   1HB   MET   1           HB2      MET   1  76.249   1.613  15.701
    6   2HB   MET   1           HB1      MET   1  76.877   1.499  14.056
    7   1HG   MET   1           HG2      MET   1  74.085   0.652  14.883
    8   2HG   MET   1           HG1      MET   1  74.477   2.198  14.130
    9   1HE   MET   1           HE2      MET   1  73.689  -1.197  14.074
   10   2HE   MET   1           HE1      MET   1  72.574  -0.695  12.805
   11   3HE   MET   1           HE3      MET   1  73.859  -1.857  12.449
   12    H    ASP   2           HN       ASP   2  77.903  -2.534  14.661
   13    HA   ASP   2           HA       ASP   2  80.465  -1.612  15.644
   14   1HB   ASP   2           HB2      ASP   2  79.254  -4.001  15.196
   15   2HB   ASP   2           HB1      ASP   2  80.285  -3.909  13.768
   16    H    ASP   3           HN       ASP   3  82.376  -2.263  13.877
   17    HA   ASP   3           HA       ASP   3  82.041  -0.245  11.726
   18   1HB   ASP   3           HB2      ASP   3  84.083  -1.087  13.494
   19   2HB   ASP   3           HB1      ASP   3  84.624  -1.535  11.876
   20    H    ILE   4           HN       ILE   4  81.048  -3.244  11.820
   21    HA   ILE   4           HA       ILE   4  82.494  -4.457   9.567
   22    HB   ILE   4           HB       ILE   4  79.963  -5.179  11.083
   23   1HG1  ILE   4          HG12      ILE   4  82.718  -6.419  11.282
   24   2HG1  ILE   4          HG11      ILE   4  82.200  -5.095  12.327
   25   1HG2  ILE   4          HG21      ILE   4  81.527  -6.558   8.914
   26   2HG2  ILE   4          HG23      ILE   4  80.661  -7.511  10.121
   27   3HG2  ILE   4          HG22      ILE   4  79.780  -6.387   9.084
   28   1HD1  ILE   4          HD12      ILE   4  80.722  -7.726  12.038
   29   2HD1  ILE   4          HD11      ILE   4  81.828  -7.343  13.357
   30   3HD1  ILE   4          HD13      ILE   4  80.335  -6.423  13.162
   31    H    TYR   5           HN       TYR   5  79.078  -3.477  10.088
   32    HA   TYR   5           HA       TYR   5  78.273  -3.694   7.363
   33   1HB   TYR   5           HB2      TYR   5  77.337  -2.197   9.806
   34   2HB   TYR   5           HB1      TYR   5  76.506  -1.984   8.263
   35    HD1  TYR   5           HD2      TYR   5  77.410  -4.418  10.900
   36    HD2  TYR   5           HD1      TYR   5  75.201  -3.763   7.274
   37    HE1  TYR   5           HE2      TYR   5  76.203  -6.557  11.248
   38    HE2  TYR   5           HE1      TYR   5  73.995  -5.901   7.622
   39    HH   TYR   5           HH       TYR   5  74.151  -7.928   8.787
   40    H    LYS   6           HN       LYS   6  79.423  -0.849   9.212
   41    HA   LYS   6           HA       LYS   6  79.160   1.185   7.338
   42   1HB   LYS   6           HB2      LYS   6  80.804   0.526   9.630
   43   2HB   LYS   6           HB1      LYS   6  81.748   1.434   8.448
   44   1HG   LYS   6           HG2      LYS   6  79.139   2.613   8.638
   45   2HG   LYS   6           HG1      LYS   6  79.803   2.441  10.264
   46   1HD   LYS   6           HD2      LYS   6  80.424   4.603   9.127
   47   2HD   LYS   6           HD1      LYS   6  81.808   3.640   9.646
   48   1HE   LYS   6           HE2      LYS   6  82.567   3.628   7.514
   49   2HE   LYS   6           HE1      LYS   6  81.090   2.784   7.008
   50   1HZ   LYS   6           HZ2      LYS   6  81.170   5.701   7.530
   51   2HZ   LYS   6           HZ1      LYS   6  81.449   5.046   5.987
   52   3HZ   LYS   6           HZ3      LYS   6  79.950   4.814   6.747
   53    H    ALA   7           HN       ALA   7  81.649  -1.358   7.423
   54    HA   ALA   7           HA       ALA   7  83.068  -0.324   5.083
   55   1HB   ALA   7           HB2      ALA   7  83.184  -2.644   6.961
   56   2HB   ALA   7           HB1      ALA   7  83.977  -2.832   5.397
   57   3HB   ALA   7           HB3      ALA   7  84.463  -1.528   6.480
   58    H    ALA   8           HN       ALA   8  80.427  -2.537   5.693
   59    HA   ALA   8           HA       ALA   8  80.526  -4.034   3.240
   60   1HB   ALA   8           HB1      ALA   8  79.224  -4.371   5.473
   61   2HB   ALA   8           HB3      ALA   8  78.023  -3.295   4.758
   62   3HB   ALA   8           HB2      ALA   8  78.419  -4.824   3.970
   63    H    VAL   9           HN       VAL   9  79.072  -0.923   4.125
   64    HA   VAL   9           HA       VAL   9  77.599  -0.611   1.632
   65    HB   VAL   9           HB       VAL   9  78.477   1.294   3.826
   66   1HG1  VAL   9          HG12      VAL   9  77.653   2.021   1.309
   67   2HG1  VAL   9          HG11      VAL   9  76.122   1.959   2.182
   68   3HG1  VAL   9          HG13      VAL   9  77.424   3.001   2.758
   69   1HG2  VAL   9          HG22      VAL   9  75.949  -0.281   3.274
   70   2HG2  VAL   9          HG21      VAL   9  76.981  -0.362   4.702
   71   3HG2  VAL   9          HG23      VAL   9  75.998   1.072   4.405
   72    H    GLU  10           HN       GLU  10  80.820   0.219   2.790
   73    HA   GLU  10           HA       GLU  10  81.418   1.983   0.520
   74   1HB   GLU  10           HB2      GLU  10  82.734   0.933   2.985
   75   2HB   GLU  10           HB1      GLU  10  83.792   1.479   1.684
   76   1HG   GLU  10           HG2      GLU  10  83.028   3.678   1.801
   77   2HG   GLU  10           HG1      GLU  10  81.489   3.210   2.524
   78    H    GLN  11           HN       GLN  11  82.055  -1.373   1.477
   79    HA   GLN  11           HA       GLN  11  83.999  -2.094  -0.442
   80   1HB   GLN  11           HB2      GLN  11  82.127  -3.315   1.385
   81   2HB   GLN  11           HB1      GLN  11  82.169  -4.236  -0.118
   82   1HG   GLN  11           HG2      GLN  11  84.190  -5.080   0.395
   83   2HG   GLN  11           HG1      GLN  11  84.847  -3.460   0.637
   84   1HE2  GLN  11          HE22      GLN  11  84.955  -3.865   4.123
   85   2HE2  GLN  11          HE21      GLN  11  85.561  -3.097   2.736
   86    H    LEU  12           HN       LEU  12  80.550  -1.523  -0.814
   87    HA   LEU  12           HA       LEU  12  79.847  -2.866  -3.133
   88   1HB   LEU  12           HB2      LEU  12  79.347   0.011  -2.304
   89   2HB   LEU  12           HB1      LEU  12  78.445  -0.812  -3.578
   90    HG   LEU  12           HG       LEU  12  78.643  -1.770  -0.708
   91   1HD1  LEU  12          HD13      LEU  12  76.816   0.089  -2.102
   92   2HD1  LEU  12          HD12      LEU  12  76.014  -1.179  -1.174
   93   3HD1  LEU  12          HD11      LEU  12  77.144  -0.086  -0.377
   94   1HD2  LEU  12          HD23      LEU  12  77.776  -2.996  -3.190
   95   2HD2  LEU  12          HD22      LEU  12  77.919  -3.718  -1.588
   96   3HD2  LEU  12          HD21      LEU  12  76.435  -2.886  -2.051
   97    H    THR  13           HN       THR  13  79.985  -2.304  -5.419
   98    HA   THR  13           HA       THR  13  82.592  -1.159  -6.161
   99    HB   THR  13           HB       THR  13  81.603  -1.824  -8.479
  100    HG1  THR  13           HG1      THR  13  79.903  -3.528  -7.181
  101   1HG2  THR  13          HG23      THR  13  82.633  -3.401  -6.258
  102   2HG2  THR  13          HG22      THR  13  81.630  -4.370  -7.337
  103   3HG2  THR  13          HG21      THR  13  83.025  -3.498  -7.975
  104    H    GLU  14           HN       GLU  14  82.766   0.593  -7.758
  105    HA   GLU  14           HA       GLU  14  81.155   2.881  -7.188
  106   1HB   GLU  14           HB2      GLU  14  83.486   2.860  -8.057
  107   2HB   GLU  14           HB1      GLU  14  82.890   2.232  -9.594
  108   1HG   GLU  14           HG2      GLU  14  81.269   4.434  -9.156
  109   2HG   GLU  14           HG1      GLU  14  82.838   4.973  -8.557
  110    H    GLU  15           HN       GLU  15  80.838   0.311  -9.564
  111    HA   GLU  15           HA       GLU  15  78.879   1.713 -11.220
  112   1HB   GLU  15           HB2      GLU  15  78.777  -0.454 -12.351
  113   2HB   GLU  15           HB1      GLU  15  80.460  -0.076 -11.984
  114   1HG   GLU  15           HG2      GLU  15  80.513  -1.582 -10.149
  115   2HG   GLU  15           HG1      GLU  15  78.754  -1.713 -10.106
  116    H    GLN  16           HN       GLN  16  78.799  -0.210  -8.320
  117    HA   GLN  16           HA       GLN  16  76.072  -1.147  -8.501
  118   1HB   GLN  16           HB2      GLN  16  77.730  -2.156  -7.033
  119   2HB   GLN  16           HB1      GLN  16  77.971  -0.623  -6.193
  120   1HG   GLN  16           HG2      GLN  16  76.487  -1.655  -4.741
  121   2HG   GLN  16           HG1      GLN  16  75.356  -0.808  -5.795
  122   1HE2  GLN  16          HE21      GLN  16  74.161  -2.915  -4.671
  123   2HE2  GLN  16          HE22      GLN  16  74.087  -4.260  -5.704
  124    H    LYS  17           HN       LYS  17  77.558   1.623  -6.778
  125    HA   LYS  17           HA       LYS  17  74.979   2.685  -5.922
  126   1HB   LYS  17           HB2      LYS  17  77.873   3.502  -5.869
  127   2HB   LYS  17           HB1      LYS  17  76.634   4.683  -5.444
  128   1HG   LYS  17           HG2      LYS  17  76.472   3.774  -3.394
  129   2HG   LYS  17           HG1      LYS  17  75.995   2.238  -4.118
  130   1HD   LYS  17           HD2      LYS  17  77.979   1.333  -3.573
  131   2HD   LYS  17           HD1      LYS  17  78.822   2.593  -4.476
  132   1HE   LYS  17           HE2      LYS  17  77.727   3.194  -1.731
  133   2HE   LYS  17           HE1      LYS  17  79.302   2.398  -1.916
  134   1HZ   LYS  17           HZ3      LYS  17  78.603   4.775  -3.523
  135   2HZ   LYS  17           HZ2      LYS  17  79.240   4.950  -1.957
  136   3HZ   LYS  17           HZ1      LYS  17  80.140   4.155  -3.159
  137    H    ASN  18           HN       ASN  18  76.965   2.965  -8.759
  138    HA   ASN  18           HA       ASN  18  76.049   5.545  -9.681
  139   1HB   ASN  18           HB2      ASN  18  77.775   3.391 -10.474
  140   2HB   ASN  18           HB1      ASN  18  76.734   3.804 -11.837
  141   1HD2  ASN  18          HD22      ASN  18  79.832   6.106 -11.408
  142   2HD2  ASN  18          HD21      ASN  18  79.716   4.436 -11.123
  143    H    GLU  19           HN       GLU  19  75.054   2.196 -10.477
  144    HA   GLU  19           HA       GLU  19  72.868   3.059 -12.197
  145   1HB   GLU  19           HB2      GLU  19  73.412   0.398 -10.841
  146   2HB   GLU  19           HB1      GLU  19  72.419   0.659 -12.275
  147   1HG   GLU  19           HG2      GLU  19  75.412   1.040 -12.014
  148   2HG   GLU  19           HG1      GLU  19  74.562  -0.110 -13.047
  149    H    PHE  20           HN       PHE  20  73.125   1.858  -8.847
  150    HA   PHE  20           HA       PHE  20  70.301   1.782  -8.309
  151   1HB   PHE  20           HB2      PHE  20  72.861   1.884  -6.734
  152   2HB   PHE  20           HB1      PHE  20  71.319   2.022  -5.889
  153    HD1  PHE  20           HD1      PHE  20  72.842  -0.054  -8.629
  154    HD2  PHE  20           HD2      PHE  20  70.369   0.046  -5.117
  155    HE1  PHE  20           HE1      PHE  20  72.546  -2.513  -8.768
  156    HE2  PHE  20           HE2      PHE  20  70.073  -2.413  -5.256
  157    HZ   PHE  20           HZ       PHE  20  71.161  -3.693  -7.081
  158    H    LYS  21           HN       LYS  21  72.745   4.340  -8.087
  159    HA   LYS  21           HA       LYS  21  71.326   6.249  -6.548
  160   1HB   LYS  21           HB2      LYS  21  73.666   6.480  -7.176
  161   2HB   LYS  21           HB1      LYS  21  73.241   6.521  -8.887
  162   1HG   LYS  21           HG2      LYS  21  72.227   8.652  -8.704
  163   2HG   LYS  21           HG1      LYS  21  72.131   8.548  -6.945
  164   1HD   LYS  21           HD2      LYS  21  74.715   8.430  -7.009
  165   2HD   LYS  21           HD1      LYS  21  74.564   9.016  -8.665
  166   1HE   LYS  21           HE2      LYS  21  73.565  10.399  -6.149
  167   2HE   LYS  21           HE1      LYS  21  74.835  10.964  -7.253
  168   1HZ   LYS  21           HZ2      LYS  21  73.061  10.735  -9.047
  169   2HZ   LYS  21           HZ1      LYS  21  71.936  10.690  -7.775
  170   3HZ   LYS  21           HZ3      LYS  21  72.920  12.055  -7.988
  171    H    ALA  22           HN       ALA  22  70.967   5.275  -9.911
  172    HA   ALA  22           HA       ALA  22  69.334   7.513 -10.755
  173   1HB   ALA  22           HB1      ALA  22  70.661   5.434 -11.929
  174   2HB   ALA  22           HB3      ALA  22  68.997   4.856 -12.025
  175   3HB   ALA  22           HB2      ALA  22  69.437   6.400 -12.755
  176    H    ALA  23           HN       ALA  23  68.419   4.094 -10.138
  177    HA   ALA  23           HA       ALA  23  65.627   4.398 -10.167
  178   1HB   ALA  23           HB3      ALA  23  67.611   2.495  -9.374
  179   2HB   ALA  23           HB2      ALA  23  66.399   2.574  -8.095
  180   3HB   ALA  23           HB1      ALA  23  65.914   2.197  -9.747
  181    H    PHE  24           HN       PHE  24  67.853   4.769  -7.394
  182    HA   PHE  24           HA       PHE  24  66.098   5.235  -5.297
  183   1HB   PHE  24           HB2      PHE  24  68.453   5.232  -4.934
  184   2HB   PHE  24           HB1      PHE  24  68.715   6.510  -6.120
  185    HD1  PHE  24           HD1      PHE  24  67.940   8.847  -5.627
  186    HD2  PHE  24           HD2      PHE  24  67.870   5.733  -2.670
  187    HE1  PHE  24           HE1      PHE  24  67.722  10.551  -3.839
  188    HE2  PHE  24           HE2      PHE  24  67.651   7.436  -0.882
  189    HZ   PHE  24           HZ       PHE  24  67.576   9.846  -1.466
  190    H    ASP  25           HN       ASP  25  67.161   7.626  -7.738
  191    HA   ASP  25           HA       ASP  25  65.675   9.845  -6.688
  192   1HB   ASP  25           HB2      ASP  25  67.307   9.117  -8.971
  193   2HB   ASP  25           HB1      ASP  25  65.935  10.100  -9.485
  194    H    ILE  26           HN       ILE  26  64.692   7.033  -8.449
  195    HA   ILE  26           HA       ILE  26  62.334   8.146  -9.719
  196    HB   ILE  26           HB       ILE  26  63.055   5.308  -8.918
  197   1HG1  ILE  26          HG12      ILE  26  64.772   6.582 -10.304
  198   2HG1  ILE  26          HG11      ILE  26  64.138   5.118 -11.056
  199   1HG2  ILE  26          HG23      ILE  26  61.014   6.535 -10.753
  200   2HG2  ILE  26          HG22      ILE  26  61.660   4.931 -11.098
  201   3HG2  ILE  26          HG21      ILE  26  60.812   5.233  -9.582
  202   1HD1  ILE  26          HD12      ILE  26  62.513   6.478 -12.329
  203   2HD1  ILE  26          HD11      ILE  26  63.165   7.940 -11.589
  204   3HD1  ILE  26          HD13      ILE  26  64.170   6.977 -12.672
  205    H    PHE  27           HN       PHE  27  62.947   6.438  -6.646
  206    HA   PHE  27           HA       PHE  27  60.140   6.313  -5.902
  207   1HB   PHE  27           HB2      PHE  27  62.534   6.187  -4.060
  208   2HB   PHE  27           HB1      PHE  27  61.004   5.318  -3.926
  209    HD1  PHE  27           HD2      PHE  27  60.447   3.967  -6.268
  210    HD2  PHE  27           HD1      PHE  27  64.342   4.864  -4.694
  211    HE1  PHE  27           HE2      PHE  27  61.405   2.080  -7.561
  212    HE2  PHE  27           HE1      PHE  27  65.298   2.977  -5.988
  213    HZ   PHE  27           HZ       PHE  27  63.831   1.586  -7.422
  214    H    VAL  28           HN       VAL  28  62.843   8.525  -5.224
  215    HA   VAL  28           HA       VAL  28  61.352  10.138  -3.310
  216    HB   VAL  28           HB       VAL  28  63.348  11.491  -3.381
  217   1HG1  VAL  28          HG11      VAL  28  63.382   8.800  -2.846
  218   2HG1  VAL  28          HG13      VAL  28  64.698   8.951  -4.011
  219   3HG1  VAL  28          HG12      VAL  28  64.723   9.899  -2.524
  220   1HG2  VAL  28          HG21      VAL  28  63.808  10.111  -6.033
  221   2HG2  VAL  28          HG23      VAL  28  63.624  11.840  -5.736
  222   3HG2  VAL  28          HG22      VAL  28  65.078  11.001  -5.193
  223    H    LEU  29           HN       LEU  29  61.408   9.867  -6.722
  224    HA   LEU  29           HA       LEU  29  61.043  12.462  -7.708
  225   1HB   LEU  29           HB2      LEU  29  61.156  10.650  -9.220
  226   2HB   LEU  29           HB1      LEU  29  59.896   9.752  -8.373
  227    HG   LEU  29           HG       LEU  29  58.972  12.361  -9.321
  228   1HD1  LEU  29          HD11      LEU  29  60.447  10.565 -11.148
  229   2HD1  LEU  29          HD13      LEU  29  58.849  11.048 -11.716
  230   3HD1  LEU  29          HD12      LEU  29  60.054  12.276 -11.325
  231   1HD2  LEU  29          HD23      LEU  29  58.091   9.564  -9.060
  232   2HD2  LEU  29          HD22      LEU  29  57.165  11.054  -8.882
  233   3HD2  LEU  29          HD21      LEU  29  57.453  10.381 -10.487
  234    H    GLY  30           HN       GLY  30  58.946  10.613  -5.632
  235   1HA   GLY  30           HA2      GLY  30  56.760  12.609  -6.032
  236   2HA   GLY  30           HA1      GLY  30  56.525  10.993  -5.362
  237    H    ALA  31           HN       ALA  31  59.009  11.249  -3.716
  238    HA   ALA  31           HA       ALA  31  57.949  12.032  -1.249
  239   1HB   ALA  31           HB2      ALA  31  60.152  10.852  -1.904
  240   2HB   ALA  31           HB1      ALA  31  60.828  12.474  -2.072
  241   3HB   ALA  31           HB3      ALA  31  60.213  11.931  -0.510
  242    H    GLU  32           HN       GLU  32  58.725  14.007   0.066
  243    HA   GLU  32           HA       GLU  32  58.265  16.451  -1.569
  244   1HB   GLU  32           HB2      GLU  32  57.622  17.420   0.551
  245   2HB   GLU  32           HB1      GLU  32  56.901  15.812   0.471
  246   1HG   GLU  32           HG2      GLU  32  58.858  14.924   1.755
  247   2HG   GLU  32           HG1      GLU  32  59.442  16.580   1.934
  248    H    ASP  33           HN       ASP  33  60.714  14.866   0.383
  249    HA   ASP  33           HA       ASP  33  62.446  17.298   0.261
  250   1HB   ASP  33           HB2      ASP  33  63.627  16.274   2.071
  251   2HB   ASP  33           HB1      ASP  33  61.921  15.968   2.398
  252    H    GLY  34           HN       GLY  34  62.302  13.878  -0.681
  253   1HA   GLY  34           HA2      GLY  34  63.359  13.477  -2.969
  254   2HA   GLY  34           HA1      GLY  34  64.774  14.301  -2.309
  255    H    CYS  35           HN       CYS  35  62.690  11.987  -0.619
  256    HA   CYS  35           HA       CYS  35  65.023  10.102  -0.501
  257   1HB   CYS  35           HB2      CYS  35  63.682  11.598   1.539
  258   2HB   CYS  35           HB1      CYS  35  63.336   9.889   1.800
  259    HG   CYS  35           HG       CYS  35  65.639  10.479   2.950
  260    H    ILE  36           HN       ILE  36  64.327   7.820  -0.074
  261    HA   ILE  36           HA       ILE  36  61.853   7.194  -1.579
  262    HB   ILE  36           HB       ILE  36  63.811   5.245  -0.348
  263   1HG1  ILE  36          HG12      ILE  36  64.145   6.846  -2.906
  264   2HG1  ILE  36          HG11      ILE  36  65.179   6.931  -1.480
  265   1HG2  ILE  36          HG21      ILE  36  61.585   5.129  -2.169
  266   2HG2  ILE  36          HG23      ILE  36  63.051   4.626  -3.012
  267   3HG2  ILE  36          HG22      ILE  36  62.556   3.800  -1.534
  268   1HD1  ILE  36          HD13      ILE  36  64.729   4.316  -2.910
  269   2HD1  ILE  36          HD12      ILE  36  65.966   5.448  -3.456
  270   3HD1  ILE  36          HD11      ILE  36  66.048   4.767  -1.832
  271    H    SER  37           HN       SER  37  59.996   7.151  -0.363
  272    HA   SER  37           HA       SER  37  59.998   6.723   2.513
  273   1HB   SER  37           HB2      SER  37  58.395   7.955   0.705
  274   2HB   SER  37           HB1      SER  37  57.513   6.445   0.909
  275    HG   SER  37           HG       SER  37  57.579   6.837   3.176
  276    H    THR  38           HN       THR  38  59.296   4.872   3.639
  277    HA   THR  38           HA       THR  38  59.778   2.301   2.482
  278    HB   THR  38           HB       THR  38  58.973   1.513   4.640
  279    HG1  THR  38           HG1      THR  38  57.072   2.840   4.615
  280   1HG2  THR  38          HG22      THR  38  61.013   3.289   4.320
  281   2HG2  THR  38          HG21      THR  38  60.037   4.124   5.528
  282   3HG2  THR  38          HG23      THR  38  60.633   2.496   5.848
  283    H    LYS  39           HN       LYS  39  56.846   4.234   2.826
  284    HA   LYS  39           HA       LYS  39  54.837   2.301   2.441
  285   1HB   LYS  39           HB2      LYS  39  55.256   5.198   1.917
  286   2HB   LYS  39           HB1      LYS  39  53.888   4.451   1.091
  287   1HG   LYS  39           HG2      LYS  39  54.401   4.180   4.065
  288   2HG   LYS  39           HG1      LYS  39  53.330   5.394   3.365
  289   1HD   LYS  39           HD2      LYS  39  52.223   3.352   2.160
  290   2HD   LYS  39           HD1      LYS  39  53.008   2.406   3.425
  291   1HE   LYS  39           HE2      LYS  39  51.272   4.818   4.036
  292   2HE   LYS  39           HE1      LYS  39  50.643   3.158   3.991
  293   1HZ   LYS  39           HZ1      LYS  39  52.656   2.634   5.467
  294   2HZ   LYS  39           HZ3      LYS  39  52.702   4.301   5.774
  295   3HZ   LYS  39           HZ2      LYS  39  51.321   3.402   6.185
  296    H    GLU  40           HN       GLU  40  56.829   3.968  -0.012
  297    HA   GLU  40           HA       GLU  40  55.514   2.445  -2.186
  298   1HB   GLU  40           HB2      GLU  40  57.832   4.391  -2.298
  299   2HB   GLU  40           HB1      GLU  40  56.720   3.970  -3.601
  300   1HG   GLU  40           HG2      GLU  40  55.174   4.858  -1.364
  301   2HG   GLU  40           HG1      GLU  40  56.442   6.047  -1.663
  302    H    LEU  41           HN       LEU  41  58.165   2.040  -0.082
  303    HA   LEU  41           HA       LEU  41  60.267   0.971  -1.524
  304   1HB   LEU  41           HB2      LEU  41  59.731   1.120   1.029
  305   2HB   LEU  41           HB1      LEU  41  59.085  -0.508   0.821
  306    HG   LEU  41           HG       LEU  41  61.490  -0.501   1.509
  307   1HD1  LEU  41          HD12      LEU  41  60.250  -2.135  -0.250
  308   2HD1  LEU  41          HD11      LEU  41  61.546  -1.528  -1.282
  309   3HD1  LEU  41          HD13      LEU  41  61.934  -2.352   0.228
  310   1HD2  LEU  41          HD23      LEU  41  61.827   1.639  -0.019
  311   2HD2  LEU  41          HD22      LEU  41  63.151   0.501   0.224
  312   3HD2  LEU  41          HD21      LEU  41  62.190   0.435  -1.253
  313    H    GLY  42           HN       GLY  42  57.304  -0.836  -0.598
  314   1HA   GLY  42           HA2      GLY  42  57.875  -3.307  -1.748
  315   2HA   GLY  42           HA1      GLY  42  56.249  -2.617  -1.733
  316    H    LYS  43           HN       LYS  43  56.181  -0.635  -3.448
  317    HA   LYS  43           HA       LYS  43  56.333  -1.808  -6.051
  318   1HB   LYS  43           HB2      LYS  43  55.686   0.751  -4.765
  319   2HB   LYS  43           HB1      LYS  43  56.357   0.951  -6.384
  320   1HG   LYS  43           HG2      LYS  43  54.619  -1.133  -6.770
  321   2HG   LYS  43           HG1      LYS  43  53.766  -0.183  -5.552
  322   1HD   LYS  43           HD2      LYS  43  54.953   1.490  -7.634
  323   2HD   LYS  43           HD1      LYS  43  53.793   0.332  -8.284
  324   1HE   LYS  43           HE2      LYS  43  53.022   1.821  -5.802
  325   2HE   LYS  43           HE1      LYS  43  52.964   2.685  -7.350
  326   1HZ   LYS  43           HZ2      LYS  43  51.694   0.854  -8.287
  327   2HZ   LYS  43           HZ1      LYS  43  51.725   0.041  -6.795
  328   3HZ   LYS  43           HZ3      LYS  43  50.887   1.509  -6.944
  329    H    VAL  44           HN       VAL  44  58.571   0.228  -4.214
  330    HA   VAL  44           HA       VAL  44  60.402   0.881  -6.304
  331    HB   VAL  44           HB       VAL  44  60.692   0.452  -3.315
  332   1HG1  VAL  44          HG13      VAL  44  62.776   0.547  -5.122
  333   2HG1  VAL  44          HG12      VAL  44  62.604   2.237  -4.647
  334   3HG1  VAL  44          HG11      VAL  44  62.886   0.999  -3.422
  335   1HG2  VAL  44          HG21      VAL  44  59.720   2.607  -5.057
  336   2HG2  VAL  44          HG23      VAL  44  59.473   2.365  -3.328
  337   3HG2  VAL  44          HG22      VAL  44  60.945   3.143  -3.908
  338    H    MET  45           HN       MET  45  60.312  -1.875  -4.033
  339    HA   MET  45           HA       MET  45  62.698  -3.130  -5.153
  340   1HB   MET  45           HB2      MET  45  60.568  -3.723  -3.130
  341   2HB   MET  45           HB1      MET  45  61.563  -5.061  -3.708
  342   1HG   MET  45           HG2      MET  45  63.152  -2.688  -3.087
  343   2HG   MET  45           HG1      MET  45  62.255  -3.279  -1.689
  344   1HE   MET  45           HE1      MET  45  65.113  -2.878  -2.701
  345   2HE   MET  45           HE3      MET  45  66.100  -4.199  -2.060
  346   3HE   MET  45           HE2      MET  45  65.704  -4.143  -3.776
  347    H    ARG  46           HN       ARG  46  59.182  -3.620  -5.448
  348    HA   ARG  46           HA       ARG  46  59.058  -6.002  -6.897
  349   1HB   ARG  46           HB2      ARG  46  57.515  -3.426  -6.862
  350   2HB   ARG  46           HB1      ARG  46  57.074  -4.669  -8.034
  351   1HG   ARG  46           HG2      ARG  46  57.482  -5.930  -5.494
  352   2HG   ARG  46           HG1      ARG  46  56.400  -4.557  -5.267
  353   1HD   ARG  46           HD2      ARG  46  56.013  -6.622  -7.459
  354   2HD   ARG  46           HD1      ARG  46  55.201  -6.700  -5.883
  355    HE   ARG  46           HE       ARG  46  54.304  -4.382  -6.416
  356   1HH1  ARG  46          HH11      ARG  46  55.205  -3.222  -8.667
  357   2HH1  ARG  46          HH12      ARG  46  54.368  -3.919 -10.013
  358   1HH2  ARG  46          HH21      ARG  46  53.313  -6.712  -8.249
  359   2HH2  ARG  46          HH22      ARG  46  53.297  -5.897  -9.776
  360    H    MET  47           HN       MET  47  59.614  -2.716  -8.219
  361    HA   MET  47           HA       MET  47  59.972  -3.761 -10.940
  362   1HB   MET  47           HB2      MET  47  60.212  -1.416 -11.483
  363   2HB   MET  47           HB1      MET  47  58.931  -1.552 -10.277
  364   1HG   MET  47           HG2      MET  47  60.482  -0.932  -8.499
  365   2HG   MET  47           HG1      MET  47  61.826  -0.908  -9.640
  366   1HE   MET  47           HE3      MET  47  62.708   1.002  -9.332
  367   2HE   MET  47           HE2      MET  47  62.469   1.481 -11.012
  368   3HE   MET  47           HE1      MET  47  62.122   2.626  -9.718
  369    H    LEU  48           HN       LEU  48  62.039  -2.748  -8.255
  370    HA   LEU  48           HA       LEU  48  64.491  -2.427  -9.680
  371   1HB   LEU  48           HB2      LEU  48  63.501  -2.657  -6.961
  372   2HB   LEU  48           HB1      LEU  48  65.044  -3.496  -7.134
  373    HG   LEU  48           HG       LEU  48  64.862  -0.840  -8.443
  374   1HD1  LEU  48          HD13      LEU  48  64.576  -1.270  -5.488
  375   2HD1  LEU  48          HD12      LEU  48  65.529   0.097  -6.067
  376   3HD1  LEU  48          HD11      LEU  48  63.831  -0.048  -6.517
  377   1HD2  LEU  48          HD23      LEU  48  66.884  -2.379  -6.800
  378   2HD2  LEU  48          HD22      LEU  48  66.957  -1.991  -8.519
  379   3HD2  LEU  48          HD21      LEU  48  67.155  -0.715  -7.318
  380    H    GLY  49           HN       GLY  49  62.761  -5.309  -8.645
  381   1HA   GLY  49           HA2      GLY  49  63.266  -7.386  -9.931
  382   2HA   GLY  49           HA1      GLY  49  64.972  -6.951  -9.816
  383    H    GLN  50           HN       GLN  50  62.853  -6.486  -7.080
  384    HA   GLN  50           HA       GLN  50  64.219  -8.785  -5.712
  385   1HB   GLN  50           HB2      GLN  50  63.371  -6.023  -4.804
  386   2HB   GLN  50           HB1      GLN  50  63.815  -7.293  -3.663
  387   1HG   GLN  50           HG2      GLN  50  65.825  -7.255  -5.667
  388   2HG   GLN  50           HG1      GLN  50  65.545  -5.579  -5.189
  389   1HE2  GLN  50          HE22      GLN  50  67.894  -6.459  -2.616
  390   2HE2  GLN  50          HE21      GLN  50  67.773  -5.764  -4.159
  391    H    ASN  51           HN       ASN  51  62.789  -9.225  -3.554
  392    HA   ASN  51           HA       ASN  51  59.882  -9.141  -4.184
  393   1HB   ASN  51           HB2      ASN  51  61.580 -11.627  -3.804
  394   2HB   ASN  51           HB1      ASN  51  59.816 -11.638  -3.795
  395   1HD2  ASN  51          HD22      ASN  51  61.500 -12.025  -7.302
  396   2HD2  ASN  51          HD21      ASN  51  62.109 -12.557  -5.810
  397    HA   PRO  52           HA       PRO  52  61.218  -8.858   0.325
  398   1HB   PRO  52           HB2      PRO  52  60.492  -6.254   0.747
  399   2HB   PRO  52           HB1      PRO  52  62.113  -6.729   0.196
  400   1HG   PRO  52           HG2      PRO  52  59.822  -5.652  -1.369
  401   2HG   PRO  52           HG1      PRO  52  61.554  -5.323  -1.529
  402   1HD   PRO  52           HD2      PRO  52  60.178  -7.010  -3.177
  403   2HD   PRO  52           HD1      PRO  52  61.915  -7.166  -2.835
  404    H    THR  53           HN       THR  53  59.679  -9.071   2.007
  405    HA   THR  53           HA       THR  53  56.876  -9.332   1.177
  406    HB   THR  53           HB       THR  53  56.929  -9.787   3.853
  407    HG1  THR  53           HG1      THR  53  59.086 -10.836   4.073
  408   1HG2  THR  53          HG22      THR  53  57.250 -11.346   1.427
  409   2HG2  THR  53          HG21      THR  53  58.104 -12.093   2.776
  410   3HG2  THR  53          HG23      THR  53  56.379 -11.753   2.906
  411    HA   PRO  54           HA       PRO  54  55.349  -5.538   2.761
  412   1HB   PRO  54           HB2      PRO  54  53.127  -6.272   4.181
  413   2HB   PRO  54           HB1      PRO  54  53.200  -6.314   2.407
  414   1HG   PRO  54           HG2      PRO  54  53.469  -8.538   4.364
  415   2HG   PRO  54           HG1      PRO  54  52.669  -8.513   2.785
  416   1HD   PRO  54           HD2      PRO  54  55.137  -9.600   3.212
  417   2HD   PRO  54           HD1      PRO  54  54.610  -8.936   1.650
  418    H    GLU  55           HN       GLU  55  55.746  -8.106   5.167
  419    HA   GLU  55           HA       GLU  55  55.747  -6.244   7.442
  420   1HB   GLU  55           HB2      GLU  55  55.490  -9.036   6.920
  421   2HB   GLU  55           HB1      GLU  55  56.860  -8.829   8.011
  422   1HG   GLU  55           HG2      GLU  55  55.276  -8.759   9.639
  423   2HG   GLU  55           HG1      GLU  55  55.037  -7.097   9.100
  424    H    GLU  56           HN       GLU  56  58.079  -7.562   5.217
  425    HA   GLU  56           HA       GLU  56  60.395  -7.138   6.968
  426   1HB   GLU  56           HB2      GLU  56  59.773  -8.136   4.236
  427   2HB   GLU  56           HB1      GLU  56  61.398  -7.494   4.482
  428   1HG   GLU  56           HG2      GLU  56  60.512  -9.225   6.675
  429   2HG   GLU  56           HG1      GLU  56  60.579 -10.060   5.122
  430    H    LEU  57           HN       LEU  57  58.808  -5.417   4.291
  431    HA   LEU  57           HA       LEU  57  60.692  -3.510   3.567
  432   1HB   LEU  57           HB2      LEU  57  57.809  -3.816   3.630
  433   2HB   LEU  57           HB1      LEU  57  58.257  -2.129   3.892
  434    HG   LEU  57           HG       LEU  57  59.651  -2.162   1.874
  435   1HD1  LEU  57          HD11      LEU  57  59.156  -5.053   2.134
  436   2HD1  LEU  57          HD13      LEU  57  58.973  -4.441   0.491
  437   3HD1  LEU  57          HD12      LEU  57  60.491  -4.206   1.355
  438   1HD2  LEU  57          HD21      LEU  57  56.768  -2.967   1.748
  439   2HD2  LEU  57          HD23      LEU  57  57.528  -1.452   1.261
  440   3HD2  LEU  57          HD22      LEU  57  57.681  -2.883   0.242
  441    H    GLN  58           HN       GLN  58  58.168  -2.332   5.748
  442    HA   GLN  58           HA       GLN  58  59.686  -0.301   6.953
  443   1HB   GLN  58           HB2      GLN  58  57.208  -0.678   7.054
  444   2HB   GLN  58           HB1      GLN  58  57.492  -1.980   8.209
  445   1HG   GLN  58           HG2      GLN  58  56.930   0.185   9.322
  446   2HG   GLN  58           HG1      GLN  58  58.524  -0.420   9.776
  447   1HE2  GLN  58          HE22      GLN  58  60.279   2.251   8.226
  448   2HE2  GLN  58          HE21      GLN  58  60.414   0.716   8.940
  449    H    GLU  59           HN       GLU  59  59.143  -3.628   8.165
  450    HA   GLU  59           HA       GLU  59  60.516  -3.572  10.578
  451   1HB   GLU  59           HB2      GLU  59  59.402  -5.547   9.833
  452   2HB   GLU  59           HB1      GLU  59  60.365  -5.620   8.356
  453   1HG   GLU  59           HG2      GLU  59  62.405  -5.965   9.795
  454   2HG   GLU  59           HG1      GLU  59  61.330  -6.100  11.188
  455    H    MET  60           HN       MET  60  62.135  -4.773   7.619
  456    HA   MET  60           HA       MET  60  64.781  -4.613   8.523
  457   1HB   MET  60           HB2      MET  60  63.364  -4.461   5.892
  458   2HB   MET  60           HB1      MET  60  65.093  -4.108   5.916
  459   1HG   MET  60           HG2      MET  60  63.843  -6.608   7.090
  460   2HG   MET  60           HG1      MET  60  64.601  -6.525   5.500
  461   1HE   MET  60           HE1      MET  60  66.310  -7.252   5.036
  462   2HE   MET  60           HE3      MET  60  67.915  -6.788   5.617
  463   3HE   MET  60           HE2      MET  60  67.167  -8.281   6.180
  464    H    ILE  61           HN       ILE  61  62.955  -2.078   6.761
  465    HA   ILE  61           HA       ILE  61  64.978  -0.092   6.713
  466    HB   ILE  61           HB       ILE  61  61.961   0.144   6.985
  467   1HG1  ILE  61          HG12      ILE  61  63.608   0.276   4.453
  468   2HG1  ILE  61          HG11      ILE  61  62.987  -1.256   5.069
  469   1HG2  ILE  61          HG22      ILE  61  64.142   2.099   6.307
  470   2HG2  ILE  61          HG21      ILE  61  62.543   2.290   5.587
  471   3HG2  ILE  61          HG23      ILE  61  62.732   2.323   7.341
  472   1HD1  ILE  61          HD12      ILE  61  60.745   0.280   5.224
  473   2HD1  ILE  61          HD11      ILE  61  61.536   1.004   3.822
  474   3HD1  ILE  61          HD13      ILE  61  61.151  -0.718   3.826
  475    H    ASP  62           HN       ASP  62  62.222  -0.237   9.010
  476    HA   ASP  62           HA       ASP  62  63.113   1.720  10.824
  477   1HB   ASP  62           HB2      ASP  62  60.916   0.859  11.022
  478   2HB   ASP  62           HB1      ASP  62  61.483  -0.811  11.051
  479    H    GLU  63           HN       GLU  63  64.319  -1.502  10.289
  480    HA   GLU  63           HA       GLU  63  65.689  -1.719  12.878
  481   1HB   GLU  63           HB2      GLU  63  65.189  -3.306  10.440
  482   2HB   GLU  63           HB1      GLU  63  66.753  -3.611  11.194
  483   1HG   GLU  63           HG2      GLU  63  65.823  -4.523  13.076
  484   2HG   GLU  63           HG1      GLU  63  64.428  -3.445  13.035
  485    H    VAL  64           HN       VAL  64  66.558  -0.931   9.517
  486    HA   VAL  64           HA       VAL  64  69.407  -0.612  10.215
  487    HB   VAL  64           HB       VAL  64  68.444  -1.562   8.056
  488   1HG1  VAL  64          HG13      VAL  64  67.744   1.365   7.698
  489   2HG1  VAL  64          HG12      VAL  64  67.805   0.208   6.368
  490   3HG1  VAL  64          HG11      VAL  64  66.638  -0.008   7.673
  491   1HG2  VAL  64          HG23      VAL  64  70.789  -0.739   8.280
  492   2HG2  VAL  64          HG22      VAL  64  70.146  -0.496   6.656
  493   3HG2  VAL  64          HG21      VAL  64  70.249   0.862   7.776
  494    H    ASP  65           HN       ASP  65  66.559   1.329  10.145
  495    HA   ASP  65           HA       ASP  65  67.692   3.888   9.500
  496   1HB   ASP  65           HB2      ASP  65  65.251   3.127   9.636
  497   2HB   ASP  65           HB1      ASP  65  65.395   3.302  11.385
  498    H    GLU  66           HN       GLU  66  69.077   5.115  10.713
  499    HA   GLU  66           HA       GLU  66  69.377   4.439  13.620
  500   1HB   GLU  66           HB2      GLU  66  71.192   5.005  11.364
  501   2HB   GLU  66           HB1      GLU  66  71.619   5.840  12.858
  502   1HG   GLU  66           HG2      GLU  66  72.301   3.926  13.843
  503   2HG   GLU  66           HG1      GLU  66  70.850   3.064  13.331
  504    H    ASP  67           HN       ASP  67  68.937   7.034  11.268
  505    HA   ASP  67           HA       ASP  67  69.211   9.176  13.250
  506   1HB   ASP  67           HB2      ASP  67  68.604  10.575  11.327
  507   2HB   ASP  67           HB1      ASP  67  69.785   9.364  10.825
  508    H    GLY  68           HN       GLY  68  66.931   6.878  13.003
  509   1HA   GLY  68           HA2      GLY  68  64.630   6.748  13.475
  510   2HA   GLY  68           HA1      GLY  68  64.976   8.070  14.590
  511    H    SER  69           HN       SER  69  65.023   7.936  11.020
  512    HA   SER  69           HA       SER  69  63.382  10.421  10.985
  513   1HB   SER  69           HB2      SER  69  64.403  10.796   8.914
  514   2HB   SER  69           HB1      SER  69  65.655   9.890   9.757
  515    HG   SER  69           HG       SER  69  65.136   9.107   7.616
  516    H    GLY  70           HN       GLY  70  63.485   7.207   9.393
  517   1HA   GLY  70           HA2      GLY  70  61.343   5.917   9.325
  518   2HA   GLY  70           HA1      GLY  70  60.527   7.449   9.006
  519    H    THR  71           HN       THR  71  62.570   8.416   7.147
  520    HA   THR  71           HA       THR  71  61.664   6.926   4.756
  521    HB   THR  71           HB       THR  71  62.667   8.885   3.602
  522    HG1  THR  71           HG1      THR  71  64.191   9.871   4.622
  523   1HG2  THR  71          HG23      THR  71  60.589   8.978   5.636
  524   2HG2  THR  71          HG22      THR  71  61.345  10.554   5.407
  525   3HG2  THR  71          HG21      THR  71  60.619   9.717   4.035
  526    H    VAL  72           HN       VAL  72  63.218   6.156   3.155
  527    HA   VAL  72           HA       VAL  72  65.742   5.188   4.402
  528    HB   VAL  72           HB       VAL  72  64.598   4.441   1.708
  529   1HG1  VAL  72          HG12      VAL  72  66.901   3.696   2.843
  530   2HG1  VAL  72          HG11      VAL  72  65.840   2.536   3.642
  531   3HG1  VAL  72          HG13      VAL  72  65.940   2.574   1.882
  532   1HG2  VAL  72          HG22      VAL  72  63.769   3.392   4.433
  533   2HG2  VAL  72          HG21      VAL  72  62.742   4.262   3.293
  534   3HG2  VAL  72          HG23      VAL  72  63.329   2.647   2.897
  535    H    ASP  73           HN       ASP  73  67.316   6.777   4.136
  536    HA   ASP  73           HA       ASP  73  67.498   8.256   1.573
  537   1HB   ASP  73           HB2      ASP  73  67.694   9.428   3.722
  538   2HB   ASP  73           HB1      ASP  73  69.033   8.380   4.190
  539    H    PHE  74           HN       PHE  74  69.737   8.424   0.577
  540    HA   PHE  74           HA       PHE  74  70.773   6.048  -0.381
  541   1HB   PHE  74           HB2      PHE  74  71.327   8.659  -0.680
  542   2HB   PHE  74           HB1      PHE  74  72.709   8.211   0.322
  543    HD1  PHE  74           HD1      PHE  74  71.021   7.696  -2.911
  544    HD2  PHE  74           HD2      PHE  74  74.396   6.637  -0.475
  545    HE1  PHE  74           HE1      PHE  74  72.133   6.691  -4.888
  546    HE2  PHE  74           HE2      PHE  74  75.508   5.634  -2.451
  547    HZ   PHE  74           HZ       PHE  74  74.377   5.660  -4.657
  548    H    ASP  75           HN       ASP  75  71.457   7.554   2.744
  549    HA   ASP  75           HA       ASP  75  73.708   5.902   3.461
  550   1HB   ASP  75           HB2      ASP  75  72.079   8.004   4.526
  551   2HB   ASP  75           HB1      ASP  75  72.188   6.728   5.740
  552    H    GLU  76           HN       GLU  76  70.414   5.793   4.874
  553    HA   GLU  76           HA       GLU  76  70.750   3.089   5.850
  554   1HB   GLU  76           HB2      GLU  76  68.280   4.796   5.386
  555   2HB   GLU  76           HB1      GLU  76  68.357   3.365   6.415
  556   1HG   GLU  76           HG2      GLU  76  69.798   4.423   7.973
  557   2HG   GLU  76           HG1      GLU  76  70.201   5.716   6.843
  558    H    PHE  77           HN       PHE  77  69.445   4.502   2.894
  559    HA   PHE  77           HA       PHE  77  67.936   2.311   1.902
  560   1HB   PHE  77           HB2      PHE  77  67.904   4.533   0.920
  561   2HB   PHE  77           HB1      PHE  77  69.623   4.434   0.542
  562    HD1  PHE  77           HD1      PHE  77  66.506   2.405  -0.008
  563    HD2  PHE  77           HD2      PHE  77  70.185   3.896  -1.647
  564    HE1  PHE  77           HE1      PHE  77  65.969   1.340  -2.183
  565    HE2  PHE  77           HE2      PHE  77  69.649   2.831  -3.821
  566    HZ   PHE  77           HZ       PHE  77  67.541   1.553  -4.089
  567    H    LEU  78           HN       LEU  78  71.421   3.034   1.601
  568    HA   LEU  78           HA       LEU  78  72.016   0.731  -0.053
  569   1HB   LEU  78           HB2      LEU  78  73.498   2.788   1.550
  570   2HB   LEU  78           HB1      LEU  78  74.382   1.374   0.975
  571    HG   LEU  78           HG       LEU  78  72.744   3.236  -0.773
  572   1HD1  LEU  78          HD13      LEU  78  75.683   3.025  -0.144
  573   2HD1  LEU  78          HD12      LEU  78  75.146   3.647  -1.704
  574   3HD1  LEU  78          HD11      LEU  78  74.667   4.465  -0.217
  575   1HD2  LEU  78          HD22      LEU  78  73.587   0.561  -1.160
  576   2HD2  LEU  78          HD21      LEU  78  72.925   1.658  -2.372
  577   3HD2  LEU  78          HD23      LEU  78  74.669   1.563  -2.128
  578    H    VAL  79           HN       VAL  79  72.462   1.422   3.433
  579    HA   VAL  79           HA       VAL  79  73.607  -1.023   4.241
  580    HB   VAL  79           HB       VAL  79  71.560   0.689   5.689
  581   1HG1  VAL  79          HG11      VAL  79  72.230  -1.561   6.685
  582   2HG1  VAL  79          HG13      VAL  79  73.864  -0.912   6.825
  583   3HG1  VAL  79          HG12      VAL  79  72.536  -0.156   7.706
  584   1HG2  VAL  79          HG22      VAL  79  74.131   1.360   4.648
  585   2HG2  VAL  79          HG21      VAL  79  73.096   2.338   5.688
  586   3HG2  VAL  79          HG23      VAL  79  74.283   1.246   6.401
  587    H    MET  80           HN       MET  80  70.199  -0.233   3.615
  588    HA   MET  80           HA       MET  80  69.070  -2.643   4.707
  589   1HB   MET  80           HB2      MET  80  68.267  -0.258   3.382
  590   2HB   MET  80           HB1      MET  80  67.594  -1.605   2.462
  591   1HG   MET  80           HG2      MET  80  67.377  -1.863   5.402
  592   2HG   MET  80           HG1      MET  80  66.420  -0.563   4.691
  593   1HE   MET  80           HE1      MET  80  65.805  -1.065   2.177
  594   2HE   MET  80           HE3      MET  80  64.713  -2.390   1.754
  595   3HE   MET  80           HE2      MET  80  64.197  -1.150   2.894
  596    H    MET  81           HN       MET  81  70.520  -1.847   1.591
  597    HA   MET  81           HA       MET  81  69.615  -4.276   0.246
  598   1HB   MET  81           HB2      MET  81  71.177  -1.844  -0.277
  599   2HB   MET  81           HB1      MET  81  71.811  -3.263  -1.114
  600   1HG   MET  81           HG2      MET  81  70.054  -3.333  -2.536
  601   2HG   MET  81           HG1      MET  81  68.892  -3.101  -1.229
  602   1HE   MET  81           HE3      MET  81  67.453  -2.089  -2.293
  603   2HE   MET  81           HE2      MET  81  67.310  -0.435  -1.700
  604   3HE   MET  81           HE1      MET  81  67.564  -0.730  -3.419
  605    H    VAL  82           HN       VAL  82  72.900  -3.160   1.197
  606    HA   VAL  82           HA       VAL  82  74.291  -5.559   0.821
  607    HB   VAL  82           HB       VAL  82  75.470  -3.567   1.380
  608   1HG1  VAL  82          HG13      VAL  82  73.449  -3.433   3.577
  609   2HG1  VAL  82          HG12      VAL  82  75.025  -2.695   3.862
  610   3HG1  VAL  82          HG11      VAL  82  74.031  -2.157   2.508
  611   1HG2  VAL  82          HG22      VAL  82  75.792  -5.910   2.921
  612   2HG2  VAL  82          HG21      VAL  82  76.992  -4.647   2.646
  613   3HG2  VAL  82          HG23      VAL  82  75.936  -4.567   4.056
  614    H    ARG  83           HN       ARG  83  71.993  -4.718   3.329
  615    HA   ARG  83           HA       ARG  83  72.663  -6.681   5.295
  616   1HB   ARG  83           HB2      ARG  83  70.361  -4.985   4.499
  617   2HB   ARG  83           HB1      ARG  83  69.952  -6.401   5.470
  618   1HG   ARG  83           HG2      ARG  83  72.078  -5.538   6.872
  619   2HG   ARG  83           HG1      ARG  83  71.545  -3.994   6.208
  620   1HD   ARG  83           HD2      ARG  83  69.413  -4.154   7.245
  621   2HD   ARG  83           HD1      ARG  83  69.607  -5.889   7.559
  622    HE   ARG  83           HE       ARG  83  71.687  -4.232   8.785
  623   1HH1  ARG  83          HH21      ARG  83  71.579  -6.252  10.489
  624   2HH1  ARG  83          HH22      ARG  83  70.273  -6.000  11.598
  625   1HH2  ARG  83          HH11      ARG  83  68.692  -3.635   9.615
  626   2HH2  ARG  83          HH12      ARG  83  68.639  -4.518  11.104
  627    H    CYS  84           HN       CYS  84  69.996  -6.842   2.901
  628    HA   CYS  84           HA       CYS  84  69.490  -9.631   3.196
  629   1HB   CYS  84           HB2      CYS  84  68.075  -7.830   2.110
  630   2HB   CYS  84           HB1      CYS  84  69.162  -7.902   0.723
  631    HG   CYS  84           HG       CYS  84  68.470 -10.534   0.593
  632    H    MET  85           HN       MET  85  72.038  -7.920   1.601
  633    HA   MET  85           HA       MET  85  72.754 -10.040  -0.284
  634   1HB   MET  85           HB2      MET  85  74.065  -7.508   0.744
  635   2HB   MET  85           HB1      MET  85  74.792  -8.525  -0.500
  636   1HG   MET  85           HG2      MET  85  72.307  -8.272  -1.529
  637   2HG   MET  85           HG1      MET  85  72.420  -6.741  -0.660
  638   1HE   MET  85           HE2      MET  85  73.468  -4.965  -1.094
  639   2HE   MET  85           HE1      MET  85  74.525  -4.528  -2.435
  640   3HE   MET  85           HE3      MET  85  72.806  -4.834  -2.721
  641    H    LYS  86           HN       LYS  86  73.865  -8.942   2.916
  642    HA   LYS  86           HA       LYS  86  75.402 -11.506   3.164
  643   1HB   LYS  86           HB2      LYS  86  76.766  -9.403   2.663
  644   2HB   LYS  86           HB1      LYS  86  76.261  -8.809   4.246
  645   1HG   LYS  86           HG2      LYS  86  77.833 -10.061   5.256
  646   2HG   LYS  86           HG1      LYS  86  77.190 -11.521   4.501
  647   1HD   LYS  86           HD2      LYS  86  78.935 -11.605   3.085
  648   2HD   LYS  86           HD1      LYS  86  78.596  -9.966   2.526
  649   1HE   LYS  86           HE2      LYS  86  80.661  -9.543   3.462
  650   2HE   LYS  86           HE1      LYS  86  79.711  -9.428   4.957
  651   1HZ   LYS  86           HZ3      LYS  86  79.953 -11.942   5.051
  652   2HZ   LYS  86           HZ2      LYS  86  81.190 -11.764   3.900
  653   3HZ   LYS  86           HZ1      LYS  86  81.333 -11.030   5.425
  654    H    ASP  87           HN       ASP  87  73.904 -12.503   4.562
  655    HA   ASP  87           HA       ASP  87  73.324 -11.049   7.125
  656   1HB   ASP  87           HB2      ASP  87  71.562 -11.868   5.212
  657   2HB   ASP  87           HB1      ASP  87  71.599 -13.295   6.248
  658    H    ASP  88           HN       ASP  88  72.833 -12.709   8.937
  659    HA   ASP  88           HA       ASP  88  73.541 -14.528  10.272
  660   1HB   ASP  88           HB2      ASP  88  73.205 -15.414   7.587
  661   2HB   ASP  88           HB1      ASP  88  74.669 -16.178   8.205
  662    H    SER  89           HN       SER  89  75.722 -16.109  10.279
  663    HA   SER  89           HA       SER  89  77.997 -14.168  10.172
  664   1HB   SER  89           HB2      SER  89  76.962 -15.729  12.196
  665   2HB   SER  89           HB1      SER  89  78.298 -16.721  11.615
  666    HG   SER  89           HG       SER  89  79.372 -14.447  11.681
   
  No H/Q in entry =         666
  Start of MODEL    2
    1   1H    MET   1           HT2      MET   1  77.438  -0.122  17.733
    2   2H    MET   1           HT1      MET   1  78.875  -1.025  17.648
    3   3H    MET   1           HT3      MET   1  78.563  -0.053  19.004
    4    HA   MET   1           HA       MET   1  79.036   1.908  17.904
    5   1HB   MET   1           HB2      MET   1  80.669  -0.395  16.807
    6   2HB   MET   1           HB1      MET   1  81.127   1.291  16.566
    7   1HG   MET   1           HG2      MET   1  80.816   1.455  19.172
    8   2HG   MET   1           HG1      MET   1  81.029  -0.295  19.115
    9   1HE   MET   1           HE3      MET   1  82.339   2.365  20.183
   10   2HE   MET   1           HE2      MET   1  83.518   1.195  20.770
   11   3HE   MET   1           HE1      MET   1  84.054   2.556  19.788
   12    H    ASP   2           HN       ASP   2  77.785  -0.592  15.851
   13    HA   ASP   2           HA       ASP   2  76.775  -0.486  13.716
   14   1HB   ASP   2           HB2      ASP   2  75.811   1.516  15.087
   15   2HB   ASP   2           HB1      ASP   2  76.849   2.508  14.062
   16    H    ASP   3           HN       ASP   3  79.571  -0.702  13.674
   17    HA   ASP   3           HA       ASP   3  80.331   1.127  11.416
   18   1HB   ASP   3           HB2      ASP   3  81.548   0.489  13.958
   19   2HB   ASP   3           HB1      ASP   3  82.625   0.010  12.646
   20    H    ILE   4           HN       ILE   4  79.521  -2.024  12.210
   21    HA   ILE   4           HA       ILE   4  81.461  -3.427  10.518
   22    HB   ILE   4           HB       ILE   4  78.787  -4.332  11.633
   23   1HG1  ILE   4          HG12      ILE   4  81.469  -4.693  12.972
   24   2HG1  ILE   4          HG11      ILE   4  80.482  -3.266  13.284
   25   1HG2  ILE   4          HG22      ILE   4  81.190  -5.665  10.449
   26   2HG2  ILE   4          HG21      ILE   4  80.330  -6.497  11.746
   27   3HG2  ILE   4          HG23      ILE   4  79.482  -6.063  10.261
   28   1HD1  ILE   4          HD12      ILE   4  78.882  -5.685  13.417
   29   2HD1  ILE   4          HD11      ILE   4  80.242  -5.761  14.536
   30   3HD1  ILE   4          HD13      ILE   4  79.097  -4.424  14.630
   31    H    TYR   5           HN       TYR   5  77.893  -3.100  10.311
   32    HA   TYR   5           HA       TYR   5  77.646  -3.947   7.612
   33   1HB   TYR   5           HB2      TYR   5  76.066  -2.272   9.544
   34   2HB   TYR   5           HB1      TYR   5  75.512  -2.411   7.875
   35    HD1  TYR   5           HD2      TYR   5  76.321  -4.316  10.951
   36    HD2  TYR   5           HD1      TYR   5  74.581  -4.456   7.027
   37    HE1  TYR   5           HE2      TYR   5  75.372  -6.552  11.453
   38    HE2  TYR   5           HE1      TYR   5  73.631  -6.692   7.528
   39    HH   TYR   5           HH       TYR   5  74.116  -8.591   9.067
   40    H    LYS   6           HN       LYS   6  77.994  -0.648   8.958
   41    HA   LYS   6           HA       LYS   6  77.761   0.886   6.629
   42   1HB   LYS   6           HB2      LYS   6  79.035   1.047   9.264
   43   2HB   LYS   6           HB1      LYS   6  79.860   2.027   8.051
   44   1HG   LYS   6           HG2      LYS   6  77.302   2.652   7.455
   45   2HG   LYS   6           HG1      LYS   6  77.123   2.318   9.178
   46   1HD   LYS   6           HD2      LYS   6  78.341   4.146   9.792
   47   2HD   LYS   6           HD1      LYS   6  79.476   3.961   8.453
   48   1HE   LYS   6           HE2      LYS   6  76.641   4.818   7.888
   49   2HE   LYS   6           HE1      LYS   6  77.843   6.011   8.419
   50   1HZ   LYS   6           HZ1      LYS   6  78.741   4.110   6.416
   51   2HZ   LYS   6           HZ3      LYS   6  77.586   5.230   5.880
   52   3HZ   LYS   6           HZ2      LYS   6  79.050   5.775   6.547
   53    H    ALA   7           HN       ALA   7  80.548  -1.015   7.754
   54    HA   ALA   7           HA       ALA   7  82.390  -0.102   5.724
   55   1HB   ALA   7           HB2      ALA   7  82.948  -1.193   7.910
   56   2HB   ALA   7           HB1      ALA   7  82.291  -2.705   7.284
   57   3HB   ALA   7           HB3      ALA   7  83.719  -1.989   6.537
   58    H    ALA   8           HN       ALA   8  79.676  -2.206   5.637
   59    HA   ALA   8           HA       ALA   8  80.619  -3.876   3.415
   60   1HB   ALA   8           HB2      ALA   8  78.546  -3.838   5.368
   61   2HB   ALA   8           HB1      ALA   8  77.764  -3.852   3.787
   62   3HB   ALA   8           HB3      ALA   8  78.912  -5.122   4.215
   63    H    VAL   9           HN       VAL   9  77.982  -1.463   3.763
   64    HA   VAL   9           HA       VAL   9  77.226  -1.199   1.087
   65    HB   VAL   9           HB       VAL   9  77.511   0.828   3.322
   66   1HG1  VAL   9          HG11      VAL   9  76.565   1.109   0.522
   67   2HG1  VAL   9          HG13      VAL   9  75.528   1.815   1.761
   68   3HG1  VAL   9          HG12      VAL   9  77.210   2.329   1.621
   69   1HG2  VAL   9          HG21      VAL   9  75.625  -1.292   2.630
   70   2HG2  VAL   9          HG23      VAL   9  75.779  -0.381   4.132
   71   3HG2  VAL   9          HG22      VAL   9  74.827   0.272   2.799
   72    H    GLU  10           HN       GLU  10  80.161  -0.075   2.639
   73    HA   GLU  10           HA       GLU  10  80.910   1.802   0.533
   74   1HB   GLU  10           HB2      GLU  10  82.156   0.552   2.971
   75   2HB   GLU  10           HB1      GLU  10  83.166   1.463   1.847
   76   1HG   GLU  10           HG2      GLU  10  81.384   3.321   2.043
   77   2HG   GLU  10           HG1      GLU  10  80.810   2.440   3.460
   78    H    GLN  11           HN       GLN  11  81.446  -1.618   1.202
   79    HA   GLN  11           HA       GLN  11  83.671  -2.128  -0.484
   80   1HB   GLN  11           HB2      GLN  11  81.219  -3.774   0.218
   81   2HB   GLN  11           HB1      GLN  11  82.676  -4.440  -0.520
   82   1HG   GLN  11           HG2      GLN  11  82.734  -2.875   2.069
   83   2HG   GLN  11           HG1      GLN  11  82.541  -4.628   2.022
   84   1HE2  GLN  11          HE22      GLN  11  86.223  -3.500   2.126
   85   2HE2  GLN  11          HE21      GLN  11  84.883  -2.897   2.976
   86    H    LEU  12           HN       LEU  12  80.270  -1.609  -1.254
   87    HA   LEU  12           HA       LEU  12  80.019  -2.683  -3.818
   88   1HB   LEU  12           HB2      LEU  12  79.070  -0.037  -2.673
   89   2HB   LEU  12           HB1      LEU  12  78.428  -0.759  -4.148
   90    HG   LEU  12           HG       LEU  12  78.458  -2.177  -1.473
   91   1HD1  LEU  12          HD11      LEU  12  76.252  -0.599  -2.831
   92   2HD1  LEU  12          HD13      LEU  12  76.011  -1.655  -1.440
   93   3HD1  LEU  12          HD12      LEU  12  77.021  -0.218  -1.291
   94   1HD2  LEU  12          HD22      LEU  12  77.278  -2.725  -4.198
   95   2HD2  LEU  12          HD21      LEU  12  78.284  -3.780  -3.204
   96   3HD2  LEU  12          HD23      LEU  12  76.609  -3.472  -2.747
   97    H    THR  13           HN       THR  13  80.466  -1.855  -5.941
   98    HA   THR  13           HA       THR  13  82.890  -0.168  -6.093
   99    HB   THR  13           HB       THR  13  82.483  -0.834  -8.598
  100    HG1  THR  13           HG1      THR  13  80.247  -1.518  -7.806
  101   1HG2  THR  13          HG23      THR  13  83.544  -2.257  -6.305
  102   2HG2  THR  13          HG22      THR  13  82.954  -3.382  -7.529
  103   3HG2  THR  13          HG21      THR  13  84.169  -2.176  -7.952
  104    H    GLU  14           HN       GLU  14  82.923   1.610  -7.780
  105    HA   GLU  14           HA       GLU  14  80.822   3.515  -7.341
  106   1HB   GLU  14           HB2      GLU  14  82.153   4.894  -8.730
  107   2HB   GLU  14           HB1      GLU  14  83.317   3.775  -8.026
  108   1HG   GLU  14           HG2      GLU  14  83.086   2.334 -10.066
  109   2HG   GLU  14           HG1      GLU  14  82.056   3.578 -10.775
  110    H    GLU  15           HN       GLU  15  81.412   1.143  -9.896
  111    HA   GLU  15           HA       GLU  15  79.490   2.113 -11.797
  112   1HB   GLU  15           HB2      GLU  15  79.724  -0.194 -12.691
  113   2HB   GLU  15           HB1      GLU  15  81.293   0.496 -12.272
  114   1HG   GLU  15           HG2      GLU  15  81.492  -1.558 -11.232
  115   2HG   GLU  15           HG1      GLU  15  80.759  -0.635  -9.919
  116    H    GLN  16           HN       GLN  16  79.222   0.089  -8.918
  117    HA   GLN  16           HA       GLN  16  76.434  -0.671  -9.494
  118   1HB   GLN  16           HB2      GLN  16  78.186  -2.092  -8.338
  119   2HB   GLN  16           HB1      GLN  16  78.087  -0.981  -6.971
  120   1HG   GLN  16           HG2      GLN  16  76.139  -1.875  -6.252
  121   2HG   GLN  16           HG1      GLN  16  75.454  -1.885  -7.879
  122   1HE2  GLN  16          HE22      GLN  16  75.767  -5.448  -7.037
  123   2HE2  GLN  16          HE21      GLN  16  74.778  -4.130  -6.626
  124    H    LYS  17           HN       LYS  17  77.967   0.978  -6.697
  125    HA   LYS  17           HA       LYS  17  75.732   2.055  -5.467
  126   1HB   LYS  17           HB2      LYS  17  78.508   3.144  -5.977
  127   2HB   LYS  17           HB1      LYS  17  77.362   3.987  -4.932
  128   1HG   LYS  17           HG2      LYS  17  77.419   2.348  -3.309
  129   2HG   LYS  17           HG1      LYS  17  77.776   1.066  -4.466
  130   1HD   LYS  17           HD2      LYS  17  79.991   1.283  -4.124
  131   2HD   LYS  17           HD1      LYS  17  79.917   3.022  -4.415
  132   1HE   LYS  17           HE2      LYS  17  79.043   3.288  -2.046
  133   2HE   LYS  17           HE1      LYS  17  79.433   1.575  -1.792
  134   1HZ   LYS  17           HZ3      LYS  17  81.430   3.351  -3.021
  135   2HZ   LYS  17           HZ2      LYS  17  81.232   3.377  -1.334
  136   3HZ   LYS  17           HZ1      LYS  17  81.667   1.934  -2.118
  137    H    ASN  18           HN       ASN  18  77.387   3.316  -8.354
  138    HA   ASN  18           HA       ASN  18  75.963   5.765  -8.632
  139   1HB   ASN  18           HB2      ASN  18  77.349   3.824 -10.475
  140   2HB   ASN  18           HB1      ASN  18  76.557   5.258 -11.130
  141   1HD2  ASN  18          HD22      ASN  18  79.905   6.521 -10.503
  142   2HD2  ASN  18          HD21      ASN  18  79.032   5.649 -11.668
  143    H    GLU  19           HN       GLU  19  75.173   2.465  -9.714
  144    HA   GLU  19           HA       GLU  19  72.860   3.129 -11.270
  145   1HB   GLU  19           HB2      GLU  19  74.228   0.803 -10.147
  146   2HB   GLU  19           HB1      GLU  19  72.476   0.594 -10.161
  147   1HG   GLU  19           HG2      GLU  19  72.793  -0.035 -12.325
  148   2HG   GLU  19           HG1      GLU  19  72.897   1.700 -12.628
  149    H    PHE  20           HN       PHE  20  73.330   2.529  -7.808
  150    HA   PHE  20           HA       PHE  20  70.552   2.349  -7.080
  151   1HB   PHE  20           HB2      PHE  20  73.159   2.989  -5.709
  152   2HB   PHE  20           HB1      PHE  20  71.642   3.099  -4.819
  153    HD1  PHE  20           HD1      PHE  20  73.396   0.763  -7.181
  154    HD2  PHE  20           HD2      PHE  20  70.880   1.188  -3.725
  155    HE1  PHE  20           HE1      PHE  20  73.391  -1.698  -6.882
  156    HE2  PHE  20           HE2      PHE  20  70.875  -1.275  -3.426
  157    HZ   PHE  20           HZ       PHE  20  72.132  -2.717  -5.005
  158    H    LYS  21           HN       LYS  21  72.713   5.053  -7.696
  159    HA   LYS  21           HA       LYS  21  71.205   7.124  -6.399
  160   1HB   LYS  21           HB2      LYS  21  73.449   7.562  -7.017
  161   2HB   LYS  21           HB1      LYS  21  73.206   6.950  -8.653
  162   1HG   LYS  21           HG2      LYS  21  72.310   8.916  -9.400
  163   2HG   LYS  21           HG1      LYS  21  71.491   9.241  -7.871
  164   1HD   LYS  21           HD2      LYS  21  73.162  10.890  -7.920
  165   2HD   LYS  21           HD1      LYS  21  73.896   9.621  -6.938
  166   1HE   LYS  21           HE2      LYS  21  75.626  10.028  -8.452
  167   2HE   LYS  21           HE1      LYS  21  74.740   8.765  -9.330
  168   1HZ   LYS  21           HZ3      LYS  21  73.325  10.804 -10.105
  169   2HZ   LYS  21           HZ2      LYS  21  74.747  11.669  -9.762
  170   3HZ   LYS  21           HZ1      LYS  21  74.769  10.411 -10.903
  171    H    ALA  22           HN       ALA  22  71.258   6.042  -9.818
  172    HA   ALA  22           HA       ALA  22  69.335   7.804 -10.874
  173   1HB   ALA  22           HB1      ALA  22  70.816   6.069 -12.012
  174   2HB   ALA  22           HB3      ALA  22  69.624   4.861 -11.535
  175   3HB   ALA  22           HB2      ALA  22  69.167   6.165 -12.631
  176    H    ALA  23           HN       ALA  23  68.695   4.473  -9.691
  177    HA   ALA  23           HA       ALA  23  65.869   4.582  -9.811
  178   1HB   ALA  23           HB1      ALA  23  67.831   2.789  -9.108
  179   2HB   ALA  23           HB3      ALA  23  67.061   3.101  -7.553
  180   3HB   ALA  23           HB2      ALA  23  66.104   2.500  -8.906
  181    H    PHE  24           HN       PHE  24  68.068   5.439  -7.125
  182    HA   PHE  24           HA       PHE  24  66.281   5.969  -5.065
  183   1HB   PHE  24           HB2      PHE  24  68.648   6.211  -4.773
  184   2HB   PHE  24           HB1      PHE  24  68.744   7.434  -6.041
  185    HD1  PHE  24           HD1      PHE  24  67.887   9.715  -5.666
  186    HD2  PHE  24           HD2      PHE  24  67.856   6.762  -2.547
  187    HE1  PHE  24           HE1      PHE  24  67.491  11.496  -3.986
  188    HE2  PHE  24           HE2      PHE  24  67.460   8.543  -0.866
  189    HZ   PHE  24           HZ       PHE  24  67.278  10.909  -1.586
  190    H    ASP  25           HN       ASP  25  67.120   8.163  -7.762
  191    HA   ASP  25           HA       ASP  25  65.354  10.291  -6.913
  192   1HB   ASP  25           HB2      ASP  25  66.674   9.545  -9.540
  193   2HB   ASP  25           HB1      ASP  25  65.826  11.069  -9.274
  194    H    ILE  26           HN       ILE  26  64.706   7.235  -8.249
  195    HA   ILE  26           HA       ILE  26  62.349   8.080  -9.807
  196    HB   ILE  26           HB       ILE  26  63.540   5.394  -9.072
  197   1HG1  ILE  26          HG12      ILE  26  63.797   7.287 -11.409
  198   2HG1  ILE  26          HG11      ILE  26  65.078   6.499 -10.487
  199   1HG2  ILE  26          HG21      ILE  26  61.094   5.320  -9.575
  200   2HG2  ILE  26          HG23      ILE  26  61.423   6.083 -11.131
  201   3HG2  ILE  26          HG22      ILE  26  62.064   4.477 -10.784
  202   1HD1  ILE  26          HD12      ILE  26  64.374   4.309 -11.408
  203   2HD1  ILE  26          HD11      ILE  26  63.129   5.122 -12.355
  204   3HD1  ILE  26          HD13      ILE  26  64.833   5.434 -12.686
  205    H    PHE  27           HN       PHE  27  63.071   6.532  -6.678
  206    HA   PHE  27           HA       PHE  27  60.258   5.955  -6.105
  207   1HB   PHE  27           HB2      PHE  27  62.515   6.123  -4.111
  208   2HB   PHE  27           HB1      PHE  27  61.141   5.021  -4.119
  209    HD1  PHE  27           HD2      PHE  27  60.989   3.583  -6.430
  210    HD2  PHE  27           HD1      PHE  27  64.567   5.211  -4.698
  211    HE1  PHE  27           HE2      PHE  27  62.346   1.903  -7.652
  212    HE2  PHE  27           HE1      PHE  27  65.923   3.533  -5.922
  213    HZ   PHE  27           HZ       PHE  27  64.812   1.879  -7.399
  214    H    VAL  28           HN       VAL  28  62.471   8.618  -5.618
  215    HA   VAL  28           HA       VAL  28  60.795   9.914  -3.571
  216    HB   VAL  28           HB       VAL  28  62.612  11.491  -3.537
  217   1HG1  VAL  28          HG12      VAL  28  63.049   8.648  -3.457
  218   2HG1  VAL  28          HG11      VAL  28  64.500   9.445  -4.066
  219   3HG1  VAL  28          HG13      VAL  28  63.830   9.908  -2.501
  220   1HG2  VAL  28          HG21      VAL  28  63.035  10.451  -6.303
  221   2HG2  VAL  28          HG23      VAL  28  63.134  12.106  -5.701
  222   3HG2  VAL  28          HG22      VAL  28  64.457  10.980  -5.404
  223    H    LEU  29           HN       LEU  29  59.852   9.432  -6.475
  224    HA   LEU  29           HA       LEU  29  59.768  11.810  -7.984
  225   1HB   LEU  29           HB2      LEU  29  57.958   9.450  -7.552
  226   2HB   LEU  29           HB1      LEU  29  57.406  10.777  -8.575
  227    HG   LEU  29           HG       LEU  29  60.151   9.646  -9.007
  228   1HD1  LEU  29          HD11      LEU  29  58.225   7.840  -8.899
  229   2HD1  LEU  29          HD13      LEU  29  57.803   8.498 -10.480
  230   3HD1  LEU  29          HD12      LEU  29  59.402   7.802 -10.212
  231   1HD2  LEU  29          HD21      LEU  29  58.013  10.857 -10.792
  232   2HD2  LEU  29          HD23      LEU  29  59.479  11.660 -10.228
  233   3HD2  LEU  29          HD22      LEU  29  59.592  10.304 -11.350
  234    H    GLY  30           HN       GLY  30  59.593  13.601  -6.460
  235   1HA   GLY  30           HA2      GLY  30  58.251  15.327  -5.554
  236   2HA   GLY  30           HA1      GLY  30  56.825  14.337  -5.874
  237    H    ALA  31           HN       ALA  31  59.454  12.873  -4.167
  238    HA   ALA  31           HA       ALA  31  57.982  11.982  -1.961
  239   1HB   ALA  31           HB2      ALA  31  60.810  12.455  -2.686
  240   2HB   ALA  31           HB1      ALA  31  60.504  12.347  -0.952
  241   3HB   ALA  31           HB3      ALA  31  60.050  11.013  -2.013
  242    H    GLU  32           HN       GLU  32  58.733  12.780   0.415
  243    HA   GLU  32           HA       GLU  32  57.545  15.391   0.797
  244   1HB   GLU  32           HB2      GLU  32  59.175  13.644   2.671
  245   2HB   GLU  32           HB1      GLU  32  58.038  14.907   3.148
  246   1HG   GLU  32           HG2      GLU  32  56.239  13.621   1.920
  247   2HG   GLU  32           HG1      GLU  32  57.400  12.306   1.734
  248    H    ASP  33           HN       ASP  33  60.889  14.159   0.878
  249    HA   ASP  33           HA       ASP  33  61.865  16.955   0.564
  250   1HB   ASP  33           HB2      ASP  33  63.499  16.507   2.426
  251   2HB   ASP  33           HB1      ASP  33  61.820  16.541   2.964
  252    H    GLY  34           HN       GLY  34  61.759  14.456  -1.129
  253   1HA   GLY  34           HA2      GLY  34  63.233  13.651  -2.801
  254   2HA   GLY  34           HA1      GLY  34  64.544  14.545  -2.031
  255    H    CYS  35           HN       CYS  35  62.385  12.172  -0.513
  256    HA   CYS  35           HA       CYS  35  64.775  10.407  -0.086
  257   1HB   CYS  35           HB2      CYS  35  62.883  11.725   1.740
  258   2HB   CYS  35           HB1      CYS  35  63.086  10.004   2.064
  259    HG   CYS  35           HG       CYS  35  64.971  11.630   3.230
  260    H    ILE  36           HN       ILE  36  63.980   8.119   0.587
  261    HA   ILE  36           HA       ILE  36  61.669   7.373  -1.170
  262    HB   ILE  36           HB       ILE  36  63.782   5.476  -0.161
  263   1HG1  ILE  36          HG12      ILE  36  64.092   7.391  -2.501
  264   2HG1  ILE  36          HG11      ILE  36  65.028   7.434  -1.006
  265   1HG2  ILE  36          HG22      ILE  36  61.713   5.580  -2.243
  266   2HG2  ILE  36          HG21      ILE  36  63.271   5.007  -2.837
  267   3HG2  ILE  36          HG23      ILE  36  62.482   4.182  -1.490
  268   1HD1  ILE  36          HD13      ILE  36  64.964   4.841  -2.466
  269   2HD1  ILE  36          HD12      ILE  36  65.893   6.145  -3.205
  270   3HD1  ILE  36          HD11      ILE  36  66.285   5.598  -1.575
  271    H    SER  37           HN       SER  37  59.949   7.442   0.317
  272    HA   SER  37           HA       SER  37  60.081   6.579   3.049
  273   1HB   SER  37           HB2      SER  37  58.293   7.824   1.329
  274   2HB   SER  37           HB1      SER  37  57.495   6.296   1.694
  275    HG   SER  37           HG       SER  37  58.675   7.865   3.721
  276    H    THR  38           HN       THR  38  59.277   4.602   3.988
  277    HA   THR  38           HA       THR  38  60.023   2.170   2.787
  278    HB   THR  38           HB       THR  38  58.572   1.188   4.567
  279    HG1  THR  38           HG1      THR  38  57.365   2.657   5.823
  280   1HG2  THR  38          HG22      THR  38  60.754   2.947   4.868
  281   2HG2  THR  38          HG21      THR  38  59.608   3.377   6.138
  282   3HG2  THR  38          HG23      THR  38  60.206   1.722   6.013
  283    H    LYS  39           HN       LYS  39  56.825   3.761   2.806
  284    HA   LYS  39           HA       LYS  39  55.234   1.815   1.584
  285   1HB   LYS  39           HB2      LYS  39  55.361   4.816   1.130
  286   2HB   LYS  39           HB1      LYS  39  53.988   3.797   0.692
  287   1HG   LYS  39           HG2      LYS  39  53.644   3.170   3.013
  288   2HG   LYS  39           HG1      LYS  39  55.107   4.025   3.500
  289   1HD   LYS  39           HD2      LYS  39  53.477   5.850   2.025
  290   2HD   LYS  39           HD1      LYS  39  52.459   5.070   3.237
  291   1HE   LYS  39           HE2      LYS  39  54.804   5.592   4.638
  292   2HE   LYS  39           HE1      LYS  39  54.602   7.029   3.617
  293   1HZ   LYS  39           HZ1      LYS  39  52.225   7.033   4.291
  294   2HZ   LYS  39           HZ3      LYS  39  52.576   5.812   5.416
  295   3HZ   LYS  39           HZ2      LYS  39  53.296   7.344   5.573
  296    H    GLU  40           HN       GLU  40  57.754   3.816   0.156
  297    HA   GLU  40           HA       GLU  40  57.096   2.928  -2.594
  298   1HB   GLU  40           HB2      GLU  40  58.650   5.016  -1.228
  299   2HB   GLU  40           HB1      GLU  40  59.488   4.334  -2.622
  300   1HG   GLU  40           HG2      GLU  40  58.242   5.872  -3.769
  301   2HG   GLU  40           HG1      GLU  40  57.005   4.618  -3.669
  302    H    LEU  41           HN       LEU  41  59.407   2.300  -0.015
  303    HA   LEU  41           HA       LEU  41  61.516   1.021  -1.323
  304   1HB   LEU  41           HB2      LEU  41  61.232   1.480   1.125
  305   2HB   LEU  41           HB1      LEU  41  60.096   0.134   1.210
  306    HG   LEU  41           HG       LEU  41  62.521  -0.383   1.861
  307   1HD1  LEU  41          HD13      LEU  41  60.565  -1.882   0.501
  308   2HD1  LEU  41          HD12      LEU  41  62.089  -2.259  -0.303
  309   3HD1  LEU  41          HD11      LEU  41  61.923  -2.511   1.434
  310   1HD2  LEU  41          HD23      LEU  41  63.420   0.956  -0.123
  311   2HD2  LEU  41          HD22      LEU  41  64.136  -0.639   0.112
  312   3HD2  LEU  41          HD21      LEU  41  62.918  -0.395  -1.141
  313    H    GLY  42           HN       GLY  42  58.301  -0.298  -0.542
  314   1HA   GLY  42           HA2      GLY  42  58.796  -2.995  -1.304
  315   2HA   GLY  42           HA1      GLY  42  57.211  -2.220  -1.336
  316    H    LYS  43           HN       LYS  43  57.427  -0.304  -3.236
  317    HA   LYS  43           HA       LYS  43  57.264  -1.735  -5.705
  318   1HB   LYS  43           HB2      LYS  43  57.119   1.012  -4.680
  319   2HB   LYS  43           HB1      LYS  43  57.736   0.929  -6.331
  320   1HG   LYS  43           HG2      LYS  43  55.439  -0.838  -5.859
  321   2HG   LYS  43           HG1      LYS  43  55.066   0.872  -5.636
  322   1HD   LYS  43           HD2      LYS  43  54.980   1.114  -7.870
  323   2HD   LYS  43           HD1      LYS  43  56.691   0.690  -7.954
  324   1HE   LYS  43           HE2      LYS  43  56.149  -1.259  -8.970
  325   2HE   LYS  43           HE1      LYS  43  55.177  -1.723  -7.558
  326   1HZ   LYS  43           HZ1      LYS  43  54.266   0.131  -9.695
  327   2HZ   LYS  43           HZ3      LYS  43  53.839  -1.508  -9.608
  328   3HZ   LYS  43           HZ2      LYS  43  53.345  -0.437  -8.385
  329    H    VAL  44           HN       VAL  44  59.916  -0.001  -4.136
  330    HA   VAL  44           HA       VAL  44  61.711   0.123  -6.368
  331    HB   VAL  44           HB       VAL  44  62.278  -0.139  -3.396
  332   1HG1  VAL  44          HG11      VAL  44  63.931   0.314  -5.755
  333   2HG1  VAL  44          HG13      VAL  44  64.071   1.636  -4.596
  334   3HG1  VAL  44          HG12      VAL  44  64.421  -0.019  -4.093
  335   1HG2  VAL  44          HG22      VAL  44  60.923   1.912  -4.929
  336   2HG2  VAL  44          HG21      VAL  44  61.195   1.830  -3.188
  337   3HG2  VAL  44          HG23      VAL  44  62.414   2.550  -4.238
  338    H    MET  45           HN       MET  45  61.121  -2.366  -3.896
  339    HA   MET  45           HA       MET  45  63.304  -4.095  -4.683
  340   1HB   MET  45           HB2      MET  45  60.710  -4.467  -3.157
  341   2HB   MET  45           HB1      MET  45  61.924  -5.739  -3.310
  342   1HG   MET  45           HG2      MET  45  63.038  -3.147  -2.482
  343   2HG   MET  45           HG1      MET  45  61.889  -3.824  -1.328
  344   1HE   MET  45           HE1      MET  45  64.937  -3.120  -1.763
  345   2HE   MET  45           HE3      MET  45  65.981  -4.355  -1.045
  346   3HE   MET  45           HE2      MET  45  65.688  -4.344  -2.783
  347    H    ARG  46           HN       ARG  46  59.800  -4.081  -5.409
  348    HA   ARG  46           HA       ARG  46  59.547  -6.417  -6.909
  349   1HB   ARG  46           HB2      ARG  46  58.340  -3.679  -6.950
  350   2HB   ARG  46           HB1      ARG  46  57.926  -4.781  -8.264
  351   1HG   ARG  46           HG2      ARG  46  57.499  -6.507  -6.346
  352   2HG   ARG  46           HG1      ARG  46  57.396  -5.078  -5.318
  353   1HD   ARG  46           HD2      ARG  46  55.638  -4.140  -6.796
  354   2HD   ARG  46           HD1      ARG  46  55.725  -5.599  -7.803
  355    HE   ARG  46           HE       ARG  46  55.252  -6.822  -5.534
  356   1HH1  ARG  46          HH21      ARG  46  54.530  -5.272  -3.506
  357   2HH1  ARG  46          HH22      ARG  46  52.939  -4.653  -3.802
  358   1HH2  ARG  46          HH11      ARG  46  53.013  -5.353  -7.198
  359   2HH2  ARG  46          HH12      ARG  46  52.079  -4.701  -5.894
  360    H    MET  47           HN       MET  47  60.439  -3.193  -8.227
  361    HA   MET  47           HA       MET  47  61.113  -4.292 -10.839
  362   1HB   MET  47           HB2      MET  47  61.750  -1.984 -11.297
  363   2HB   MET  47           HB1      MET  47  60.265  -1.979 -10.346
  364   1HG   MET  47           HG2      MET  47  61.690  -1.708  -8.281
  365   2HG   MET  47           HG1      MET  47  63.079  -1.483  -9.345
  366   1HE   MET  47           HE2      MET  47  63.071   0.129 -11.317
  367   2HE   MET  47           HE1      MET  47  62.791   1.823 -10.924
  368   3HE   MET  47           HE3      MET  47  63.866   0.843  -9.916
  369    H    LEU  48           HN       LEU  48  63.013  -3.097  -8.047
  370    HA   LEU  48           HA       LEU  48  65.618  -3.239  -8.995
  371   1HB   LEU  48           HB2      LEU  48  64.239  -3.858  -6.413
  372   2HB   LEU  48           HB1      LEU  48  65.946  -4.279  -6.549
  373    HG   LEU  48           HG       LEU  48  64.871  -1.539  -7.252
  374   1HD1  LEU  48          HD11      LEU  48  65.848  -2.678  -4.636
  375   2HD1  LEU  48          HD13      LEU  48  66.023  -0.962  -4.999
  376   3HD1  LEU  48          HD12      LEU  48  64.419  -1.690  -4.941
  377   1HD2  LEU  48          HD21      LEU  48  67.533  -2.872  -7.128
  378   2HD2  LEU  48          HD23      LEU  48  66.966  -1.595  -8.203
  379   3HD2  LEU  48          HD22      LEU  48  67.456  -1.207  -6.554
  380    H    GLY  49           HN       GLY  49  63.816  -5.994  -7.585
  381   1HA   GLY  49           HA2      GLY  49  64.072  -8.062  -9.193
  382   2HA   GLY  49           HA1      GLY  49  65.785  -7.845  -8.829
  383    H    GLN  50           HN       GLN  50  63.156  -7.326  -6.514
  384    HA   GLN  50           HA       GLN  50  63.929  -9.840  -5.097
  385   1HB   GLN  50           HB2      GLN  50  63.886  -7.009  -4.013
  386   2HB   GLN  50           HB1      GLN  50  64.023  -8.444  -2.996
  387   1HG   GLN  50           HG2      GLN  50  66.265  -8.061  -3.294
  388   2HG   GLN  50           HG1      GLN  50  65.981  -8.982  -4.772
  389   1HE2  GLN  50          HE22      GLN  50  67.619  -6.035  -6.112
  390   2HE2  GLN  50          HE21      GLN  50  67.980  -7.540  -5.412
  391    H    ASN  51           HN       ASN  51  62.321 -10.357  -3.346
  392    HA   ASN  51           HA       ASN  51  59.632  -9.135  -3.849
  393   1HB   ASN  51           HB2      ASN  51  60.293 -11.447  -4.950
  394   2HB   ASN  51           HB1      ASN  51  59.984 -12.072  -3.329
  395   1HD2  ASN  51          HD22      ASN  51  56.640 -12.337  -4.620
  396   2HD2  ASN  51          HD21      ASN  51  58.079 -13.210  -4.393
  397    HA   PRO  52           HA       PRO  52  60.769  -9.414   0.658
  398   1HB   PRO  52           HB2      PRO  52  60.180  -6.799   1.229
  399   2HB   PRO  52           HB1      PRO  52  61.778  -7.334   0.671
  400   1HG   PRO  52           HG2      PRO  52  59.568  -6.056  -0.864
  401   2HG   PRO  52           HG1      PRO  52  61.316  -5.794  -0.971
  402   1HD   PRO  52           HD2      PRO  52  59.928  -7.310  -2.752
  403   2HD   PRO  52           HD1      PRO  52  61.637  -7.599  -2.354
  404    H    THR  53           HN       THR  53  59.223  -9.470   2.394
  405    HA   THR  53           HA       THR  53  56.446  -9.793   1.560
  406    HB   THR  53           HB       THR  53  56.614  -9.822   4.354
  407    HG1  THR  53           HG1      THR  53  58.881 -11.162   3.408
  408   1HG2  THR  53          HG22      THR  53  56.436 -11.708   2.126
  409   2HG2  THR  53          HG21      THR  53  57.211 -12.405   3.549
  410   3HG2  THR  53          HG23      THR  53  55.592 -11.716   3.674
  411    HA   PRO  54           HA       PRO  54  54.825  -5.890   2.729
  412   1HB   PRO  54           HB2      PRO  54  52.568  -6.521   4.141
  413   2HB   PRO  54           HB1      PRO  54  52.702  -6.740   2.384
  414   1HG   PRO  54           HG2      PRO  54  52.912  -8.748   4.563
  415   2HG   PRO  54           HG1      PRO  54  52.204  -8.902   2.949
  416   1HD   PRO  54           HD2      PRO  54  54.675  -9.870   3.650
  417   2HD   PRO  54           HD1      PRO  54  54.201  -9.447   1.990
  418    H    GLU  55           HN       GLU  55  54.711  -8.154   5.505
  419    HA   GLU  55           HA       GLU  55  54.805  -6.082   7.521
  420   1HB   GLU  55           HB2      GLU  55  55.104  -9.054   7.331
  421   2HB   GLU  55           HB1      GLU  55  55.647  -8.265   8.813
  422   1HG   GLU  55           HG2      GLU  55  53.526  -7.689   9.445
  423   2HG   GLU  55           HG1      GLU  55  52.999  -7.405   7.785
  424    H    GLU  56           HN       GLU  56  57.236  -7.774   5.644
  425    HA   GLU  56           HA       GLU  56  59.477  -7.103   7.391
  426   1HB   GLU  56           HB2      GLU  56  59.030  -8.269   4.656
  427   2HB   GLU  56           HB1      GLU  56  60.660  -7.806   5.142
  428   1HG   GLU  56           HG2      GLU  56  58.869  -9.618   6.781
  429   2HG   GLU  56           HG1      GLU  56  60.087 -10.207   5.649
  430    H    LEU  57           HN       LEU  57  57.956  -5.674   4.528
  431    HA   LEU  57           HA       LEU  57  59.825  -3.889   3.561
  432   1HB   LEU  57           HB2      LEU  57  57.093  -4.269   3.424
  433   2HB   LEU  57           HB1      LEU  57  57.215  -2.650   4.115
  434    HG   LEU  57           HG       LEU  57  59.099  -2.472   2.174
  435   1HD1  LEU  57          HD11      LEU  57  57.250  -4.686   1.455
  436   2HD1  LEU  57          HD13      LEU  57  57.601  -3.516   0.184
  437   3HD1  LEU  57          HD12      LEU  57  58.917  -4.405   0.952
  438   1HD2  LEU  57          HD23      LEU  57  56.203  -1.823   2.367
  439   2HD2  LEU  57          HD22      LEU  57  57.578  -0.754   2.092
  440   3HD2  LEU  57          HD21      LEU  57  56.921  -1.704   0.761
  441    H    GLN  58           HN       GLN  58  57.543  -2.933   6.165
  442    HA   GLN  58           HA       GLN  58  59.192  -0.651   6.913
  443   1HB   GLN  58           HB2      GLN  58  56.787  -0.567   7.105
  444   2HB   GLN  58           HB1      GLN  58  56.764  -2.028   8.094
  445   1HG   GLN  58           HG2      GLN  58  56.518  -0.122   9.569
  446   2HG   GLN  58           HG1      GLN  58  58.127  -0.800   9.815
  447   1HE2  GLN  58          HE22      GLN  58  59.755   2.170   8.865
  448   2HE2  GLN  58          HE21      GLN  58  59.862   0.637   9.587
  449    H    GLU  59           HN       GLU  59  59.140  -3.999   7.798
  450    HA   GLU  59           HA       GLU  59  60.204  -3.713  10.485
  451   1HB   GLU  59           HB2      GLU  59  58.959  -5.675   9.418
  452   2HB   GLU  59           HB1      GLU  59  60.467  -6.059   8.590
  453   1HG   GLU  59           HG2      GLU  59  61.153  -7.154  10.431
  454   2HG   GLU  59           HG1      GLU  59  61.136  -5.623  11.307
  455    H    MET  60           HN       MET  60  61.724  -4.736   7.396
  456    HA   MET  60           HA       MET  60  64.407  -4.764   8.405
  457   1HB   MET  60           HB2      MET  60  62.946  -4.984   5.874
  458   2HB   MET  60           HB1      MET  60  64.529  -4.231   5.677
  459   1HG   MET  60           HG2      MET  60  64.456  -6.609   7.442
  460   2HG   MET  60           HG1      MET  60  64.158  -6.919   5.732
  461   1HE   MET  60           HE1      MET  60  66.277  -8.151   7.285
  462   2HE   MET  60           HE3      MET  60  66.584  -8.393   5.559
  463   3HE   MET  60           HE2      MET  60  67.882  -7.853   6.622
  464    H    ILE  61           HN       ILE  61  62.380  -2.191   7.097
  465    HA   ILE  61           HA       ILE  61  64.579  -0.288   6.772
  466    HB   ILE  61           HB       ILE  61  61.556  -0.198   6.713
  467   1HG1  ILE  61          HG12      ILE  61  63.536   0.433   4.518
  468   2HG1  ILE  61          HG11      ILE  61  63.017  -1.222   4.845
  469   1HG2  ILE  61          HG23      ILE  61  63.522   2.021   6.853
  470   2HG2  ILE  61          HG22      ILE  61  62.288   2.166   5.602
  471   3HG2  ILE  61          HG21      ILE  61  61.815   2.000   7.293
  472   1HD1  ILE  61          HD11      ILE  61  60.642   0.253   4.815
  473   2HD1  ILE  61          HD13      ILE  61  61.587   0.919   3.483
  474   3HD1  ILE  61          HD12      ILE  61  61.229  -0.807   3.534
  475    H    ASP  62           HN       ASP  62  62.520  -1.316   9.370
  476    HA   ASP  62           HA       ASP  62  62.840   1.142  10.955
  477   1HB   ASP  62           HB2      ASP  62  60.818  -0.331  10.958
  478   2HB   ASP  62           HB1      ASP  62  61.794  -1.617  11.669
  479    H    GLU  63           HN       GLU  63  64.834  -1.486  10.262
  480    HA   GLU  63           HA       GLU  63  66.244  -1.230  12.901
  481   1HB   GLU  63           HB2      GLU  63  67.024  -3.541  12.424
  482   2HB   GLU  63           HB1      GLU  63  65.262  -3.443  12.446
  483   1HG   GLU  63           HG2      GLU  63  65.095  -3.602  10.112
  484   2HG   GLU  63           HG1      GLU  63  66.767  -3.096   9.863
  485    H    VAL  64           HN       VAL  64  66.426  -0.370   9.664
  486    HA   VAL  64           HA       VAL  64  69.423  -0.470   9.665
  487    HB   VAL  64           HB       VAL  64  68.081  -1.675   7.883
  488   1HG1  VAL  64          HG13      VAL  64  66.734   0.821   7.829
  489   2HG1  VAL  64          HG12      VAL  64  67.562   0.659   6.281
  490   3HG1  VAL  64          HG11      VAL  64  66.431  -0.586   6.810
  491   1HG2  VAL  64          HG23      VAL  64  70.445  -0.330   7.700
  492   2HG2  VAL  64          HG22      VAL  64  69.769  -1.295   6.388
  493   3HG2  VAL  64          HG21      VAL  64  69.529   0.452   6.412
  494    H    ASP  65           HN       ASP  65  66.661   1.616   9.731
  495    HA   ASP  65           HA       ASP  65  67.700   3.978   8.520
  496   1HB   ASP  65           HB2      ASP  65  65.344   3.326   9.411
  497   2HB   ASP  65           HB1      ASP  65  65.931   3.917  10.966
  498    H    GLU  66           HN       GLU  66  69.836   4.487   9.129
  499    HA   GLU  66           HA       GLU  66  70.836   4.350  11.831
  500   1HB   GLU  66           HB2      GLU  66  71.882   4.574   9.342
  501   2HB   GLU  66           HB1      GLU  66  71.997   6.256   9.863
  502   1HG   GLU  66           HG2      GLU  66  73.284   5.643  11.809
  503   2HG   GLU  66           HG1      GLU  66  73.009   3.926  11.513
  504    H    ASP  67           HN       ASP  67  69.948   7.173   9.800
  505    HA   ASP  67           HA       ASP  67  70.105   9.025  12.039
  506   1HB   ASP  67           HB2      ASP  67  69.407  10.625  10.368
  507   2HB   ASP  67           HB1      ASP  67  70.497   9.485   9.577
  508    H    GLY  68           HN       GLY  68  67.801   6.725  11.139
  509   1HA   GLY  68           HA2      GLY  68  65.516   6.450  11.636
  510   2HA   GLY  68           HA1      GLY  68  65.946   7.260  13.143
  511    H    SER  69           HN       SER  69  66.057   8.649   9.878
  512    HA   SER  69           HA       SER  69  64.630  11.027  10.749
  513   1HB   SER  69           HB2      SER  69  64.821  11.519   8.262
  514   2HB   SER  69           HB1      SER  69  66.347  11.154   9.062
  515    HG   SER  69           HG       SER  69  64.770   9.537   7.367
  516    H    GLY  70           HN       GLY  70  63.598   7.935   9.801
  517   1HA   GLY  70           HA2      GLY  70  61.210   7.392   9.929
  518   2HA   GLY  70           HA1      GLY  70  60.856   8.999   9.293
  519    H    THR  71           HN       THR  71  62.921   8.874   7.221
  520    HA   THR  71           HA       THR  71  61.598   6.899   5.389
  521    HB   THR  71           HB       THR  71  62.220   8.597   3.636
  522    HG1  THR  71           HG1      THR  71  62.761  10.693   4.574
  523   1HG2  THR  71          HG21      THR  71  60.007   8.529   4.951
  524   2HG2  THR  71          HG23      THR  71  60.649   9.900   5.857
  525   3HG2  THR  71          HG22      THR  71  60.399  10.032   4.116
  526    H    VAL  72           HN       VAL  72  63.110   6.273   3.515
  527    HA   VAL  72           HA       VAL  72  65.809   5.661   4.634
  528    HB   VAL  72           HB       VAL  72  64.544   4.507   2.143
  529   1HG1  VAL  72          HG12      VAL  72  66.587   3.619   4.183
  530   2HG1  VAL  72          HG11      VAL  72  65.821   2.478   3.078
  531   3HG1  VAL  72          HG13      VAL  72  66.793   3.806   2.441
  532   1HG2  VAL  72          HG21      VAL  72  63.560   4.322   4.879
  533   2HG2  VAL  72          HG23      VAL  72  62.841   3.700   3.394
  534   3HG2  VAL  72          HG22      VAL  72  64.036   2.740   4.264
  535    H    ASP  73           HN       ASP  73  67.422   7.007   3.934
  536    HA   ASP  73           HA       ASP  73  67.086   8.528   1.412
  537   1HB   ASP  73           HB2      ASP  73  68.028   9.154   3.878
  538   2HB   ASP  73           HB1      ASP  73  69.539   8.728   3.074
  539    H    PHE  74           HN       PHE  74  69.714   8.790   0.587
  540    HA   PHE  74           HA       PHE  74  70.164   6.305  -0.842
  541   1HB   PHE  74           HB2      PHE  74  70.595   8.648  -1.654
  542   2HB   PHE  74           HB1      PHE  74  71.942   8.743  -0.519
  543    HD1  PHE  74           HD1      PHE  74  70.601   6.598  -3.285
  544    HD2  PHE  74           HD2      PHE  74  74.066   8.004  -1.171
  545    HE1  PHE  74           HE1      PHE  74  72.065   5.440  -4.916
  546    HE2  PHE  74           HE2      PHE  74  75.531   6.847  -2.803
  547    HZ   PHE  74           HZ       PHE  74  74.532   5.564  -4.676
  548    H    ASP  75           HN       ASP  75  71.201   7.520   2.220
  549    HA   ASP  75           HA       ASP  75  73.657   5.885   2.324
  550   1HB   ASP  75           HB2      ASP  75  72.548   8.163   3.613
  551   2HB   ASP  75           HB1      ASP  75  72.762   6.930   4.855
  552    H    GLU  76           HN       GLU  76  70.429   5.921   3.854
  553    HA   GLU  76           HA       GLU  76  70.928   3.405   5.286
  554   1HB   GLU  76           HB2      GLU  76  68.402   5.024   4.818
  555   2HB   GLU  76           HB1      GLU  76  68.630   3.792   6.060
  556   1HG   GLU  76           HG2      GLU  76  69.511   5.333   7.437
  557   2HG   GLU  76           HG1      GLU  76  70.789   5.649   6.264
  558    H    PHE  77           HN       PHE  77  69.311   4.463   2.334
  559    HA   PHE  77           HA       PHE  77  67.737   2.182   1.754
  560   1HB   PHE  77           HB2      PHE  77  67.655   4.296   0.521
  561   2HB   PHE  77           HB1      PHE  77  69.309   4.057  -0.046
  562    HD1  PHE  77           HD2      PHE  77  66.626   1.494   0.286
  563    HD2  PHE  77           HD1      PHE  77  69.019   3.845  -2.396
  564    HE1  PHE  77           HE2      PHE  77  65.779   0.169  -1.630
  565    HE2  PHE  77           HE1      PHE  77  68.172   2.519  -4.314
  566    HZ   PHE  77           HZ       PHE  77  66.553   0.681  -3.931
  567    H    LEU  78           HN       LEU  78  71.205   2.760   1.301
  568    HA   LEU  78           HA       LEU  78  71.715   0.394  -0.287
  569   1HB   LEU  78           HB2      LEU  78  73.215   2.512   1.170
  570   2HB   LEU  78           HB1      LEU  78  74.094   1.020   0.835
  571    HG   LEU  78           HG       LEU  78  72.635   2.716  -1.215
  572   1HD1  LEU  78          HD13      LEU  78  75.537   2.351  -0.471
  573   2HD1  LEU  78          HD12      LEU  78  75.068   2.880  -2.086
  574   3HD1  LEU  78          HD11      LEU  78  74.638   3.854  -0.681
  575   1HD2  LEU  78          HD23      LEU  78  73.738  -0.028  -1.228
  576   2HD2  LEU  78          HD22      LEU  78  72.533   0.705  -2.288
  577   3HD2  LEU  78          HD21      LEU  78  74.251   0.977  -2.583
  578    H    VAL  79           HN       VAL  79  72.251   1.139   3.184
  579    HA   VAL  79           HA       VAL  79  73.339  -1.268   4.069
  580    HB   VAL  79           HB       VAL  79  71.158   0.368   5.406
  581   1HG1  VAL  79          HG12      VAL  79  73.344  -1.456   6.440
  582   2HG1  VAL  79          HG11      VAL  79  72.479  -0.315   7.471
  583   3HG1  VAL  79          HG13      VAL  79  71.604  -1.623   6.674
  584   1HG2  VAL  79          HG23      VAL  79  74.060   0.863   4.864
  585   2HG2  VAL  79          HG22      VAL  79  72.719   2.007   4.905
  586   3HG2  VAL  79          HG21      VAL  79  73.404   1.397   6.412
  587    H    MET  80           HN       MET  80  69.843  -0.533   3.719
  588    HA   MET  80           HA       MET  80  68.767  -2.987   4.563
  589   1HB   MET  80           HB2      MET  80  67.973  -0.638   3.191
  590   2HB   MET  80           HB1      MET  80  67.429  -1.994   2.200
  591   1HG   MET  80           HG2      MET  80  66.959  -2.455   5.046
  592   2HG   MET  80           HG1      MET  80  66.140  -1.007   4.463
  593   1HE   MET  80           HE3      MET  80  65.464  -1.255   1.711
  594   2HE   MET  80           HE2      MET  80  63.953  -2.154   1.587
  595   3HE   MET  80           HE1      MET  80  64.153  -0.952   2.860
  596    H    MET  81           HN       MET  81  69.937  -2.091   1.305
  597    HA   MET  81           HA       MET  81  69.366  -4.561   0.003
  598   1HB   MET  81           HB2      MET  81  71.147  -2.195  -0.359
  599   2HB   MET  81           HB1      MET  81  71.514  -3.623  -1.327
  600   1HG   MET  81           HG2      MET  81  68.655  -3.033  -1.283
  601   2HG   MET  81           HG1      MET  81  69.601  -1.692  -1.929
  602   1HE   MET  81           HE1      MET  81  67.434  -3.735  -3.005
  603   2HE   MET  81           HE3      MET  81  67.902  -2.568  -4.249
  604   3HE   MET  81           HE2      MET  81  67.914  -4.295  -4.605
  605    H    VAL  82           HN       VAL  82  72.567  -3.425   1.166
  606    HA   VAL  82           HA       VAL  82  73.972  -5.850   0.899
  607    HB   VAL  82           HB       VAL  82  75.004  -3.693   1.393
  608   1HG1  VAL  82          HG13      VAL  82  73.457  -3.936   3.984
  609   2HG1  VAL  82          HG12      VAL  82  74.769  -2.782   3.747
  610   3HG1  VAL  82          HG11      VAL  82  73.309  -2.671   2.762
  611   1HG2  VAL  82          HG23      VAL  82  75.502  -6.098   2.939
  612   2HG2  VAL  82          HG22      VAL  82  76.661  -4.946   2.275
  613   3HG2  VAL  82          HG21      VAL  82  75.944  -4.662   3.862
  614    H    ARG  83           HN       ARG  83  71.734  -4.812   3.416
  615    HA   ARG  83           HA       ARG  83  72.393  -6.924   5.302
  616   1HB   ARG  83           HB2      ARG  83  70.262  -4.844   4.911
  617   2HB   ARG  83           HB1      ARG  83  70.019  -6.102   6.123
  618   1HG   ARG  83           HG2      ARG  83  72.577  -5.381   6.687
  619   2HG   ARG  83           HG1      ARG  83  71.937  -3.844   6.104
  620   1HD   ARG  83           HD2      ARG  83  69.955  -4.220   7.688
  621   2HD   ARG  83           HD1      ARG  83  70.924  -5.515   8.419
  622    HE   ARG  83           HE       ARG  83  72.363  -2.979   8.088
  623   1HH1  ARG  83          HH11      ARG  83  69.806  -4.146   9.972
  624   2HH1  ARG  83          HH12      ARG  83  70.539  -3.769  11.495
  625   1HH2  ARG  83          HH21      ARG  83  73.575  -2.838  10.104
  626   2HH2  ARG  83          HH22      ARG  83  72.673  -3.029  11.569
  627    H    CYS  84           HN       CYS  84  70.316  -6.666   2.498
  628    HA   CYS  84           HA       CYS  84  68.794  -9.108   3.219
  629   1HB   CYS  84           HB2      CYS  84  67.603  -7.227   2.251
  630   2HB   CYS  84           HB1      CYS  84  68.735  -7.152   0.901
  631    HG   CYS  84           HG       CYS  84  67.379  -8.864  -0.252
  632    H    MET  85           HN       MET  85  71.380  -8.057   1.065
  633    HA   MET  85           HA       MET  85  71.380 -10.642  -0.383
  634   1HB   MET  85           HB2      MET  85  73.072  -9.516  -1.748
  635   2HB   MET  85           HB1      MET  85  71.706  -8.428  -1.500
  636   1HG   MET  85           HG2      MET  85  72.878  -7.185   0.173
  637   2HG   MET  85           HG1      MET  85  74.148  -8.403   0.286
  638   1HE   MET  85           HE1      MET  85  72.771  -5.359  -1.180
  639   2HE   MET  85           HE3      MET  85  73.558  -5.070  -2.738
  640   3HE   MET  85           HE2      MET  85  72.307  -6.302  -2.595
  641    H    LYS  86           HN       LYS  86  73.021  -9.071   2.260
  642    HA   LYS  86           HA       LYS  86  75.279 -11.002   2.181
  643   1HB   LYS  86           HB2      LYS  86  75.389  -8.457   2.633
  644   2HB   LYS  86           HB1      LYS  86  74.728  -8.843   4.223
  645   1HG   LYS  86           HG2      LYS  86  76.657 -10.621   4.292
  646   2HG   LYS  86           HG1      LYS  86  77.384  -9.609   3.043
  647   1HD   LYS  86           HD2      LYS  86  78.175  -8.319   4.718
  648   2HD   LYS  86           HD1      LYS  86  76.512  -7.784   4.962
  649   1HE   LYS  86           HE2      LYS  86  76.274  -9.957   6.402
  650   2HE   LYS  86           HE1      LYS  86  78.047  -9.902   6.459
  651   1HZ   LYS  86           HZ1      LYS  86  76.768  -7.342   6.835
  652   2HZ   LYS  86           HZ3      LYS  86  76.422  -8.459   8.063
  653   3HZ   LYS  86           HZ2      LYS  86  78.034  -8.060   7.710
  654    H    ASP  87           HN       ASP  87  72.393 -11.737   2.865
  655    HA   ASP  87           HA       ASP  87  72.829 -12.703   5.672
  656   1HB   ASP  87           HB2      ASP  87  70.625 -11.513   4.182
  657   2HB   ASP  87           HB1      ASP  87  70.145 -13.036   4.930
  658    H    ASP  88           HN       ASP  88  74.020 -14.613   4.983
  659    HA   ASP  88           HA       ASP  88  72.299 -16.659   3.619
  660   1HB   ASP  88           HB2      ASP  88  75.263 -16.067   3.369
  661   2HB   ASP  88           HB1      ASP  88  74.487 -17.489   2.670
  662    H    SER  89           HN       SER  89  74.109 -18.801   3.984
  663    HA   SER  89           HA       SER  89  74.124 -19.061   6.974
  664   1HB   SER  89           HB2      SER  89  72.685 -20.742   6.454
  665   2HB   SER  89           HB1      SER  89  73.100 -20.663   4.744
  666    HG   SER  89           HG       SER  89  73.924 -22.398   6.625
   
  No H/Q in entry =         666
  Start of MODEL    3
    1   1H    MET   1           HT3      MET   1  78.751  -1.652  19.552
    2   2H    MET   1           HT2      MET   1  80.277  -1.406  20.257
    3   3H    MET   1           HT1      MET   1  79.145  -0.138  20.207
    4    HA   MET   1           HA       MET   1  79.502   0.305  17.996
    5   1HB   MET   1           HB2      MET   1  81.605   0.135  19.705
    6   2HB   MET   1           HB1      MET   1  82.167  -0.937  18.421
    7   1HG   MET   1           HG2      MET   1  82.868   0.977  17.419
    8   2HG   MET   1           HG1      MET   1  81.172   1.171  16.976
    9   1HE   MET   1           HE3      MET   1  82.740   3.473  16.799
   10   2HE   MET   1           HE2      MET   1  81.022   3.845  16.908
   11   3HE   MET   1           HE1      MET   1  82.178   4.763  17.870
   12    H    ASP   2           HN       ASP   2  80.755  -0.577  15.925
   13    HA   ASP   2           HA       ASP   2  80.904  -3.443  15.540
   14   1HB   ASP   2           HB2      ASP   2  78.845  -3.578  14.108
   15   2HB   ASP   2           HB1      ASP   2  78.484  -3.228  15.798
   16    H    ASP   3           HN       ASP   3  81.594  -3.943  13.353
   17    HA   ASP   3           HA       ASP   3  81.997  -1.609  11.535
   18   1HB   ASP   3           HB2      ASP   3  83.944  -2.148  13.170
   19   2HB   ASP   3           HB1      ASP   3  84.204  -3.570  12.159
   20    H    ILE   4           HN       ILE   4  80.622  -4.498  11.802
   21    HA   ILE   4           HA       ILE   4  81.700  -5.909   9.473
   22    HB   ILE   4           HB       ILE   4  79.038  -6.316  10.852
   23   1HG1  ILE   4          HG12      ILE   4  80.957  -7.996  12.042
   24   2HG1  ILE   4          HG11      ILE   4  81.698  -6.395  12.009
   25   1HG2  ILE   4          HG23      ILE   4  80.186  -7.626   8.754
   26   2HG2  ILE   4          HG22      ILE   4  80.811  -8.566  10.109
   27   3HG2  ILE   4          HG21      ILE   4  79.070  -8.383   9.890
   28   1HD1  ILE   4          HD12      ILE   4  78.944  -6.114  12.759
   29   2HD1  ILE   4          HD11      ILE   4  79.684  -7.346  13.782
   30   3HD1  ILE   4          HD13      ILE   4  80.382  -5.728  13.705
   31    H    TYR   5           HN       TYR   5  78.413  -4.635  10.125
   32    HA   TYR   5           HA       TYR   5  77.543  -4.622   7.420
   33   1HB   TYR   5           HB2      TYR   5  76.801  -3.086   9.917
   34   2HB   TYR   5           HB1      TYR   5  75.907  -2.889   8.410
   35    HD1  TYR   5           HD1      TYR   5  74.789  -4.875   7.354
   36    HD2  TYR   5           HD2      TYR   5  76.538  -5.039  11.274
   37    HE1  TYR   5           HE1      TYR   5  73.516  -6.949   7.836
   38    HE2  TYR   5           HE2      TYR   5  75.265  -7.112  11.757
   39    HH   TYR   5           HH       TYR   5  72.670  -8.136   9.950
   40    H    LYS   6           HN       LYS   6  79.487  -2.326   9.236
   41    HA   LYS   6           HA       LYS   6  79.182  -0.056   7.492
   42   1HB   LYS   6           HB2      LYS   6  81.150  -1.026   9.552
   43   2HB   LYS   6           HB1      LYS   6  81.506   0.430   8.621
   44   1HG   LYS   6           HG2      LYS   6  79.050   1.106   9.290
   45   2HG   LYS   6           HG1      LYS   6  79.294  -0.064  10.589
   46   1HD   LYS   6           HD2      LYS   6  79.953   2.183  11.335
   47   2HD   LYS   6           HD1      LYS   6  81.365   1.127  11.254
   48   1HE   LYS   6           HE2      LYS   6  82.352   2.558   9.808
   49   2HE   LYS   6           HE1      LYS   6  80.995   2.359   8.680
   50   1HZ   LYS   6           HZ1      LYS   6  79.802   3.849  10.462
   51   2HZ   LYS   6           HZ3      LYS   6  81.386   4.370  10.777
   52   3HZ   LYS   6           HZ2      LYS   6  80.730   4.547   9.220
   53    H    ALA   7           HN       ALA   7  81.587  -2.694   7.629
   54    HA   ALA   7           HA       ALA   7  83.128  -1.727   5.367
   55   1HB   ALA   7           HB3      ALA   7  83.145  -3.837   7.341
   56   2HB   ALA   7           HB2      ALA   7  83.474  -4.514   5.747
   57   3HB   ALA   7           HB1      ALA   7  84.489  -3.219   6.382
   58    H    ALA   8           HN       ALA   8  80.134  -3.371   5.664
   59    HA   ALA   8           HA       ALA   8  80.271  -4.865   3.154
   60   1HB   ALA   8           HB3      ALA   8  78.776  -4.940   5.450
   61   2HB   ALA   8           HB2      ALA   8  77.654  -4.154   4.339
   62   3HB   ALA   8           HB1      ALA   8  78.315  -5.743   3.949
   63    H    VAL   9           HN       VAL   9  78.626  -1.880   4.253
   64    HA   VAL   9           HA       VAL   9  77.502  -1.246   1.666
   65    HB   VAL   9           HB       VAL   9  78.075   0.312   4.201
   66   1HG1  VAL   9          HG12      VAL   9  76.918   1.166   1.571
   67   2HG1  VAL   9          HG11      VAL   9  76.230   1.833   3.052
   68   3HG1  VAL   9          HG13      VAL   9  77.940   2.070   2.690
   69   1HG2  VAL   9          HG21      VAL   9  75.566  -0.882   2.979
   70   2HG2  VAL   9          HG23      VAL   9  76.392  -1.437   4.435
   71   3HG2  VAL   9          HG22      VAL   9  75.584   0.130   4.423
   72    H    GLU  10           HN       GLU  10  80.557  -0.501   3.275
   73    HA   GLU  10           HA       GLU  10  81.373   1.542   1.358
   74   1HB   GLU  10           HB2      GLU  10  82.503   0.036   3.681
   75   2HB   GLU  10           HB1      GLU  10  83.643   0.817   2.586
   76   1HG   GLU  10           HG2      GLU  10  82.636   2.970   2.937
   77   2HG   GLU  10           HG1      GLU  10  81.274   2.257   3.802
   78    H    GLN  11           HN       GLN  11  81.526  -1.939   1.519
   79    HA   GLN  11           HA       GLN  11  83.756  -2.343  -0.270
   80   1HB   GLN  11           HB2      GLN  11  81.826  -3.837   1.237
   81   2HB   GLN  11           HB1      GLN  11  81.856  -4.467  -0.411
   82   1HG   GLN  11           HG2      GLN  11  83.835  -5.470  -0.038
   83   2HG   GLN  11           HG1      GLN  11  84.551  -3.938   0.466
   84   1HE2  GLN  11          HE22      GLN  11  84.485  -4.769   3.886
   85   2HE2  GLN  11          HE21      GLN  11  85.004  -3.694   2.679
   86    H    LEU  12           HN       LEU  12  80.268  -1.907  -0.751
   87    HA   LEU  12           HA       LEU  12  79.883  -2.735  -3.378
   88   1HB   LEU  12           HB2      LEU  12  78.937  -0.293  -1.855
   89   2HB   LEU  12           HB1      LEU  12  78.283  -0.735  -3.433
   90    HG   LEU  12           HG       LEU  12  78.386  -2.744  -1.189
   91   1HD1  LEU  12          HD11      LEU  12  77.175  -0.565  -0.541
   92   2HD1  LEU  12          HD13      LEU  12  75.995  -0.993  -1.780
   93   3HD1  LEU  12          HD12      LEU  12  76.252  -2.061  -0.400
   94   1HD2  LEU  12          HD22      LEU  12  77.662  -2.841  -3.886
   95   2HD2  LEU  12          HD21      LEU  12  77.256  -4.041  -2.659
   96   3HD2  LEU  12          HD23      LEU  12  76.122  -2.744  -3.031
   97    H    THR  13           HN       THR  13  80.578  -2.022  -5.386
   98    HA   THR  13           HA       THR  13  82.774  -0.109  -5.521
   99    HB   THR  13           HB       THR  13  82.184  -0.628  -8.078
  100    HG1  THR  13           HG1      THR  13  81.052  -2.535  -8.245
  101   1HG2  THR  13          HG21      THR  13  84.042  -1.511  -6.383
  102   2HG2  THR  13          HG23      THR  13  83.113  -3.003  -6.524
  103   3HG2  THR  13          HG22      THR  13  83.812  -2.260  -7.963
  104    H    GLU  14           HN       GLU  14  82.686   1.771  -7.062
  105    HA   GLU  14           HA       GLU  14  80.507   3.548  -6.471
  106   1HB   GLU  14           HB2      GLU  14  83.064   3.509  -7.840
  107   2HB   GLU  14           HB1      GLU  14  81.884   4.437  -8.767
  108   1HG   GLU  14           HG2      GLU  14  82.727   6.059  -7.311
  109   2HG   GLU  14           HG1      GLU  14  81.299   5.499  -6.439
  110    H    GLU  15           HN       GLU  15  80.929   1.108  -8.889
  111    HA   GLU  15           HA       GLU  15  79.218   2.201 -10.943
  112   1HB   GLU  15           HB2      GLU  15  79.267  -0.170 -11.726
  113   2HB   GLU  15           HB1      GLU  15  80.874   0.431 -11.317
  114   1HG   GLU  15           HG2      GLU  15  81.122  -1.142  -9.728
  115   2HG   GLU  15           HG1      GLU  15  79.600  -0.674  -8.969
  116    H    GLN  16           HN       GLN  16  78.607   0.625  -7.900
  117    HA   GLN  16           HA       GLN  16  75.870  -0.210  -8.591
  118   1HB   GLN  16           HB2      GLN  16  77.064   0.026  -5.828
  119   2HB   GLN  16           HB1      GLN  16  75.896  -1.154  -6.420
  120   1HG   GLN  16           HG2      GLN  16  78.064  -1.552  -8.090
  121   2HG   GLN  16           HG1      GLN  16  78.824  -1.211  -6.535
  122   1HE2  GLN  16          HE22      GLN  16  78.309  -4.718  -6.018
  123   2HE2  GLN  16          HE21      GLN  16  79.457  -3.557  -6.482
  124    H    LYS  17           HN       LYS  17  77.120   1.923  -6.003
  125    HA   LYS  17           HA       LYS  17  74.728   3.264  -5.397
  126   1HB   LYS  17           HB2      LYS  17  77.649   3.751  -5.184
  127   2HB   LYS  17           HB1      LYS  17  76.628   5.179  -5.012
  128   1HG   LYS  17           HG2      LYS  17  75.894   4.528  -2.978
  129   2HG   LYS  17           HG1      LYS  17  75.573   2.887  -3.540
  130   1HD   LYS  17           HD2      LYS  17  77.283   2.699  -1.873
  131   2HD   LYS  17           HD1      LYS  17  78.085   2.489  -3.430
  132   1HE   LYS  17           HE2      LYS  17  78.366   5.140  -3.251
  133   2HE   LYS  17           HE1      LYS  17  78.252   4.784  -1.516
  134   1HZ   LYS  17           HZ2      LYS  17  79.819   2.785  -2.422
  135   2HZ   LYS  17           HZ1      LYS  17  80.326   4.080  -3.397
  136   3HZ   LYS  17           HZ3      LYS  17  80.399   4.214  -1.708
  137    H    ASN  18           HN       ASN  18  76.754   3.583  -8.214
  138    HA   ASN  18           HA       ASN  18  75.811   6.227  -9.008
  139   1HB   ASN  18           HB2      ASN  18  77.488   4.003 -10.072
  140   2HB   ASN  18           HB1      ASN  18  76.805   5.116 -11.259
  141   1HD2  ASN  18          HD22      ASN  18  79.855   6.879 -10.461
  142   2HD2  ASN  18          HD21      ASN  18  79.234   5.692 -11.503
  143    H    GLU  19           HN       GLU  19  75.078   2.876 -10.051
  144    HA   GLU  19           HA       GLU  19  73.004   3.693 -11.915
  145   1HB   GLU  19           HB2      GLU  19  74.312   1.272 -10.913
  146   2HB   GLU  19           HB1      GLU  19  72.591   1.030 -11.213
  147   1HG   GLU  19           HG2      GLU  19  73.384   2.497 -13.416
  148   2HG   GLU  19           HG1      GLU  19  74.774   1.452 -13.127
  149    H    PHE  20           HN       PHE  20  73.082   2.675  -8.525
  150    HA   PHE  20           HA       PHE  20  70.285   2.256  -8.133
  151   1HB   PHE  20           HB2      PHE  20  72.676   2.965  -6.461
  152   2HB   PHE  20           HB1      PHE  20  71.077   2.999  -5.718
  153    HD1  PHE  20           HD2      PHE  20  71.790   0.723  -8.507
  154    HD2  PHE  20           HD1      PHE  20  71.611   1.107  -4.232
  155    HE1  PHE  20           HE2      PHE  20  71.840  -1.746  -8.282
  156    HE2  PHE  20           HE1      PHE  20  71.661  -1.362  -4.008
  157    HZ   PHE  20           HZ       PHE  20  71.774  -2.789  -6.033
  158    H    LYS  21           HN       LYS  21  72.289   5.194  -7.933
  159    HA   LYS  21           HA       LYS  21  70.477   7.019  -6.823
  160   1HB   LYS  21           HB2      LYS  21  72.791   7.537  -7.369
  161   2HB   LYS  21           HB1      LYS  21  72.471   7.318  -9.090
  162   1HG   LYS  21           HG2      LYS  21  71.274   9.304  -9.262
  163   2HG   LYS  21           HG1      LYS  21  70.829   9.302  -7.554
  164   1HD   LYS  21           HD2      LYS  21  73.537   9.461  -7.356
  165   2HD   LYS  21           HD1      LYS  21  73.275  10.335  -8.865
  166   1HE   LYS  21           HE2      LYS  21  71.257  11.277  -7.153
  167   2HE   LYS  21           HE1      LYS  21  72.717  11.201  -6.146
  168   1HZ   LYS  21           HZ3      LYS  21  73.944  12.322  -7.906
  169   2HZ   LYS  21           HZ2      LYS  21  72.534  12.424  -8.851
  170   3HZ   LYS  21           HZ1      LYS  21  72.643  13.278  -7.386
  171    H    ALA  22           HN       ALA  22  70.897   6.388 -10.335
  172    HA   ALA  22           HA       ALA  22  68.889   7.935 -11.425
  173   1HB   ALA  22           HB1      ALA  22  70.335   5.515 -12.050
  174   2HB   ALA  22           HB3      ALA  22  68.677   5.376 -12.634
  175   3HB   ALA  22           HB2      ALA  22  69.687   6.723 -13.158
  176    H    ALA  23           HN       ALA  23  68.304   4.530 -10.441
  177    HA   ALA  23           HA       ALA  23  65.469   4.642 -10.597
  178   1HB   ALA  23           HB1      ALA  23  67.186   2.690 -10.292
  179   2HB   ALA  23           HB3      ALA  23  66.987   3.004  -8.569
  180   3HB   ALA  23           HB2      ALA  23  65.596   2.534  -9.546
  181    H    PHE  24           HN       PHE  24  67.703   5.470  -7.966
  182    HA   PHE  24           HA       PHE  24  66.009   5.729  -5.773
  183   1HB   PHE  24           HB2      PHE  24  68.532   6.204  -6.109
  184   2HB   PHE  24           HB1      PHE  24  68.029   7.833  -6.560
  185    HD1  PHE  24           HD1      PHE  24  66.366   9.020  -4.907
  186    HD2  PHE  24           HD2      PHE  24  68.880   5.701  -3.850
  187    HE1  PHE  24           HE1      PHE  24  66.159   9.626  -2.511
  188    HE2  PHE  24           HE2      PHE  24  68.674   6.308  -1.454
  189    HZ   PHE  24           HZ       PHE  24  67.313   8.270  -0.785
  190    H    ASP  25           HN       ASP  25  66.540   8.145  -8.362
  191    HA   ASP  25           HA       ASP  25  64.688  10.090  -7.326
  192   1HB   ASP  25           HB2      ASP  25  65.815   9.488 -10.076
  193   2HB   ASP  25           HB1      ASP  25  64.867  10.931  -9.714
  194    H    ILE  26           HN       ILE  26  64.214   7.062  -8.887
  195    HA   ILE  26           HA       ILE  26  61.641   7.710 -10.122
  196    HB   ILE  26           HB       ILE  26  62.903   5.033  -9.463
  197   1HG1  ILE  26          HG12      ILE  26  64.493   6.521 -10.661
  198   2HG1  ILE  26          HG11      ILE  26  63.967   5.177 -11.676
  199   1HG2  ILE  26          HG23      ILE  26  60.943   5.944 -11.588
  200   2HG2  ILE  26          HG22      ILE  26  61.637   4.326 -11.485
  201   3HG2  ILE  26          HG21      ILE  26  60.576   4.914 -10.205
  202   1HD1  ILE  26          HD12      ILE  26  62.246   6.665 -12.696
  203   2HD1  ILE  26          HD11      ILE  26  62.873   8.005 -11.738
  204   3HD1  ILE  26          HD13      ILE  26  63.887   7.252 -12.968
  205    H    PHE  27           HN       PHE  27  62.768   6.329  -7.058
  206    HA   PHE  27           HA       PHE  27  60.082   5.461  -6.248
  207   1HB   PHE  27           HB2      PHE  27  62.536   5.810  -4.518
  208   2HB   PHE  27           HB1      PHE  27  61.240   4.626  -4.347
  209    HD1  PHE  27           HD1      PHE  27  60.900   3.526  -7.003
  210    HD2  PHE  27           HD2      PHE  27  64.523   4.652  -4.987
  211    HE1  PHE  27           HE1      PHE  27  62.177   1.928  -8.404
  212    HE2  PHE  27           HE2      PHE  27  65.799   3.053  -6.387
  213    HZ   PHE  27           HZ       PHE  27  64.626   1.690  -8.095
  214    H    VAL  28           HN       VAL  28  62.187   8.255  -5.763
  215    HA   VAL  28           HA       VAL  28  60.465   9.402  -3.668
  216    HB   VAL  28           HB       VAL  28  62.190  11.108  -3.654
  217   1HG1  VAL  28          HG12      VAL  28  62.641   8.481  -3.106
  218   2HG1  VAL  28          HG11      VAL  28  63.915   8.790  -4.284
  219   3HG1  VAL  28          HG13      VAL  28  63.824   9.756  -2.812
  220   1HG2  VAL  28          HG21      VAL  28  62.571  10.136  -6.416
  221   2HG2  VAL  28          HG23      VAL  28  62.842  11.744  -5.744
  222   3HG2  VAL  28          HG22      VAL  28  64.064  10.488  -5.546
  223    H    LEU  29           HN       LEU  29  59.332   8.926  -6.406
  224    HA   LEU  29           HA       LEU  29  59.153  11.165  -8.063
  225   1HB   LEU  29           HB2      LEU  29  57.359   8.929  -7.224
  226   2HB   LEU  29           HB1      LEU  29  56.635  10.238  -8.161
  227    HG   LEU  29           HG       LEU  29  59.218   8.964  -9.045
  228   1HD1  LEU  29          HD12      LEU  29  56.465   7.845  -9.140
  229   2HD1  LEU  29          HD11      LEU  29  57.398   7.750 -10.633
  230   3HD1  LEU  29          HD13      LEU  29  58.020   7.013  -9.157
  231   1HD2  LEU  29          HD21      LEU  29  56.943  10.397 -10.454
  232   2HD2  LEU  29          HD23      LEU  29  58.546  11.054 -10.125
  233   3HD2  LEU  29          HD22      LEU  29  58.356   9.720 -11.264
  234    H    GLY  30           HN       GLY  30  59.233  13.131  -6.823
  235   1HA   GLY  30           HA2      GLY  30  58.179  15.008  -5.874
  236   2HA   GLY  30           HA1      GLY  30  56.647  14.144  -6.002
  237    H    ALA  31           HN       ALA  31  59.509  12.960  -4.293
  238    HA   ALA  31           HA       ALA  31  58.031  12.275  -1.931
  239   1HB   ALA  31           HB1      ALA  31  60.940  12.593  -2.676
  240   2HB   ALA  31           HB3      ALA  31  60.472  12.144  -1.036
  241   3HB   ALA  31           HB2      ALA  31  60.037  11.105  -2.393
  242    H    GLU  32           HN       GLU  32  59.117  13.215   0.282
  243    HA   GLU  32           HA       GLU  32  58.254  15.987   0.440
  244   1HB   GLU  32           HB2      GLU  32  59.584  14.020   2.321
  245   2HB   GLU  32           HB1      GLU  32  59.109  15.643   2.824
  246   1HG   GLU  32           HG2      GLU  32  57.112  13.868   1.449
  247   2HG   GLU  32           HG1      GLU  32  57.432  13.656   3.169
  248    H    ASP  33           HN       ASP  33  61.416  14.334   0.588
  249    HA   ASP  33           HA       ASP  33  62.724  16.930  -0.089
  250   1HB   ASP  33           HB2      ASP  33  64.369  16.503   1.723
  251   2HB   ASP  33           HB1      ASP  33  62.732  16.658   2.363
  252    H    GLY  34           HN       GLY  34  62.190  14.470  -1.642
  253   1HA   GLY  34           HA2      GLY  34  63.382  13.212  -3.232
  254   2HA   GLY  34           HA1      GLY  34  64.836  14.079  -2.742
  255    H    CYS  35           HN       CYS  35  62.591  11.741  -1.203
  256    HA   CYS  35           HA       CYS  35  64.978  10.075  -0.502
  257   1HB   CYS  35           HB2      CYS  35  62.825  11.244   1.258
  258   2HB   CYS  35           HB1      CYS  35  63.700   9.795   1.749
  259    HG   CYS  35           HG       CYS  35  64.779  12.543   2.031
  260    H    ILE  36           HN       ILE  36  64.359   7.815   0.011
  261    HA   ILE  36           HA       ILE  36  61.864   7.008  -1.435
  262    HB   ILE  36           HB       ILE  36  64.123   5.163  -0.691
  263   1HG1  ILE  36          HG12      ILE  36  64.139   7.113  -3.019
  264   2HG1  ILE  36          HG11      ILE  36  65.234   7.148  -1.636
  265   1HG2  ILE  36          HG22      ILE  36  61.853   5.253  -2.564
  266   2HG2  ILE  36          HG21      ILE  36  63.357   4.685  -3.290
  267   3HG2  ILE  36          HG23      ILE  36  62.693   3.861  -1.876
  268   1HD1  ILE  36          HD13      ILE  36  65.040   4.580  -3.131
  269   2HD1  ILE  36          HD12      ILE  36  65.876   5.909  -3.933
  270   3HD1  ILE  36          HD11      ILE  36  66.439   5.332  -2.366
  271    H    SER  37           HN       SER  37  60.323   6.994   0.242
  272    HA   SER  37           HA       SER  37  60.831   6.083   2.924
  273   1HB   SER  37           HB2      SER  37  58.463   6.365   3.153
  274   2HB   SER  37           HB1      SER  37  58.978   7.579   1.985
  275    HG   SER  37           HG       SER  37  57.124   5.848   1.619
  276    H    THR  38           HN       THR  38  59.545   4.145   3.839
  277    HA   THR  38           HA       THR  38  60.298   1.735   2.343
  278    HB   THR  38           HB       THR  38  60.620   2.000   4.780
  279    HG1  THR  38           HG1      THR  38  58.901   0.042   3.753
  280   1HG2  THR  38          HG22      THR  38  57.636   2.374   4.675
  281   2HG2  THR  38          HG21      THR  38  58.433   1.825   6.150
  282   3HG2  THR  38          HG23      THR  38  58.845   3.392   5.453
  283    H    LYS  39           HN       LYS  39  57.486   3.691   2.671
  284    HA   LYS  39           HA       LYS  39  55.439   1.691   2.349
  285   1HB   LYS  39           HB2      LYS  39  55.218   4.088   3.128
  286   2HB   LYS  39           HB1      LYS  39  55.455   4.588   1.452
  287   1HG   LYS  39           HG2      LYS  39  53.418   3.713   0.756
  288   2HG   LYS  39           HG1      LYS  39  53.365   2.528   2.062
  289   1HD   LYS  39           HD2      LYS  39  52.648   4.105   3.641
  290   2HD   LYS  39           HD1      LYS  39  53.246   5.467   2.693
  291   1HE   LYS  39           HE2      LYS  39  51.352   4.135   1.051
  292   2HE   LYS  39           HE1      LYS  39  50.613   4.299   2.656
  293   1HZ   LYS  39           HZ2      LYS  39  52.099   6.512   1.367
  294   2HZ   LYS  39           HZ1      LYS  39  50.429   6.299   1.137
  295   3HZ   LYS  39           HZ3      LYS  39  51.039   6.591   2.692
  296    H    GLU  40           HN       GLU  40  57.344   3.614   0.036
  297    HA   GLU  40           HA       GLU  40  55.934   2.366  -2.254
  298   1HB   GLU  40           HB2      GLU  40  58.105   4.464  -1.951
  299   2HB   GLU  40           HB1      GLU  40  57.438   3.964  -3.507
  300   1HG   GLU  40           HG2      GLU  40  55.527   4.770  -1.349
  301   2HG   GLU  40           HG1      GLU  40  56.421   6.040  -2.187
  302    H    LEU  41           HN       LEU  41  58.854   1.994  -0.408
  303    HA   LEU  41           HA       LEU  41  60.702   0.908  -2.189
  304   1HB   LEU  41           HB2      LEU  41  60.089   0.860   0.630
  305   2HB   LEU  41           HB1      LEU  41  60.666  -0.729   0.130
  306    HG   LEU  41           HG       LEU  41  62.063   1.933  -0.241
  307   1HD1  LEU  41          HD13      LEU  41  62.126  -0.019   1.793
  308   2HD1  LEU  41          HD12      LEU  41  63.604  -0.256   0.861
  309   3HD1  LEU  41          HD11      LEU  41  63.253   1.319   1.571
  310   1HD2  LEU  41          HD23      LEU  41  62.339  -0.664  -1.663
  311   2HD2  LEU  41          HD22      LEU  41  62.741   0.964  -2.207
  312   3HD2  LEU  41          HD21      LEU  41  63.842   0.096  -1.138
  313    H    GLY  42           HN       GLY  42  57.970  -0.809  -0.629
  314   1HA   GLY  42           HA2      GLY  42  58.371  -3.404  -1.502
  315   2HA   GLY  42           HA1      GLY  42  56.764  -2.676  -1.434
  316    H    LYS  43           HN       LYS  43  56.629  -0.909  -3.407
  317    HA   LYS  43           HA       LYS  43  56.510  -2.477  -5.814
  318   1HB   LYS  43           HB2      LYS  43  56.415   0.503  -5.238
  319   2HB   LYS  43           HB1      LYS  43  56.015  -0.205  -6.804
  320   1HG   LYS  43           HG2      LYS  43  54.222  -1.524  -5.789
  321   2HG   LYS  43           HG1      LYS  43  54.649  -0.912  -4.191
  322   1HD   LYS  43           HD2      LYS  43  53.188   0.767  -4.563
  323   2HD   LYS  43           HD1      LYS  43  54.339   1.388  -5.747
  324   1HE   LYS  43           HE2      LYS  43  52.989  -0.682  -7.088
  325   2HE   LYS  43           HE1      LYS  43  51.728   0.205  -6.209
  326   1HZ   LYS  43           HZ3      LYS  43  53.872   1.655  -7.622
  327   2HZ   LYS  43           HZ2      LYS  43  52.504   1.116  -8.474
  328   3HZ   LYS  43           HZ1      LYS  43  52.329   2.204  -7.180
  329    H    VAL  44           HN       VAL  44  58.882  -0.188  -4.515
  330    HA   VAL  44           HA       VAL  44  60.501   0.126  -6.852
  331    HB   VAL  44           HB       VAL  44  61.175   0.136  -3.890
  332   1HG1  VAL  44          HG11      VAL  44  62.788   0.545  -6.290
  333   2HG1  VAL  44          HG13      VAL  44  62.809   1.955  -5.229
  334   3HG1  VAL  44          HG12      VAL  44  63.302   0.378  -4.610
  335   1HG2  VAL  44          HG21      VAL  44  59.754   1.980  -5.683
  336   2HG2  VAL  44          HG23      VAL  44  59.790   1.934  -3.920
  337   3HG2  VAL  44          HG22      VAL  44  61.080   2.745  -4.807
  338    H    MET  45           HN       MET  45  60.631  -2.235  -4.179
  339    HA   MET  45           HA       MET  45  62.993  -3.612  -4.949
  340   1HB   MET  45           HB2      MET  45  60.445  -4.387  -3.513
  341   2HB   MET  45           HB1      MET  45  61.811  -5.495  -3.660
  342   1HG   MET  45           HG2      MET  45  62.379  -2.725  -2.705
  343   2HG   MET  45           HG1      MET  45  61.583  -3.828  -1.582
  344   1HE   MET  45           HE3      MET  45  64.242  -2.254  -1.711
  345   2HE   MET  45           HE2      MET  45  64.320  -3.208  -0.232
  346   3HE   MET  45           HE1      MET  45  65.657  -3.262  -1.379
  347    H    ARG  46           HN       ARG  46  59.645  -3.928  -6.075
  348    HA   ARG  46           HA       ARG  46  59.971  -6.375  -7.544
  349   1HB   ARG  46           HB2      ARG  46  58.118  -3.986  -7.752
  350   2HB   ARG  46           HB1      ARG  46  57.910  -5.441  -8.728
  351   1HG   ARG  46           HG2      ARG  46  58.061  -6.684  -6.424
  352   2HG   ARG  46           HG1      ARG  46  57.644  -5.108  -5.753
  353   1HD   ARG  46           HD2      ARG  46  55.817  -5.310  -7.791
  354   2HD   ARG  46           HD1      ARG  46  55.955  -6.999  -7.264
  355    HE   ARG  46           HE       ARG  46  55.649  -4.905  -5.175
  356   1HH1  ARG  46          HH11      ARG  46  55.332  -8.092  -5.359
  357   2HH1  ARG  46          HH12      ARG  46  53.646  -8.198  -4.975
  358   1HH2  ARG  46          HH21      ARG  46  53.072  -4.802  -5.377
  359   2HH2  ARG  46          HH22      ARG  46  52.366  -6.335  -4.988
  360    H    MET  47           HN       MET  47  60.713  -3.011  -8.288
  361    HA   MET  47           HA       MET  47  60.981  -3.271 -11.138
  362   1HB   MET  47           HB2      MET  47  62.358  -1.436  -9.148
  363   2HB   MET  47           HB1      MET  47  62.208  -1.143 -10.881
  364   1HG   MET  47           HG2      MET  47  59.619  -1.745  -9.732
  365   2HG   MET  47           HG1      MET  47  60.375  -0.399  -8.877
  366   1HE   MET  47           HE2      MET  47  62.031   0.881 -10.207
  367   2HE   MET  47           HE1      MET  47  61.974   1.212 -11.937
  368   3HE   MET  47           HE3      MET  47  61.070   2.230 -10.807
  369    H    LEU  48           HN       LEU  48  63.635  -2.884  -8.764
  370    HA   LEU  48           HA       LEU  48  65.777  -3.677 -10.371
  371   1HB   LEU  48           HB2      LEU  48  65.248  -4.264  -7.437
  372   2HB   LEU  48           HB1      LEU  48  66.839  -4.260  -8.200
  373    HG   LEU  48           HG       LEU  48  64.958  -1.912  -7.860
  374   1HD1  LEU  48          HD13      LEU  48  67.332  -2.926  -6.497
  375   2HD1  LEU  48          HD12      LEU  48  67.545  -1.265  -7.046
  376   3HD1  LEU  48          HD11      LEU  48  66.197  -1.677  -5.986
  377   1HD2  LEU  48          HD21      LEU  48  67.351  -2.316  -9.643
  378   2HD2  LEU  48          HD23      LEU  48  65.816  -1.533 -10.012
  379   3HD2  LEU  48          HD22      LEU  48  66.997  -0.718  -8.989
  380    H    GLY  49           HN       GLY  49  63.738  -5.787  -8.326
  381   1HA   GLY  49           HA2      GLY  49  63.177  -7.942  -9.747
  382   2HA   GLY  49           HA1      GLY  49  64.925  -8.163  -9.662
  383    H    GLN  50           HN       GLN  50  62.926  -6.835  -7.056
  384    HA   GLN  50           HA       GLN  50  63.552  -9.292  -5.449
  385   1HB   GLN  50           HB2      GLN  50  63.304  -6.442  -4.451
  386   2HB   GLN  50           HB1      GLN  50  63.985  -7.825  -3.592
  387   1HG   GLN  50           HG2      GLN  50  65.384  -7.612  -6.056
  388   2HG   GLN  50           HG1      GLN  50  65.313  -5.991  -5.364
  389   1HE2  GLN  50          HE22      GLN  50  68.252  -7.241  -3.674
  390   2HE2  GLN  50          HE21      GLN  50  67.765  -6.444  -5.092
  391    H    ASN  51           HN       ASN  51  61.925  -9.793  -3.787
  392    HA   ASN  51           HA       ASN  51  59.269  -8.473  -4.216
  393   1HB   ASN  51           HB2      ASN  51  59.920 -10.820  -5.350
  394   2HB   ASN  51           HB1      ASN  51  59.424 -11.419  -3.767
  395   1HD2  ASN  51          HD22      ASN  51  56.038 -10.018  -4.209
  396   2HD2  ASN  51          HD21      ASN  51  57.266  -9.971  -3.038
  397    HA   PRO  52           HA       PRO  52  60.409  -9.138   0.267
  398   1HB   PRO  52           HB2      PRO  52  60.379  -6.507   1.013
  399   2HB   PRO  52           HB1      PRO  52  61.832  -7.322   0.402
  400   1HG   PRO  52           HG2      PRO  52  59.979  -5.466  -0.988
  401   2HG   PRO  52           HG1      PRO  52  61.731  -5.644  -1.147
  402   1HD   PRO  52           HD2      PRO  52  59.898  -6.651  -2.933
  403   2HD   PRO  52           HD1      PRO  52  61.546  -7.280  -2.720
  404    H    THR  53           HN       THR  53  58.829  -9.126   1.924
  405    HA   THR  53           HA       THR  53  56.072  -8.619   1.092
  406    HB   THR  53           HB       THR  53  56.210  -9.163   3.852
  407    HG1  THR  53           HG1      THR  53  57.713 -10.973   3.737
  408   1HG2  THR  53          HG23      THR  53  54.736 -10.161   2.057
  409   2HG2  THR  53          HG22      THR  53  56.097 -11.189   1.608
  410   3HG2  THR  53          HG21      THR  53  55.379 -11.327   3.212
  411    HA   PRO  54           HA       PRO  54  55.390  -4.743   3.041
  412   1HB   PRO  54           HB2      PRO  54  53.215  -5.115   4.660
  413   2HB   PRO  54           HB1      PRO  54  53.106  -5.084   2.889
  414   1HG   PRO  54           HG2      PRO  54  53.125  -7.408   4.742
  415   2HG   PRO  54           HG1      PRO  54  52.205  -7.161   3.250
  416   1HD   PRO  54           HD2      PRO  54  54.453  -8.708   3.412
  417   2HD   PRO  54           HD1      PRO  54  53.910  -7.904   1.923
  418    H    GLU  55           HN       GLU  55  55.154  -7.375   5.451
  419    HA   GLU  55           HA       GLU  55  55.920  -5.696   7.698
  420   1HB   GLU  55           HB2      GLU  55  54.707  -8.101   7.344
  421   2HB   GLU  55           HB1      GLU  55  56.337  -8.638   7.753
  422   1HG   GLU  55           HG2      GLU  55  56.152  -7.952   9.909
  423   2HG   GLU  55           HG1      GLU  55  55.332  -6.457   9.457
  424    H    GLU  56           HN       GLU  56  57.640  -7.615   5.311
  425    HA   GLU  56           HA       GLU  56  60.150  -7.816   6.741
  426   1HB   GLU  56           HB2      GLU  56  59.003  -8.361   4.076
  427   2HB   GLU  56           HB1      GLU  56  60.728  -7.990   4.058
  428   1HG   GLU  56           HG2      GLU  56  59.999  -9.796   6.241
  429   2HG   GLU  56           HG1      GLU  56  59.614 -10.465   4.654
  430    H    LEU  57           HN       LEU  57  58.712  -5.418   4.584
  431    HA   LEU  57           HA       LEU  57  61.053  -3.914   3.948
  432   1HB   LEU  57           HB2      LEU  57  58.208  -3.791   3.663
  433   2HB   LEU  57           HB1      LEU  57  58.762  -2.224   4.254
  434    HG   LEU  57           HG       LEU  57  60.348  -2.026   2.435
  435   1HD1  LEU  57          HD12      LEU  57  59.719  -4.915   2.140
  436   2HD1  LEU  57          HD11      LEU  57  59.972  -4.018   0.642
  437   3HD1  LEU  57          HD13      LEU  57  61.237  -4.060   1.870
  438   1HD2  LEU  57          HD23      LEU  57  57.496  -2.398   2.020
  439   2HD2  LEU  57          HD22      LEU  57  58.577  -1.205   1.300
  440   3HD2  LEU  57          HD21      LEU  57  58.401  -2.797   0.560
  441    H    GLN  58           HN       GLN  58  58.541  -2.624   6.110
  442    HA   GLN  58           HA       GLN  58  59.982  -0.730   7.488
  443   1HB   GLN  58           HB2      GLN  58  57.545  -1.421   7.684
  444   2HB   GLN  58           HB1      GLN  58  58.073  -2.685   8.794
  445   1HG   GLN  58           HG2      GLN  58  57.324  -0.578   9.946
  446   2HG   GLN  58           HG1      GLN  58  58.982  -1.046  10.327
  447   1HE2  GLN  58          HE22      GLN  58  60.441   1.745   8.657
  448   2HE2  GLN  58          HE21      GLN  58  60.740   0.197   9.286
  449    H    GLU  59           HN       GLU  59  59.525  -4.012   8.864
  450    HA   GLU  59           HA       GLU  59  61.288  -3.952  10.978
  451   1HB   GLU  59           HB2      GLU  59  59.892  -5.845   9.529
  452   2HB   GLU  59           HB1      GLU  59  61.564  -6.362   9.315
  453   1HG   GLU  59           HG2      GLU  59  61.731  -5.943  11.905
  454   2HG   GLU  59           HG1      GLU  59  59.975  -6.108  11.851
  455    H    MET  60           HN       MET  60  62.197  -4.493   7.559
  456    HA   MET  60           HA       MET  60  65.031  -4.806   8.151
  457   1HB   MET  60           HB2      MET  60  63.219  -4.611   5.793
  458   2HB   MET  60           HB1      MET  60  64.922  -4.246   5.516
  459   1HG   MET  60           HG2      MET  60  65.449  -6.427   6.735
  460   2HG   MET  60           HG1      MET  60  63.730  -6.801   6.610
  461   1HE   MET  60           HE3      MET  60  65.862  -8.538   5.760
  462   2HE   MET  60           HE2      MET  60  66.116  -8.782   4.034
  463   3HE   MET  60           HE1      MET  60  67.043  -7.551   4.887
  464    H    ILE  61           HN       ILE  61  62.919  -2.089   7.730
  465    HA   ILE  61           HA       ILE  61  65.208  -0.259   7.171
  466    HB   ILE  61           HB       ILE  61  62.193  -0.073   7.050
  467   1HG1  ILE  61          HG12      ILE  61  63.691   0.839   4.750
  468   2HG1  ILE  61          HG11      ILE  61  64.226  -0.775   5.217
  469   1HG2  ILE  61          HG22      ILE  61  63.138   2.037   7.994
  470   2HG2  ILE  61          HG21      ILE  61  64.184   2.167   6.579
  471   3HG2  ILE  61          HG23      ILE  61  62.433   2.266   6.394
  472   1HD1  ILE  61          HD13      ILE  61  61.319  -0.487   5.340
  473   2HD1  ILE  61          HD12      ILE  61  61.958  -0.191   3.722
  474   3HD1  ILE  61          HD11      ILE  61  62.290  -1.720   4.536
  475    H    ASP  62           HN       ASP  62  62.799  -1.060   9.624
  476    HA   ASP  62           HA       ASP  62  63.148   1.260  11.289
  477   1HB   ASP  62           HB2      ASP  62  61.316  -0.534  11.269
  478   2HB   ASP  62           HB1      ASP  62  62.448  -1.553  12.161
  479    H    GLU  63           HN       GLU  63  65.275  -1.282  10.550
  480    HA   GLU  63           HA       GLU  63  66.797  -0.875  13.104
  481   1HB   GLU  63           HB2      GLU  63  66.222  -3.170  11.297
  482   2HB   GLU  63           HB1      GLU  63  67.834  -3.123  12.012
  483   1HG   GLU  63           HG2      GLU  63  66.929  -3.058  14.242
  484   2HG   GLU  63           HG1      GLU  63  65.291  -2.823  13.629
  485    H    VAL  64           HN       VAL  64  66.752   0.036   9.890
  486    HA   VAL  64           HA       VAL  64  69.736   0.081   9.681
  487    HB   VAL  64           HB       VAL  64  68.026  -0.963   7.961
  488   1HG1  VAL  64          HG12      VAL  64  66.976   1.530   7.952
  489   2HG1  VAL  64          HG11      VAL  64  68.138   1.693   6.635
  490   3HG1  VAL  64          HG13      VAL  64  66.890   0.449   6.562
  491   1HG2  VAL  64          HG22      VAL  64  70.377   0.814   7.278
  492   2HG2  VAL  64          HG21      VAL  64  70.374  -0.935   7.500
  493   3HG2  VAL  64          HG23      VAL  64  69.589  -0.224   6.090
  494    H    ASP  65           HN       ASP  65  66.884   2.085   9.931
  495    HA   ASP  65           HA       ASP  65  67.881   4.557   8.927
  496   1HB   ASP  65           HB2      ASP  65  65.610   3.525  10.232
  497   2HB   ASP  65           HB1      ASP  65  66.191   4.822  11.276
  498    H    GLU  66           HN       GLU  66  69.903   5.265   9.603
  499    HA   GLU  66           HA       GLU  66  70.905   4.865  12.303
  500   1HB   GLU  66           HB2      GLU  66  71.957   5.351   9.837
  501   2HB   GLU  66           HB1      GLU  66  72.063   6.959  10.552
  502   1HG   GLU  66           HG2      GLU  66  72.886   5.070  12.529
  503   2HG   GLU  66           HG1      GLU  66  73.748   4.702  11.035
  504    H    ASP  67           HN       ASP  67  68.790   7.158  10.881
  505    HA   ASP  67           HA       ASP  67  69.230   9.028  13.190
  506   1HB   ASP  67           HB2      ASP  67  68.404  10.770  11.556
  507   2HB   ASP  67           HB1      ASP  67  69.929  10.018  11.085
  508    H    GLY  68           HN       GLY  68  67.025   7.006  11.479
  509   1HA   GLY  68           HA2      GLY  68  64.807   6.426  12.023
  510   2HA   GLY  68           HA1      GLY  68  64.922   7.497  13.420
  511    H    SER  69           HN       SER  69  65.627   8.592  10.163
  512    HA   SER  69           HA       SER  69  63.907  10.861  10.315
  513   1HB   SER  69           HB2      SER  69  64.629  11.205   8.085
  514   2HB   SER  69           HB1      SER  69  65.935  10.268   8.802
  515    HG   SER  69           HG       SER  69  64.572   9.663   6.678
  516    H    GLY  70           HN       GLY  70  63.231   7.541   9.563
  517   1HA   GLY  70           HA2      GLY  70  60.928   6.736   9.558
  518   2HA   GLY  70           HA1      GLY  70  60.421   8.304   8.930
  519    H    THR  71           HN       THR  71  62.611   8.398   6.948
  520    HA   THR  71           HA       THR  71  61.474   6.423   5.001
  521    HB   THR  71           HB       THR  71  62.356   8.185   3.358
  522    HG1  THR  71           HG1      THR  71  62.415   9.783   5.686
  523   1HG2  THR  71          HG23      THR  71  60.224   8.858   5.399
  524   2HG2  THR  71          HG22      THR  71  60.472   9.777   3.914
  525   3HG2  THR  71          HG21      THR  71  59.997   8.081   3.833
  526    H    VAL  72           HN       VAL  72  63.276   6.205   3.093
  527    HA   VAL  72           HA       VAL  72  65.765   5.291   4.479
  528    HB   VAL  72           HB       VAL  72  64.746   4.491   1.743
  529   1HG1  VAL  72          HG12      VAL  72  66.548   3.231   3.825
  530   2HG1  VAL  72          HG11      VAL  72  65.964   2.375   2.398
  531   3HG1  VAL  72          HG13      VAL  72  67.002   3.790   2.215
  532   1HG2  VAL  72          HG21      VAL  72  63.685   3.831   4.432
  533   2HG2  VAL  72          HG23      VAL  72  62.898   3.733   2.857
  534   3HG2  VAL  72          HG22      VAL  72  63.981   2.445   3.382
  535    H    ASP  73           HN       ASP  73  67.362   6.824   4.232
  536    HA   ASP  73           HA       ASP  73  67.461   8.481   1.774
  537   1HB   ASP  73           HB2      ASP  73  67.815   9.073   4.361
  538   2HB   ASP  73           HB1      ASP  73  69.476   8.617   3.981
  539    H    PHE  74           HN       PHE  74  69.671   8.729   0.726
  540    HA   PHE  74           HA       PHE  74  70.688   6.411  -0.397
  541   1HB   PHE  74           HB2      PHE  74  71.193   9.016  -0.638
  542   2HB   PHE  74           HB1      PHE  74  72.593   8.598   0.351
  543    HD1  PHE  74           HD2      PHE  74  70.721   7.358  -2.656
  544    HD2  PHE  74           HD1      PHE  74  74.524   7.828  -0.715
  545    HE1  PHE  74           HE2      PHE  74  71.856   6.430  -4.657
  546    HE2  PHE  74           HE1      PHE  74  75.659   6.900  -2.715
  547    HZ   PHE  74           HZ       PHE  74  74.326   6.201  -4.686
  548    H    ASP  75           HN       ASP  75  71.811   7.945   2.634
  549    HA   ASP  75           HA       ASP  75  73.957   6.156   3.195
  550   1HB   ASP  75           HB2      ASP  75  72.088   7.508   5.164
  551   2HB   ASP  75           HB1      ASP  75  73.782   7.086   5.421
  552    H    GLU  76           HN       GLU  76  70.612   6.096   4.501
  553    HA   GLU  76           HA       GLU  76  70.921   3.480   5.706
  554   1HB   GLU  76           HB2      GLU  76  68.409   4.987   4.912
  555   2HB   GLU  76           HB1      GLU  76  68.552   3.762   6.174
  556   1HG   GLU  76           HG2      GLU  76  69.394   5.241   7.672
  557   2HG   GLU  76           HG1      GLU  76  70.457   5.981   6.473
  558    H    PHE  77           HN       PHE  77  69.358   4.648   2.711
  559    HA   PHE  77           HA       PHE  77  68.122   2.376   1.731
  560   1HB   PHE  77           HB2      PHE  77  68.377   4.669   0.683
  561   2HB   PHE  77           HB1      PHE  77  69.978   4.168   0.135
  562    HD1  PHE  77           HD2      PHE  77  66.524   2.684   0.232
  563    HD2  PHE  77           HD1      PHE  77  70.074   3.433  -2.067
  564    HE1  PHE  77           HE2      PHE  77  65.502   1.543  -1.718
  565    HE2  PHE  77           HE1      PHE  77  69.051   2.292  -4.018
  566    HZ   PHE  77           HZ       PHE  77  66.765   1.348  -3.843
  567    H    LEU  78           HN       LEU  78  71.622   3.063   1.682
  568    HA   LEU  78           HA       LEU  78  72.371   0.715   0.185
  569   1HB   LEU  78           HB2      LEU  78  73.669   2.796   1.901
  570   2HB   LEU  78           HB1      LEU  78  74.602   1.352   1.502
  571    HG   LEU  78           HG       LEU  78  73.219   3.134  -0.525
  572   1HD1  LEU  78          HD13      LEU  78  75.154   4.235   0.563
  573   2HD1  LEU  78          HD12      LEU  78  76.161   2.844   0.158
  574   3HD1  LEU  78          HD11      LEU  78  75.494   3.853  -1.125
  575   1HD2  LEU  78          HD22      LEU  78  73.992   0.465  -0.718
  576   2HD2  LEU  78          HD21      LEU  78  73.725   1.561  -2.073
  577   3HD2  LEU  78          HD23      LEU  78  75.350   1.342  -1.424
  578    H    VAL  79           HN       VAL  79  72.826   1.412   3.685
  579    HA   VAL  79           HA       VAL  79  73.643  -1.108   4.556
  580    HB   VAL  79           HB       VAL  79  71.687   0.809   5.876
  581   1HG1  VAL  79          HG11      VAL  79  72.040  -1.552   6.867
  582   2HG1  VAL  79          HG13      VAL  79  73.676  -1.008   7.239
  583   3HG1  VAL  79          HG12      VAL  79  72.288  -0.176   7.942
  584   1HG2  VAL  79          HG22      VAL  79  74.191   1.406   4.964
  585   2HG2  VAL  79          HG21      VAL  79  73.453   2.171   6.373
  586   3HG2  VAL  79          HG23      VAL  79  74.562   0.816   6.583
  587    H    MET  80           HN       MET  80  70.299   0.002   3.966
  588    HA   MET  80           HA       MET  80  68.925  -2.313   4.882
  589   1HB   MET  80           HB2      MET  80  68.405   0.125   3.539
  590   2HB   MET  80           HB1      MET  80  67.732  -1.145   2.516
  591   1HG   MET  80           HG2      MET  80  67.233  -1.284   5.464
  592   2HG   MET  80           HG1      MET  80  66.311  -0.120   4.511
  593   1HE   MET  80           HE1      MET  80  64.964  -0.381   2.854
  594   2HE   MET  80           HE3      MET  80  65.426  -1.600   1.658
  595   3HE   MET  80           HE2      MET  80  63.910  -1.757   2.540
  596    H    MET  81           HN       MET  81  70.344  -1.551   1.702
  597    HA   MET  81           HA       MET  81  69.470  -3.916   0.336
  598   1HB   MET  81           HB2      MET  81  71.480  -1.741   0.038
  599   2HB   MET  81           HB1      MET  81  71.771  -3.199  -0.909
  600   1HG   MET  81           HG2      MET  81  70.373  -1.433  -2.074
  601   2HG   MET  81           HG1      MET  81  69.630  -3.029  -1.985
  602   1HE   MET  81           HE3      MET  81  67.336  -2.597  -2.269
  603   2HE   MET  81           HE2      MET  81  66.366  -1.325  -1.532
  604   3HE   MET  81           HE1      MET  81  67.634  -0.902  -2.678
  605    H    VAL  82           HN       VAL  82  72.762  -3.154   1.536
  606    HA   VAL  82           HA       VAL  82  73.935  -5.677   1.283
  607    HB   VAL  82           HB       VAL  82  75.142  -3.661   1.908
  608   1HG1  VAL  82          HG12      VAL  82  73.306  -2.647   3.247
  609   2HG1  VAL  82          HG11      VAL  82  73.624  -3.814   4.530
  610   3HG1  VAL  82          HG13      VAL  82  74.847  -2.617   4.105
  611   1HG2  VAL  82          HG23      VAL  82  75.330  -6.144   3.371
  612   2HG2  VAL  82          HG22      VAL  82  76.626  -5.057   2.870
  613   3HG2  VAL  82          HG21      VAL  82  75.805  -4.800   4.410
  614    H    ARG  83           HN       ARG  83  71.952  -4.459   3.991
  615    HA   ARG  83           HA       ARG  83  72.239  -6.796   5.656
  616   1HB   ARG  83           HB2      ARG  83  70.499  -4.374   5.453
  617   2HB   ARG  83           HB1      ARG  83  69.943  -5.692   6.487
  618   1HG   ARG  83           HG2      ARG  83  72.147  -5.666   7.646
  619   2HG   ARG  83           HG1      ARG  83  72.617  -4.279   6.665
  620   1HD   ARG  83           HD2      ARG  83  71.757  -3.094   8.445
  621   2HD   ARG  83           HD1      ARG  83  70.211  -3.412   7.630
  622    HE   ARG  83           HE       ARG  83  70.962  -4.543  10.136
  623   1HH1  ARG  83          HH11      ARG  83  71.354  -7.089   8.989
  624   2HH1  ARG  83          HH12      ARG  83  69.766  -7.731   8.730
  625   1HH2  ARG  83          HH21      ARG  83  68.196  -4.648   8.968
  626   2HH2  ARG  83          HH22      ARG  83  67.977  -6.348   8.715
  627    H    CYS  84           HN       CYS  84  70.338  -6.132   2.839
  628    HA   CYS  84           HA       CYS  84  68.404  -8.309   3.427
  629   1HB   CYS  84           HB2      CYS  84  67.589  -6.202   2.511
  630   2HB   CYS  84           HB1      CYS  84  68.725  -6.311   1.167
  631    HG   CYS  84           HG       CYS  84  66.274  -7.250   0.523
  632    H    MET  85           HN       MET  85  71.208  -7.635   1.396
  633    HA   MET  85           HA       MET  85  70.805 -10.133  -0.157
  634   1HB   MET  85           HB2      MET  85  72.672  -9.252  -1.468
  635   2HB   MET  85           HB1      MET  85  71.506  -7.960  -1.184
  636   1HG   MET  85           HG2      MET  85  72.855  -7.100   0.664
  637   2HG   MET  85           HG1      MET  85  73.994  -8.435   0.483
  638   1HE   MET  85           HE3      MET  85  72.471  -5.301  -0.713
  639   2HE   MET  85           HE2      MET  85  73.348  -4.776  -2.148
  640   3HE   MET  85           HE1      MET  85  72.167  -6.077  -2.274
  641    H    LYS  86           HN       LYS  86  72.464  -9.055   2.661
  642    HA   LYS  86           HA       LYS  86  74.292 -11.430   2.547
  643   1HB   LYS  86           HB2      LYS  86  75.312  -9.149   2.604
  644   2HB   LYS  86           HB1      LYS  86  74.496  -8.856   4.141
  645   1HG   LYS  86           HG2      LYS  86  76.221  -9.834   5.200
  646   2HG   LYS  86           HG1      LYS  86  75.810 -11.351   4.398
  647   1HD   LYS  86           HD2      LYS  86  77.097 -10.058   2.378
  648   2HD   LYS  86           HD1      LYS  86  77.955  -9.409   3.775
  649   1HE   LYS  86           HE2      LYS  86  78.720 -11.529   4.453
  650   2HE   LYS  86           HE1      LYS  86  77.459 -12.378   3.537
  651   1HZ   LYS  86           HZ2      LYS  86  78.660 -10.919   1.625
  652   2HZ   LYS  86           HZ1      LYS  86  79.982 -11.301   2.620
  653   3HZ   LYS  86           HZ3      LYS  86  79.033 -12.542   1.962
  654    H    ASP  87           HN       ASP  87  73.106 -13.025   3.617
  655    HA   ASP  87           HA       ASP  87  71.647 -12.337   6.109
  656   1HB   ASP  87           HB2      ASP  87  71.955 -14.987   4.665
  657   2HB   ASP  87           HB1      ASP  87  70.698 -14.544   5.821
  658    H    ASP  88           HN       ASP  88  73.968 -14.892   5.118
  659    HA   ASP  88           HA       ASP  88  74.854 -15.139   7.946
  660   1HB   ASP  88           HB2      ASP  88  74.280 -16.924   5.938
  661   2HB   ASP  88           HB1      ASP  88  76.039 -16.831   5.835
  662    H    SER  89           HN       SER  89  77.402 -15.727   7.944
  663    HA   SER  89           HA       SER  89  79.132 -14.390   6.085
  664   1HB   SER  89           HB2      SER  89  79.274 -12.261   6.947
  665   2HB   SER  89           HB1      SER  89  77.641 -12.625   7.499
  666    HG   SER  89           HG       SER  89  79.068 -11.852   9.166
   
  No H/Q in entry =         666
  Start of MODEL    4
    1   1H    MET   1           HT1      MET   1  86.495  -0.098  17.388
    2   2H    MET   1           HT3      MET   1  88.022   0.287  16.755
    3   3H    MET   1           HT2      MET   1  86.836   1.495  16.906
    4    HA   MET   1           HA       MET   1  86.773   0.971  14.641
    5   1HB   MET   1           HB2      MET   1  86.946  -1.388  13.921
    6   2HB   MET   1           HB1      MET   1  88.297  -0.958  14.972
    7   1HG   MET   1           HG2      MET   1  87.730  -2.692  16.292
    8   2HG   MET   1           HG1      MET   1  86.252  -1.822  16.702
    9   1HE   MET   1           HE2      MET   1  87.426  -3.082  13.235
   10   2HE   MET   1           HE1      MET   1  87.996  -4.335  14.333
   11   3HE   MET   1           HE3      MET   1  86.737  -4.701  13.145
   12    H    ASP   2           HN       ASP   2  84.681   1.741  16.172
   13    HA   ASP   2           HA       ASP   2  82.503  -0.159  16.337
   14   1HB   ASP   2           HB2      ASP   2  82.372   2.863  16.185
   15   2HB   ASP   2           HB1      ASP   2  81.262   1.778  17.026
   16    H    ASP   3           HN       ASP   3  83.056  -0.819  13.910
   17    HA   ASP   3           HA       ASP   3  80.967   0.432  12.229
   18   1HB   ASP   3           HB2      ASP   3  82.648   0.791  10.398
   19   2HB   ASP   3           HB1      ASP   3  82.940   1.804  11.812
   20    H    ILE   4           HN       ILE   4  79.857  -1.414  11.688
   21    HA   ILE   4           HA       ILE   4  81.452  -3.800  10.806
   22    HB   ILE   4           HB       ILE   4  78.760  -3.527  12.179
   23   1HG1  ILE   4          HG12      ILE   4  81.426  -4.700  13.035
   24   2HG1  ILE   4          HG11      ILE   4  80.675  -3.237  13.673
   25   1HG2  ILE   4          HG23      ILE   4  79.277  -5.444  10.365
   26   2HG2  ILE   4          HG22      ILE   4  80.056  -6.178  11.767
   27   3HG2  ILE   4          HG21      ILE   4  78.343  -5.760  11.828
   28   1HD1  ILE   4          HD12      ILE   4  79.204  -5.861  13.763
   29   2HD1  ILE   4          HD11      ILE   4  80.389  -5.460  15.005
   30   3HD1  ILE   4          HD13      ILE   4  78.977  -4.432  14.769
   31    H    TYR   5           HN       TYR   5  78.035  -2.796  10.475
   32    HA   TYR   5           HA       TYR   5  77.674  -3.886   7.872
   33   1HB   TYR   5           HB2      TYR   5  76.339  -1.789   9.572
   34   2HB   TYR   5           HB1      TYR   5  75.757  -2.093   7.935
   35    HD1  TYR   5           HD1      TYR   5  76.209  -3.527  11.303
   36    HD2  TYR   5           HD2      TYR   5  74.707  -4.206   7.336
   37    HE1  TYR   5           HE1      TYR   5  74.988  -5.528  12.108
   38    HE2  TYR   5           HE2      TYR   5  73.484  -6.207   8.142
   39    HH   TYR   5           HH       TYR   5  73.977  -7.888  10.365
   40    H    LYS   6           HN       LYS   6  78.628  -0.612   8.915
   41    HA   LYS   6           HA       LYS   6  78.532   0.747   6.451
   42   1HB   LYS   6           HB2      LYS   6  80.496   0.909   8.759
   43   2HB   LYS   6           HB1      LYS   6  80.328   2.147   7.513
   44   1HG   LYS   6           HG2      LYS   6  77.782   2.058   8.168
   45   2HG   LYS   6           HG1      LYS   6  78.390   1.357   9.668
   46   1HD   LYS   6           HD2      LYS   6  79.759   3.807   8.663
   47   2HD   LYS   6           HD1      LYS   6  78.143   4.007   9.342
   48   1HE   LYS   6           HE2      LYS   6  78.975   3.813  11.436
   49   2HE   LYS   6           HE1      LYS   6  79.683   2.237  11.031
   50   1HZ   LYS   6           HZ2      LYS   6  81.507   3.401   9.922
   51   2HZ   LYS   6           HZ1      LYS   6  80.853   4.896  10.395
   52   3HZ   LYS   6           HZ3      LYS   6  81.426   3.813  11.569
   53    H    ALA   7           HN       ALA   7  81.040  -1.435   7.714
   54    HA   ALA   7           HA       ALA   7  83.037  -0.968   5.732
   55   1HB   ALA   7           HB3      ALA   7  82.958  -2.340   7.978
   56   2HB   ALA   7           HB2      ALA   7  82.477  -3.673   6.927
   57   3HB   ALA   7           HB1      ALA   7  84.028  -2.871   6.682
   58    H    ALA   8           HN       ALA   8  80.084  -2.891   5.681
   59    HA   ALA   8           HA       ALA   8  80.758  -4.331   3.225
   60   1HB   ALA   8           HB3      ALA   8  78.861  -4.422   5.329
   61   2HB   ALA   8           HB2      ALA   8  77.940  -4.194   3.842
   62   3HB   ALA   8           HB1      ALA   8  79.035  -5.569   4.000
   63    H    VAL   9           HN       VAL   9  78.828  -1.471   4.088
   64    HA   VAL   9           HA       VAL   9  77.576  -1.021   1.569
   65    HB   VAL   9           HB       VAL   9  78.561   0.942   3.667
   66   1HG1  VAL   9          HG11      VAL   9  77.801   1.886   1.437
   67   2HG1  VAL   9          HG13      VAL   9  76.215   1.188   1.767
   68   3HG1  VAL   9          HG12      VAL   9  76.869   2.433   2.831
   69   1HG2  VAL   9          HG22      VAL   9  76.734  -1.188   3.903
   70   2HG2  VAL   9          HG21      VAL   9  76.943   0.153   5.028
   71   3HG2  VAL   9          HG23      VAL   9  75.743   0.262   3.741
   72    H    GLU  10           HN       GLU  10  80.792  -0.105   2.779
   73    HA   GLU  10           HA       GLU  10  81.449   1.554   0.474
   74   1HB   GLU  10           HB2      GLU  10  82.474   0.885   3.050
   75   2HB   GLU  10           HB1      GLU  10  83.742   0.534   1.873
   76   1HG   GLU  10           HG2      GLU  10  82.712   2.957   0.993
   77   2HG   GLU  10           HG1      GLU  10  82.686   3.120   2.749
   78    H    GLN  11           HN       GLN  11  81.573  -1.851   1.192
   79    HA   GLN  11           HA       GLN  11  83.654  -2.612  -0.654
   80   1HB   GLN  11           HB2      GLN  11  81.838  -3.777   1.213
   81   2HB   GLN  11           HB1      GLN  11  81.653  -4.641  -0.314
   82   1HG   GLN  11           HG2      GLN  11  83.703  -5.591  -0.153
   83   2HG   GLN  11           HG1      GLN  11  84.452  -4.081   0.366
   84   1HE2  GLN  11          HE22      GLN  11  84.123  -4.793   3.840
   85   2HE2  GLN  11          HE21      GLN  11  84.414  -3.576   2.694
   86    H    LEU  12           HN       LEU  12  80.363  -1.622  -1.101
   87    HA   LEU  12           HA       LEU  12  79.696  -3.038  -3.495
   88   1HB   LEU  12           HB2      LEU  12  78.935  -0.257  -2.537
   89   2HB   LEU  12           HB1      LEU  12  78.052  -1.203  -3.735
   90    HG   LEU  12           HG       LEU  12  78.541  -2.049  -0.864
   91   1HD1  LEU  12          HD11      LEU  12  76.624  -0.263  -1.990
   92   2HD1  LEU  12          HD13      LEU  12  75.779  -1.752  -1.566
   93   3HD1  LEU  12          HD12      LEU  12  76.694  -0.876  -0.338
   94   1HD2  LEU  12          HD22      LEU  12  77.557  -3.409  -3.284
   95   2HD2  LEU  12          HD21      LEU  12  78.150  -4.096  -1.771
   96   3HD2  LEU  12          HD23      LEU  12  76.476  -3.555  -1.898
   97    H    THR  13           HN       THR  13  80.237  -2.646  -5.640
   98    HA   THR  13           HA       THR  13  82.559  -1.078  -6.280
   99    HB   THR  13           HB       THR  13  81.139  -1.532  -8.637
  100    HG1  THR  13           HG1      THR  13  80.608  -3.888  -7.913
  101   1HG2  THR  13          HG23      THR  13  83.365  -2.665  -7.154
  102   2HG2  THR  13          HG22      THR  13  82.518  -3.902  -8.082
  103   3HG2  THR  13          HG21      THR  13  83.165  -2.478  -8.896
  104    H    GLU  14           HN       GLU  14  82.719   1.017  -7.079
  105    HA   GLU  14           HA       GLU  14  80.782   2.978  -6.536
  106   1HB   GLU  14           HB2      GLU  14  83.156   2.706  -8.347
  107   2HB   GLU  14           HB1      GLU  14  82.163   4.160  -8.471
  108   1HG   GLU  14           HG2      GLU  14  82.730   4.899  -6.362
  109   2HG   GLU  14           HG1      GLU  14  82.954   3.266  -5.737
  110    H    GLU  15           HN       GLU  15  81.531   1.628  -9.782
  111    HA   GLU  15           HA       GLU  15  79.463   2.867 -11.226
  112   1HB   GLU  15           HB2      GLU  15  79.735   0.864 -12.727
  113   2HB   GLU  15           HB1      GLU  15  81.265   1.597 -12.245
  114   1HG   GLU  15           HG2      GLU  15  80.726  -0.238 -10.214
  115   2HG   GLU  15           HG1      GLU  15  80.247  -1.077 -11.690
  116    H    GLN  16           HN       GLN  16  79.267   0.230  -8.926
  117    HA   GLN  16           HA       GLN  16  76.665  -0.757  -9.785
  118   1HB   GLN  16           HB2      GLN  16  78.390  -2.041  -8.512
  119   2HB   GLN  16           HB1      GLN  16  78.123  -0.978  -7.130
  120   1HG   GLN  16           HG2      GLN  16  76.757  -2.879  -6.710
  121   2HG   GLN  16           HG1      GLN  16  75.647  -1.642  -7.302
  122   1HE2  GLN  16          HE22      GLN  16  74.840  -4.674  -9.256
  123   2HE2  GLN  16          HE21      GLN  16  74.678  -4.148  -7.650
  124    H    LYS  17           HN       LYS  17  77.536   0.833  -6.689
  125    HA   LYS  17           HA       LYS  17  74.895   1.595  -5.992
  126   1HB   LYS  17           HB2      LYS  17  76.015   2.990  -4.362
  127   2HB   LYS  17           HB1      LYS  17  76.999   1.542  -4.579
  128   1HG   LYS  17           HG2      LYS  17  78.202   2.970  -6.424
  129   2HG   LYS  17           HG1      LYS  17  77.512   4.337  -5.548
  130   1HD   LYS  17           HD2      LYS  17  78.500   2.862  -3.480
  131   2HD   LYS  17           HD1      LYS  17  79.671   2.482  -4.744
  132   1HE   LYS  17           HE2      LYS  17  80.426   4.475  -3.532
  133   2HE   LYS  17           HE1      LYS  17  79.918   4.960  -5.162
  134   1HZ   LYS  17           HZ3      LYS  17  77.760   4.836  -3.258
  135   2HZ   LYS  17           HZ2      LYS  17  78.930   6.002  -2.866
  136   3HZ   LYS  17           HZ1      LYS  17  78.148   6.054  -4.372
  137    H    ASN  18           HN       ASN  18  77.290   3.184  -8.051
  138    HA   ASN  18           HA       ASN  18  76.182   5.776  -8.247
  139   1HB   ASN  18           HB2      ASN  18  77.820   3.929  -9.923
  140   2HB   ASN  18           HB1      ASN  18  77.130   5.335 -10.736
  141   1HD2  ASN  18          HD22      ASN  18  80.390   6.450  -9.371
  142   2HD2  ASN  18          HD21      ASN  18  79.860   5.368 -10.567
  143    H    GLU  19           HN       GLU  19  75.266   2.756  -9.878
  144    HA   GLU  19           HA       GLU  19  73.340   3.926 -11.681
  145   1HB   GLU  19           HB2      GLU  19  74.449   1.383 -10.994
  146   2HB   GLU  19           HB1      GLU  19  72.693   1.230 -10.934
  147   1HG   GLU  19           HG2      GLU  19  72.431   1.758 -13.184
  148   2HG   GLU  19           HG1      GLU  19  73.943   2.664 -13.252
  149    H    PHE  20           HN       PHE  20  73.048   2.360  -8.479
  150    HA   PHE  20           HA       PHE  20  70.239   2.473  -8.178
  151   1HB   PHE  20           HB2      PHE  20  72.637   2.544  -6.367
  152   2HB   PHE  20           HB1      PHE  20  71.030   2.751  -5.668
  153    HD1  PHE  20           HD1      PHE  20  71.820   0.711  -8.670
  154    HD2  PHE  20           HD2      PHE  20  70.859   0.673  -4.483
  155    HE1  PHE  20           HE1      PHE  20  71.458  -1.739  -8.774
  156    HE2  PHE  20           HE2      PHE  20  70.496  -1.777  -4.587
  157    HZ   PHE  20           HZ       PHE  20  70.796  -2.984  -6.733
  158    H    LYS  21           HN       LYS  21  72.714   4.961  -7.584
  159    HA   LYS  21           HA       LYS  21  71.312   6.951  -6.253
  160   1HB   LYS  21           HB2      LYS  21  73.695   6.889  -7.218
  161   2HB   LYS  21           HB1      LYS  21  72.981   7.443  -8.733
  162   1HG   LYS  21           HG2      LYS  21  72.486   9.530  -7.900
  163   2HG   LYS  21           HG1      LYS  21  72.247   8.934  -6.257
  164   1HD   LYS  21           HD2      LYS  21  74.274  10.203  -6.206
  165   2HD   LYS  21           HD1      LYS  21  74.761   8.508  -6.185
  166   1HE   LYS  21           HE2      LYS  21  76.168   9.474  -7.839
  167   2HE   LYS  21           HE1      LYS  21  74.856   8.750  -8.790
  168   1HZ   LYS  21           HZ3      LYS  21  74.706  11.517  -7.750
  169   2HZ   LYS  21           HZ2      LYS  21  75.382  11.168  -9.269
  170   3HZ   LYS  21           HZ1      LYS  21  73.754  10.798  -8.955
  171    H    ALA  22           HN       ALA  22  71.449   6.731  -9.832
  172    HA   ALA  22           HA       ALA  22  69.473   8.624 -10.451
  173   1HB   ALA  22           HB2      ALA  22  71.077   7.002 -11.838
  174   2HB   ALA  22           HB1      ALA  22  69.603   6.044 -11.964
  175   3HB   ALA  22           HB3      ALA  22  69.634   7.698 -12.574
  176    H    ALA  23           HN       ALA  23  69.066   5.173  -9.643
  177    HA   ALA  23           HA       ALA  23  66.214   5.088 -10.039
  178   1HB   ALA  23           HB2      ALA  23  67.942   3.197  -9.865
  179   2HB   ALA  23           HB1      ALA  23  67.870   3.433  -8.119
  180   3HB   ALA  23           HB3      ALA  23  66.427   2.938  -9.002
  181    H    PHE  24           HN       PHE  24  68.245   5.600  -7.140
  182    HA   PHE  24           HA       PHE  24  66.351   5.718  -5.112
  183   1HB   PHE  24           HB2      PHE  24  68.661   6.025  -4.623
  184   2HB   PHE  24           HB1      PHE  24  68.801   7.372  -5.752
  185    HD1  PHE  24           HD2      PHE  24  67.450   9.510  -5.245
  186    HD2  PHE  24           HD1      PHE  24  68.156   6.415  -2.352
  187    HE1  PHE  24           HE2      PHE  24  66.922  11.100  -3.417
  188    HE2  PHE  24           HE1      PHE  24  67.629   8.005  -0.523
  189    HZ   PHE  24           HZ       PHE  24  67.011  10.347  -1.055
  190    H    ASP  25           HN       ASP  25  67.117   8.262  -7.490
  191    HA   ASP  25           HA       ASP  25  65.296  10.228  -6.406
  192   1HB   ASP  25           HB2      ASP  25  66.627   9.797  -9.095
  193   2HB   ASP  25           HB1      ASP  25  65.706  11.247  -8.695
  194    H    ILE  26           HN       ILE  26  64.766   7.337  -8.143
  195    HA   ILE  26           HA       ILE  26  62.366   8.238  -9.572
  196    HB   ILE  26           HB       ILE  26  63.608   5.527  -9.044
  197   1HG1  ILE  26          HG12      ILE  26  63.864   7.610 -11.215
  198   2HG1  ILE  26          HG11      ILE  26  65.145   6.781 -10.333
  199   1HG2  ILE  26          HG23      ILE  26  61.063   5.801  -9.703
  200   2HG2  ILE  26          HG22      ILE  26  61.729   6.147 -11.299
  201   3HG2  ILE  26          HG21      ILE  26  62.064   4.600 -10.520
  202   1HD1  ILE  26          HD12      ILE  26  63.783   4.691 -11.506
  203   2HD1  ILE  26          HD11      ILE  26  63.691   5.947 -12.738
  204   3HD1  ILE  26          HD13      ILE  26  65.262   5.417 -12.136
  205    H    PHE  27           HN       PHE  27  63.138   6.557  -6.545
  206    HA   PHE  27           HA       PHE  27  60.378   5.755  -6.020
  207   1HB   PHE  27           HB2      PHE  27  62.694   6.009  -4.088
  208   2HB   PHE  27           HB1      PHE  27  61.337   4.884  -4.004
  209    HD1  PHE  27           HD2      PHE  27  61.079   3.653  -6.533
  210    HD2  PHE  27           HD1      PHE  27  64.693   4.916  -4.583
  211    HE1  PHE  27           HE2      PHE  27  62.371   1.997  -7.853
  212    HE2  PHE  27           HE1      PHE  27  65.983   3.261  -5.902
  213    HZ   PHE  27           HZ       PHE  27  64.822   1.802  -7.537
  214    H    VAL  28           HN       VAL  28  62.453   8.500  -5.206
  215    HA   VAL  28           HA       VAL  28  60.696   9.586  -3.159
  216    HB   VAL  28           HB       VAL  28  62.278  11.395  -3.205
  217   1HG1  VAL  28          HG13      VAL  28  63.026   8.762  -2.907
  218   2HG1  VAL  28          HG12      VAL  28  64.206   9.358  -4.074
  219   3HG1  VAL  28          HG11      VAL  28  64.038  10.150  -2.508
  220   1HG2  VAL  28          HG21      VAL  28  62.482  10.599  -6.036
  221   2HG2  VAL  28          HG23      VAL  28  62.705  12.184  -5.297
  222   3HG2  VAL  28          HG22      VAL  28  64.024  11.013  -5.289
  223    H    LEU  29           HN       LEU  29  60.214   9.262  -6.425
  224    HA   LEU  29           HA       LEU  29  59.445  11.693  -7.516
  225   1HB   LEU  29           HB2      LEU  29  58.940   8.914  -7.887
  226   2HB   LEU  29           HB1      LEU  29  57.389   9.745  -8.005
  227    HG   LEU  29           HG       LEU  29  58.336  11.304  -9.657
  228   1HD1  LEU  29          HD11      LEU  29  60.826   9.981  -8.781
  229   2HD1  LEU  29          HD13      LEU  29  60.691  10.208 -10.525
  230   3HD1  LEU  29          HD12      LEU  29  60.584  11.597  -9.444
  231   1HD2  LEU  29          HD23      LEU  29  58.263   8.370 -10.036
  232   2HD2  LEU  29          HD22      LEU  29  57.440   9.642 -10.939
  233   3HD2  LEU  29          HD21      LEU  29  59.126   9.262 -11.289
  234    H    GLY  30           HN       GLY  30  57.789   9.859  -4.987
  235   1HA   GLY  30           HA2      GLY  30  55.634  11.919  -4.919
  236   2HA   GLY  30           HA1      GLY  30  55.539  10.330  -4.158
  237    H    ALA  31           HN       ALA  31  58.572  11.831  -3.755
  238    HA   ALA  31           HA       ALA  31  58.035  12.213  -0.876
  239   1HB   ALA  31           HB2      ALA  31  60.043  11.041  -1.815
  240   2HB   ALA  31           HB1      ALA  31  60.553  12.568  -2.534
  241   3HB   ALA  31           HB3      ALA  31  60.471  12.403  -0.781
  242    H    GLU  32           HN       GLU  32  58.646  14.255   0.197
  243    HA   GLU  32           HA       GLU  32  57.825  16.610  -1.373
  244   1HB   GLU  32           HB2      GLU  32  58.678  16.299   1.524
  245   2HB   GLU  32           HB1      GLU  32  57.797  17.664   0.836
  246   1HG   GLU  32           HG2      GLU  32  55.849  16.591   1.165
  247   2HG   GLU  32           HG1      GLU  32  56.402  15.256   0.154
  248    H    ASP  33           HN       ASP  33  60.685  15.657   0.575
  249    HA   ASP  33           HA       ASP  33  62.224  17.867  -0.719
  250   1HB   ASP  33           HB2      ASP  33  63.822  17.324   1.170
  251   2HB   ASP  33           HB1      ASP  33  62.223  17.849   1.700
  252    H    GLY  34           HN       GLY  34  61.962  14.386  -0.544
  253   1HA   GLY  34           HA2      GLY  34  62.994  13.295  -2.616
  254   2HA   GLY  34           HA1      GLY  34  64.471  14.144  -2.155
  255    H    CYS  35           HN       CYS  35  62.242  11.572  -1.203
  256    HA   CYS  35           HA       CYS  35  64.477  10.211   0.185
  257   1HB   CYS  35           HB2      CYS  35  62.060  11.445   1.455
  258   2HB   CYS  35           HB1      CYS  35  62.672   9.933   2.127
  259    HG   CYS  35           HG       CYS  35  64.083  11.667   3.345
  260    H    ILE  36           HN       ILE  36  63.880   7.938   0.714
  261    HA   ILE  36           HA       ILE  36  61.687   6.937  -1.071
  262    HB   ILE  36           HB       ILE  36  63.975   5.263  -0.067
  263   1HG1  ILE  36          HG12      ILE  36  64.144   7.176  -2.420
  264   2HG1  ILE  36          HG11      ILE  36  64.996   7.382  -0.887
  265   1HG2  ILE  36          HG22      ILE  36  61.878   5.097  -2.052
  266   2HG2  ILE  36          HG21      ILE  36  63.457   4.905  -2.816
  267   3HG2  ILE  36          HG23      ILE  36  62.979   3.837  -1.495
  268   1HD1  ILE  36          HD13      ILE  36  65.372   4.719  -2.055
  269   2HD1  ILE  36          HD12      ILE  36  65.974   6.017  -3.087
  270   3HD1  ILE  36          HD11      ILE  36  66.572   5.854  -1.436
  271    H    SER  37           HN       SER  37  60.450   7.549   1.092
  272    HA   SER  37           HA       SER  37  60.669   6.191   3.518
  273   1HB   SER  37           HB2      SER  37  58.267   6.621   3.697
  274   2HB   SER  37           HB1      SER  37  59.036   7.971   2.867
  275    HG   SER  37           HG       SER  37  57.070   7.071   1.880
  276    H    THR  38           HN       THR  38  58.990   4.397   4.209
  277    HA   THR  38           HA       THR  38  59.660   1.962   2.814
  278    HB   THR  38           HB       THR  38  58.359   0.954   4.556
  279    HG1  THR  38           HG1      THR  38  56.608   1.854   5.309
  280   1HG2  THR  38          HG23      THR  38  60.352   2.691   5.113
  281   2HG2  THR  38          HG22      THR  38  59.045   3.432   6.038
  282   3HG2  THR  38          HG21      THR  38  59.515   1.762   6.357
  283    H    LYS  39           HN       LYS  39  56.643   3.870   3.054
  284    HA   LYS  39           HA       LYS  39  54.836   2.300   1.660
  285   1HB   LYS  39           HB2      LYS  39  55.320   5.127   2.188
  286   2HB   LYS  39           HB1      LYS  39  54.486   4.889   0.652
  287   1HG   LYS  39           HG2      LYS  39  53.440   3.176   2.784
  288   2HG   LYS  39           HG1      LYS  39  53.278   4.895   3.147
  289   1HD   LYS  39           HD2      LYS  39  51.592   5.091   1.670
  290   2HD   LYS  39           HD1      LYS  39  52.600   4.426   0.384
  291   1HE   LYS  39           HE2      LYS  39  52.057   2.143   1.740
  292   2HE   LYS  39           HE1      LYS  39  50.577   3.063   2.084
  293   1HZ   LYS  39           HZ1      LYS  39  50.745   3.676  -0.409
  294   2HZ   LYS  39           HZ3      LYS  39  51.708   2.284  -0.523
  295   3HZ   LYS  39           HZ2      LYS  39  50.105   2.164   0.027
  296    H    GLU  40           HN       GLU  40  57.404   4.338   0.253
  297    HA   GLU  40           HA       GLU  40  56.713   3.349  -2.467
  298   1HB   GLU  40           HB2      GLU  40  57.892   5.704  -1.237
  299   2HB   GLU  40           HB1      GLU  40  58.921   5.090  -2.531
  300   1HG   GLU  40           HG2      GLU  40  57.521   6.285  -3.877
  301   2HG   GLU  40           HG1      GLU  40  56.470   4.881  -3.700
  302    H    LEU  41           HN       LEU  41  57.773   1.378  -0.716
  303    HA   LEU  41           HA       LEU  41  60.529   0.990  -1.843
  304   1HB   LEU  41           HB2      LEU  41  60.271   1.477   0.646
  305   2HB   LEU  41           HB1      LEU  41  59.430  -0.068   0.776
  306    HG   LEU  41           HG       LEU  41  61.898  -0.191   1.287
  307   1HD1  LEU  41          HD12      LEU  41  60.283  -1.981   0.023
  308   2HD1  LEU  41          HD11      LEU  41  61.578  -1.827  -1.163
  309   3HD1  LEU  41          HD13      LEU  41  61.948  -2.330   0.486
  310   1HD2  LEU  41          HD23      LEU  41  62.459   1.498  -0.550
  311   2HD2  LEU  41          HD22      LEU  41  63.494   0.072  -0.479
  312   3HD2  LEU  41          HD21      LEU  41  62.226   0.181  -1.699
  313    H    GLY  42           HN       GLY  42  57.563  -0.656  -0.709
  314   1HA   GLY  42           HA2      GLY  42  58.147  -3.296  -1.390
  315   2HA   GLY  42           HA1      GLY  42  56.532  -2.600  -1.545
  316    H    LYS  43           HN       LYS  43  56.249  -1.204  -3.596
  317    HA   LYS  43           HA       LYS  43  56.557  -2.737  -5.925
  318   1HB   LYS  43           HB2      LYS  43  55.899  -0.712  -7.055
  319   2HB   LYS  43           HB1      LYS  43  55.132  -0.676  -5.466
  320   1HG   LYS  43           HG2      LYS  43  57.122   0.669  -4.651
  321   2HG   LYS  43           HG1      LYS  43  57.628   0.801  -6.335
  322   1HD   LYS  43           HD2      LYS  43  55.480   1.860  -6.910
  323   2HD   LYS  43           HD1      LYS  43  54.954   1.716  -5.233
  324   1HE   LYS  43           HE2      LYS  43  56.889   3.135  -4.532
  325   2HE   LYS  43           HE1      LYS  43  57.310   3.351  -6.243
  326   1HZ   LYS  43           HZ1      LYS  43  54.877   4.004  -6.521
  327   2HZ   LYS  43           HZ3      LYS  43  54.849   4.195  -4.837
  328   3HZ   LYS  43           HZ2      LYS  43  55.903   5.137  -5.779
  329    H    VAL  44           HN       VAL  44  58.787  -0.361  -4.514
  330    HA   VAL  44           HA       VAL  44  60.605  -0.149  -6.707
  331    HB   VAL  44           HB       VAL  44  60.958   0.045  -3.698
  332   1HG1  VAL  44          HG11      VAL  44  62.858   0.304  -5.938
  333   2HG1  VAL  44          HG13      VAL  44  62.847   1.682  -4.837
  334   3HG1  VAL  44          HG12      VAL  44  63.171   0.062  -4.219
  335   1HG2  VAL  44          HG22      VAL  44  60.062   1.884  -5.876
  336   2HG2  VAL  44          HG21      VAL  44  59.519   1.782  -4.202
  337   3HG2  VAL  44          HG23      VAL  44  61.049   2.572  -4.587
  338    H    MET  45           HN       MET  45  60.821  -2.211  -3.774
  339    HA   MET  45           HA       MET  45  63.133  -3.654  -4.336
  340   1HB   MET  45           HB2      MET  45  60.500  -4.253  -3.029
  341   2HB   MET  45           HB1      MET  45  61.666  -5.564  -3.217
  342   1HG   MET  45           HG2      MET  45  62.720  -2.987  -2.169
  343   2HG   MET  45           HG1      MET  45  61.682  -3.914  -1.087
  344   1HE   MET  45           HE3      MET  45  64.816  -3.077  -2.262
  345   2HE   MET  45           HE2      MET  45  65.024  -3.388  -0.540
  346   3HE   MET  45           HE1      MET  45  65.966  -4.304  -1.714
  347    H    ARG  46           HN       ARG  46  59.942  -3.999  -5.822
  348    HA   ARG  46           HA       ARG  46  60.443  -6.493  -7.181
  349   1HB   ARG  46           HB2      ARG  46  58.609  -4.166  -7.847
  350   2HB   ARG  46           HB1      ARG  46  58.440  -5.814  -8.453
  351   1HG   ARG  46           HG2      ARG  46  58.602  -5.432  -5.495
  352   2HG   ARG  46           HG1      ARG  46  57.097  -4.984  -6.301
  353   1HD   ARG  46           HD2      ARG  46  58.396  -7.653  -6.863
  354   2HD   ARG  46           HD1      ARG  46  57.315  -7.437  -5.471
  355    HE   ARG  46           HE       ARG  46  56.528  -7.199  -8.318
  356   1HH1  ARG  46          HH11      ARG  46  54.650  -5.535  -8.116
  357   2HH1  ARG  46          HH12      ARG  46  53.446  -6.035  -6.976
  358   1HH2  ARG  46          HH21      ARG  46  55.475  -8.416  -5.479
  359   2HH2  ARG  46          HH22      ARG  46  53.914  -7.667  -5.482
  360    H    MET  47           HN       MET  47  60.896  -3.077  -8.081
  361    HA   MET  47           HA       MET  47  61.610  -3.492 -10.819
  362   1HB   MET  47           HB2      MET  47  62.418  -1.381  -8.791
  363   2HB   MET  47           HB1      MET  47  62.611  -1.220 -10.537
  364   1HG   MET  47           HG2      MET  47  59.926  -2.034 -10.052
  365   2HG   MET  47           HG1      MET  47  60.278  -0.701  -8.953
  366   1HE   MET  47           HE3      MET  47  61.700   1.033  -9.504
  367   2HE   MET  47           HE2      MET  47  62.165   1.633 -11.095
  368   3HE   MET  47           HE1      MET  47  60.669   2.194 -10.353
  369    H    LEU  48           HN       LEU  48  63.806  -2.784  -8.068
  370    HA   LEU  48           HA       LEU  48  66.257  -3.275  -9.311
  371   1HB   LEU  48           HB2      LEU  48  65.354  -3.999  -6.504
  372   2HB   LEU  48           HB1      LEU  48  67.029  -3.770  -7.007
  373    HG   LEU  48           HG       LEU  48  64.826  -1.698  -6.915
  374   1HD1  LEU  48          HD12      LEU  48  66.136  -2.194  -4.838
  375   2HD1  LEU  48          HD11      LEU  48  67.607  -1.761  -5.709
  376   3HD1  LEU  48          HD13      LEU  48  66.363  -0.545  -5.421
  377   1HD2  LEU  48          HD21      LEU  48  67.498  -1.676  -8.329
  378   2HD2  LEU  48          HD23      LEU  48  65.916  -1.233  -8.974
  379   3HD2  LEU  48          HD22      LEU  48  66.718  -0.184  -7.806
  380    H    GLY  49           HN       GLY  49  64.867  -5.733  -7.117
  381   1HA   GLY  49           HA2      GLY  49  64.586  -7.887  -8.858
  382   2HA   GLY  49           HA1      GLY  49  66.304  -7.863  -8.460
  383    H    GLN  50           HN       GLN  50  63.606  -6.982  -6.318
  384    HA   GLN  50           HA       GLN  50  64.215  -9.409  -4.670
  385   1HB   GLN  50           HB2      GLN  50  63.991  -6.508  -3.809
  386   2HB   GLN  50           HB1      GLN  50  64.065  -7.862  -2.684
  387   1HG   GLN  50           HG2      GLN  50  66.173  -7.936  -4.725
  388   2HG   GLN  50           HG1      GLN  50  66.257  -6.516  -3.683
  389   1HE2  GLN  50          HE22      GLN  50  68.139  -9.099  -1.854
  390   2HE2  GLN  50          HE21      GLN  50  68.345  -8.130  -3.233
  391    H    ASN  51           HN       ASN  51  62.426  -9.868  -3.102
  392    HA   ASN  51           HA       ASN  51  59.802  -8.647  -3.845
  393   1HB   ASN  51           HB2      ASN  51  60.422 -11.617  -3.712
  394   2HB   ASN  51           HB1      ASN  51  58.865 -10.898  -4.126
  395   1HD2  ASN  51          HD22      ASN  51  61.130 -11.655  -7.177
  396   2HD2  ASN  51          HD21      ASN  51  60.925 -12.564  -5.758
  397    HA   PRO  52           HA       PRO  52  60.471  -9.390   0.709
  398   1HB   PRO  52           HB2      PRO  52  60.080  -6.798   1.494
  399   2HB   PRO  52           HB1      PRO  52  61.669  -7.438   1.029
  400   1HG   PRO  52           HG2      PRO  52  59.767  -5.774  -0.541
  401   2HG   PRO  52           HG1      PRO  52  61.535  -5.718  -0.482
  402   1HD   PRO  52           HD2      PRO  52  60.116  -6.886  -2.507
  403   2HD   PRO  52           HD1      PRO  52  61.767  -7.363  -2.052
  404    H    THR  53           HN       THR  53  58.795  -8.495   2.480
  405    HA   THR  53           HA       THR  53  56.072  -8.678   1.237
  406    HB   THR  53           HB       THR  53  55.579  -9.490   3.667
  407    HG1  THR  53           HG1      THR  53  58.242 -10.253   3.726
  408   1HG2  THR  53          HG23      THR  53  57.299 -11.022   1.704
  409   2HG2  THR  53          HG22      THR  53  56.519 -11.770   3.098
  410   3HG2  THR  53          HG21      THR  53  55.540 -11.039   1.826
  411    HA   PRO  54           HA       PRO  54  54.961  -4.803   2.970
  412   1HB   PRO  54           HB2      PRO  54  52.477  -5.269   4.033
  413   2HB   PRO  54           HB1      PRO  54  52.780  -5.170   2.286
  414   1HG   PRO  54           HG2      PRO  54  52.459  -7.574   4.017
  415   2HG   PRO  54           HG1      PRO  54  51.858  -7.275   2.378
  416   1HD   PRO  54           HD2      PRO  54  54.048  -8.795   2.895
  417   2HD   PRO  54           HD1      PRO  54  53.847  -7.862   1.396
  418    H    GLU  55           HN       GLU  55  55.023  -7.604   5.031
  419    HA   GLU  55           HA       GLU  55  54.722  -6.129   7.549
  420   1HB   GLU  55           HB2      GLU  55  54.268  -8.656   6.811
  421   2HB   GLU  55           HB1      GLU  55  55.942  -8.856   7.328
  422   1HG   GLU  55           HG2      GLU  55  55.168  -7.539   9.456
  423   2HG   GLU  55           HG1      GLU  55  53.551  -8.033   8.954
  424    H    GLU  56           HN       GLU  56  57.401  -7.718   5.790
  425    HA   GLU  56           HA       GLU  56  59.452  -6.888   7.669
  426   1HB   GLU  56           HB2      GLU  56  59.153  -8.301   5.101
  427   2HB   GLU  56           HB1      GLU  56  60.675  -7.424   5.250
  428   1HG   GLU  56           HG2      GLU  56  61.467  -9.084   6.544
  429   2HG   GLU  56           HG1      GLU  56  60.234  -8.694   7.744
  430    H    LEU  57           HN       LEU  57  58.031  -5.537   4.746
  431    HA   LEU  57           HA       LEU  57  59.810  -3.659   3.819
  432   1HB   LEU  57           HB2      LEU  57  57.180  -4.187   3.515
  433   2HB   LEU  57           HB1      LEU  57  57.065  -2.682   4.430
  434    HG   LEU  57           HG       LEU  57  59.020  -2.077   2.596
  435   1HD1  LEU  57          HD12      LEU  57  57.389  -4.293   1.564
  436   2HD1  LEU  57          HD11      LEU  57  57.413  -2.885   0.502
  437   3HD1  LEU  57          HD13      LEU  57  58.926  -3.659   0.974
  438   1HD2  LEU  57          HD23      LEU  57  56.966  -0.776   3.296
  439   2HD2  LEU  57          HD22      LEU  57  57.332  -0.678   1.574
  440   3HD2  LEU  57          HD21      LEU  57  56.041  -1.737   2.143
  441    H    GLN  58           HN       GLN  58  57.405  -2.682   6.287
  442    HA   GLN  58           HA       GLN  58  58.971  -0.382   7.101
  443   1HB   GLN  58           HB2      GLN  58  56.525  -0.473   7.176
  444   2HB   GLN  58           HB1      GLN  58  56.590  -1.816   8.318
  445   1HG   GLN  58           HG2      GLN  58  56.189   0.395   9.426
  446   2HG   GLN  58           HG1      GLN  58  57.656  -0.408   9.990
  447   1HE2  GLN  58          HE22      GLN  58  59.847   2.039   8.633
  448   2HE2  GLN  58          HE21      GLN  58  59.734   0.488   9.313
  449    H    GLU  59           HN       GLU  59  59.051  -3.717   7.995
  450    HA   GLU  59           HA       GLU  59  60.026  -3.315  10.722
  451   1HB   GLU  59           HB2      GLU  59  59.080  -5.409   9.055
  452   2HB   GLU  59           HB1      GLU  59  60.711  -5.861   9.555
  453   1HG   GLU  59           HG2      GLU  59  59.048  -4.715  11.706
  454   2HG   GLU  59           HG1      GLU  59  58.473  -6.260  11.080
  455    H    MET  60           HN       MET  60  61.530  -4.202   7.596
  456    HA   MET  60           HA       MET  60  64.226  -4.262   8.701
  457   1HB   MET  60           HB2      MET  60  63.057  -4.194   5.903
  458   2HB   MET  60           HB1      MET  60  64.774  -4.429   6.238
  459   1HG   MET  60           HG2      MET  60  62.709  -6.176   7.561
  460   2HG   MET  60           HG1      MET  60  63.278  -6.538   5.931
  461   1HE   MET  60           HE1      MET  60  64.982  -7.321   5.215
  462   2HE   MET  60           HE3      MET  60  66.568  -6.727   5.728
  463   3HE   MET  60           HE2      MET  60  66.082  -8.382   6.091
  464    H    ILE  61           HN       ILE  61  62.437  -1.977   6.601
  465    HA   ILE  61           HA       ILE  61  64.464  -0.055   6.214
  466    HB   ILE  61           HB       ILE  61  61.457  -0.005   6.416
  467   1HG1  ILE  61          HG12      ILE  61  63.231   0.690   4.073
  468   2HG1  ILE  61          HG11      ILE  61  62.849  -0.987   4.464
  469   1HG2  ILE  61          HG22      ILE  61  63.257   2.279   6.608
  470   2HG2  ILE  61          HG21      ILE  61  62.233   2.380   5.176
  471   3HG2  ILE  61          HG23      ILE  61  61.502   2.225   6.773
  472   1HD1  ILE  61          HD13      ILE  61  60.417   0.502   4.567
  473   2HD1  ILE  61          HD12      ILE  61  61.234   0.910   3.058
  474   3HD1  ILE  61          HD11      ILE  61  60.864  -0.773   3.433
  475    H    ASP  62           HN       ASP  62  61.951  -0.062   8.786
  476    HA   ASP  62           HA       ASP  62  63.040   2.190  10.207
  477   1HB   ASP  62           HB2      ASP  62  60.764   1.563  10.538
  478   2HB   ASP  62           HB1      ASP  62  61.197  -0.110  10.886
  479    H    GLU  63           HN       GLU  63  64.213  -0.978   9.860
  480    HA   GLU  63           HA       GLU  63  65.499  -1.062  12.536
  481   1HB   GLU  63           HB2      GLU  63  64.706  -2.896  10.413
  482   2HB   GLU  63           HB1      GLU  63  66.358  -3.204  10.949
  483   1HG   GLU  63           HG2      GLU  63  64.235  -2.750  13.017
  484   2HG   GLU  63           HG1      GLU  63  64.317  -4.318  12.215
  485    H    VAL  64           HN       VAL  64  66.378  -0.821   9.086
  486    HA   VAL  64           HA       VAL  64  69.247  -0.697   9.678
  487    HB   VAL  64           HB       VAL  64  68.015  -1.638   7.609
  488   1HG1  VAL  64          HG13      VAL  64  66.690   0.568   7.385
  489   2HG1  VAL  64          HG12      VAL  64  68.162   1.229   6.676
  490   3HG1  VAL  64          HG11      VAL  64  67.347  -0.133   5.907
  491   1HG2  VAL  64          HG22      VAL  64  70.556  -0.837   7.971
  492   2HG2  VAL  64          HG21      VAL  64  69.977  -1.445   6.420
  493   3HG2  VAL  64          HG23      VAL  64  70.096   0.293   6.698
  494    H    ASP  65           HN       ASP  65  66.609   1.567   9.291
  495    HA   ASP  65           HA       ASP  65  67.794   3.946   8.492
  496   1HB   ASP  65           HB2      ASP  65  65.413   3.299   9.392
  497   2HB   ASP  65           HB1      ASP  65  66.054   3.831  10.948
  498    H    GLU  66           HN       GLU  66  69.347   5.315   9.344
  499    HA   GLU  66           HA       GLU  66  70.641   4.490  11.900
  500   1HB   GLU  66           HB2      GLU  66  71.956   4.735   9.802
  501   2HB   GLU  66           HB1      GLU  66  71.470   6.429   9.713
  502   1HG   GLU  66           HG2      GLU  66  72.446   6.584  12.130
  503   2HG   GLU  66           HG1      GLU  66  73.289   5.094  11.704
  504    H    ASP  67           HN       ASP  67  69.794   7.584  10.279
  505    HA   ASP  67           HA       ASP  67  69.926   9.156  12.683
  506   1HB   ASP  67           HB2      ASP  67  68.659  10.785  11.195
  507   2HB   ASP  67           HB1      ASP  67  70.145  10.146  10.491
  508    H    GLY  68           HN       GLY  68  67.479   7.075  11.355
  509   1HA   GLY  68           HA2      GLY  68  65.464   6.364  12.364
  510   2HA   GLY  68           HA1      GLY  68  65.802   7.451  13.712
  511    H    SER  69           HN       SER  69  65.803   8.574  10.389
  512    HA   SER  69           HA       SER  69  63.808  10.609  11.009
  513   1HB   SER  69           HB2      SER  69  64.181  10.667   8.305
  514   2HB   SER  69           HB1      SER  69  65.282  11.418   9.457
  515    HG   SER  69           HG       SER  69  66.168   9.864   7.842
  516    H    GLY  70           HN       GLY  70  63.619   7.353  10.050
  517   1HA   GLY  70           HA2      GLY  70  61.541   6.167   9.799
  518   2HA   GLY  70           HA1      GLY  70  60.748   7.694   9.401
  519    H    THR  71           HN       THR  71  62.660   8.557   7.429
  520    HA   THR  71           HA       THR  71  61.765   6.855   5.175
  521    HB   THR  71           HB       THR  71  62.374   8.775   3.857
  522    HG1  THR  71           HG1      THR  71  63.900  10.106   4.455
  523   1HG2  THR  71          HG23      THR  71  61.267   9.578   6.556
  524   2HG2  THR  71          HG22      THR  71  61.294  10.651   5.159
  525   3HG2  THR  71          HG21      THR  71  60.353   9.162   5.107
  526    H    VAL  72           HN       VAL  72  63.380   6.239   3.492
  527    HA   VAL  72           HA       VAL  72  66.012   5.536   4.730
  528    HB   VAL  72           HB       VAL  72  64.875   4.347   2.203
  529   1HG1  VAL  72          HG11      VAL  72  66.825   3.619   4.348
  530   2HG1  VAL  72          HG13      VAL  72  65.951   2.313   3.548
  531   3HG1  VAL  72          HG12      VAL  72  66.951   3.415   2.602
  532   1HG2  VAL  72          HG22      VAL  72  63.699   4.215   4.896
  533   2HG2  VAL  72          HG21      VAL  72  63.009   3.730   3.348
  534   3HG2  VAL  72          HG23      VAL  72  64.072   2.628   4.223
  535    H    ASP  73           HN       ASP  73  67.660   6.851   4.049
  536    HA   ASP  73           HA       ASP  73  67.394   8.334   1.492
  537   1HB   ASP  73           HB2      ASP  73  69.400   9.515   2.407
  538   2HB   ASP  73           HB1      ASP  73  68.042   9.516   3.533
  539    H    PHE  74           HN       PHE  74  69.719   8.569   0.381
  540    HA   PHE  74           HA       PHE  74  70.365   6.156  -0.917
  541   1HB   PHE  74           HB2      PHE  74  70.938   8.619  -1.433
  542   2HB   PHE  74           HB1      PHE  74  72.323   8.392  -0.365
  543    HD1  PHE  74           HD1      PHE  74  70.603   6.679  -3.227
  544    HD2  PHE  74           HD2      PHE  74  74.320   7.628  -1.295
  545    HE1  PHE  74           HE1      PHE  74  71.842   5.573  -5.068
  546    HE2  PHE  74           HE2      PHE  74  75.560   6.522  -3.137
  547    HZ   PHE  74           HZ       PHE  74  74.320   5.494  -5.022
  548    H    ASP  75           HN       ASP  75  71.534   7.437   2.148
  549    HA   ASP  75           HA       ASP  75  73.816   5.676   2.420
  550   1HB   ASP  75           HB2      ASP  75  72.245   7.622   4.003
  551   2HB   ASP  75           HB1      ASP  75  73.057   6.380   4.957
  552    H    GLU  76           HN       GLU  76  70.817   5.667   4.376
  553    HA   GLU  76           HA       GLU  76  71.079   3.012   5.338
  554   1HB   GLU  76           HB2      GLU  76  68.709   4.831   4.827
  555   2HB   GLU  76           HB1      GLU  76  68.571   3.308   5.706
  556   1HG   GLU  76           HG2      GLU  76  69.814   4.076   7.510
  557   2HG   GLU  76           HG1      GLU  76  70.683   5.264   6.538
  558    H    PHE  77           HN       PHE  77  69.275   4.247   2.507
  559    HA   PHE  77           HA       PHE  77  68.001   1.970   1.574
  560   1HB   PHE  77           HB2      PHE  77  68.125   4.311   0.587
  561   2HB   PHE  77           HB1      PHE  77  69.665   3.844  -0.135
  562    HD1  PHE  77           HD1      PHE  77  66.455   1.966   0.342
  563    HD2  PHE  77           HD2      PHE  77  69.345   3.523  -2.429
  564    HE1  PHE  77           HE1      PHE  77  65.252   0.871  -1.529
  565    HE2  PHE  77           HE2      PHE  77  68.141   2.429  -4.301
  566    HZ   PHE  77           HZ       PHE  77  66.093   1.104  -3.851
  567    H    LEU  78           HN       LEU  78  71.466   2.713   1.418
  568    HA   LEU  78           HA       LEU  78  72.182   0.467  -0.271
  569   1HB   LEU  78           HB2      LEU  78  73.503   2.551   1.405
  570   2HB   LEU  78           HB1      LEU  78  74.461   1.123   1.010
  571    HG   LEU  78           HG       LEU  78  73.062   2.947  -0.966
  572   1HD1  LEU  78          HD13      LEU  78  75.708   2.898   0.222
  573   2HD1  LEU  78          HD12      LEU  78  75.803   2.686  -1.527
  574   3HD1  LEU  78          HD11      LEU  78  74.994   4.101  -0.853
  575   1HD2  LEU  78          HD23      LEU  78  73.932   0.186  -1.155
  576   2HD2  LEU  78          HD22      LEU  78  73.080   1.164  -2.349
  577   3HD2  LEU  78          HD21      LEU  78  74.841   1.202  -2.273
  578    H    VAL  79           HN       VAL  79  72.663   1.060   3.240
  579    HA   VAL  79           HA       VAL  79  73.694  -1.409   4.021
  580    HB   VAL  79           HB       VAL  79  71.563   0.241   5.424
  581   1HG1  VAL  79          HG11      VAL  79  72.042  -1.965   6.462
  582   2HG1  VAL  79          HG13      VAL  79  73.755  -1.548   6.523
  583   3HG1  VAL  79          HG12      VAL  79  72.590  -0.631   7.476
  584   1HG2  VAL  79          HG23      VAL  79  74.159   0.976   4.545
  585   2HG2  VAL  79          HG22      VAL  79  73.099   1.879   5.627
  586   3HG2  VAL  79          HG21      VAL  79  74.268   0.736   6.288
  587    H    MET  80           HN       MET  80  70.241  -0.559   3.605
  588    HA   MET  80           HA       MET  80  69.056  -2.991   4.391
  589   1HB   MET  80           HB2      MET  80  68.416  -0.593   2.936
  590   2HB   MET  80           HB1      MET  80  67.709  -1.975   2.097
  591   1HG   MET  80           HG2      MET  80  67.418  -2.039   5.035
  592   2HG   MET  80           HG1      MET  80  66.549  -0.728   4.237
  593   1HE   MET  80           HE1      MET  80  64.597  -0.767   3.370
  594   2HE   MET  80           HE3      MET  80  64.993  -1.440   1.783
  595   3HE   MET  80           HE2      MET  80  63.631  -2.078   2.700
  596    H    MET  81           HN       MET  81  70.352  -2.069   1.189
  597    HA   MET  81           HA       MET  81  69.688  -4.521  -0.149
  598   1HB   MET  81           HB2      MET  81  71.445  -2.144  -0.534
  599   2HB   MET  81           HB1      MET  81  71.808  -3.564  -1.516
  600   1HG   MET  81           HG2      MET  81  70.234  -2.132  -2.715
  601   2HG   MET  81           HG1      MET  81  69.426  -3.628  -2.245
  602   1HE   MET  81           HE2      MET  81  69.052  -0.592  -3.021
  603   2HE   MET  81           HE1      MET  81  67.326  -0.758  -2.707
  604   3HE   MET  81           HE3      MET  81  68.276   0.448  -1.829
  605    H    VAL  82           HN       VAL  82  72.931  -3.398   0.912
  606    HA   VAL  82           HA       VAL  82  74.366  -5.767   0.572
  607    HB   VAL  82           HB       VAL  82  75.333  -3.618   1.230
  608   1HG1  VAL  82          HG13      VAL  82  73.905  -4.116   3.860
  609   2HG1  VAL  82          HG12      VAL  82  75.051  -2.810   3.563
  610   3HG1  VAL  82          HG11      VAL  82  73.519  -2.853   2.690
  611   1HG2  VAL  82          HG22      VAL  82  76.033  -6.113   2.320
  612   2HG2  VAL  82          HG21      VAL  82  77.062  -4.684   2.212
  613   3HG2  VAL  82          HG23      VAL  82  76.116  -4.981   3.671
  614    H    ARG  83           HN       ARG  83  72.261  -4.869   3.303
  615    HA   ARG  83           HA       ARG  83  72.884  -7.090   4.999
  616   1HB   ARG  83           HB2      ARG  83  70.563  -5.200   4.626
  617   2HB   ARG  83           HB1      ARG  83  70.475  -6.494   5.821
  618   1HG   ARG  83           HG2      ARG  83  72.867  -5.569   6.505
  619   2HG   ARG  83           HG1      ARG  83  72.256  -4.090   5.765
  620   1HD   ARG  83           HD2      ARG  83  71.708  -4.077   8.157
  621   2HD   ARG  83           HD1      ARG  83  70.208  -4.283   7.229
  622    HE   ARG  83           HE       ARG  83  71.124  -6.876   7.623
  623   1HH1  ARG  83          HH21      ARG  83  71.710  -4.693  10.037
  624   2HH1  ARG  83          HH22      ARG  83  70.654  -5.404  11.211
  625   1HH2  ARG  83          HH11      ARG  83  69.180  -7.585   8.953
  626   2HH2  ARG  83          HH12      ARG  83  69.224  -7.043  10.598
  627    H    CYS  84           HN       CYS  84  70.352  -6.645   2.513
  628    HA   CYS  84           HA       CYS  84  69.261  -9.326   2.860
  629   1HB   CYS  84           HB2      CYS  84  68.502  -6.920   1.715
  630   2HB   CYS  84           HB1      CYS  84  68.808  -7.940   0.308
  631    HG   CYS  84           HG       CYS  84  66.613  -8.435   2.441
  632    H    MET  85           HN       MET  85  71.644  -7.800   0.738
  633    HA   MET  85           HA       MET  85  72.439 -10.511  -0.230
  634   1HB   MET  85           HB2      MET  85  72.561  -9.533  -2.533
  635   2HB   MET  85           HB1      MET  85  70.919  -9.535  -1.887
  636   1HG   MET  85           HG2      MET  85  70.824  -7.310  -2.195
  637   2HG   MET  85           HG1      MET  85  72.134  -7.117  -1.032
  638   1HE   MET  85           HE1      MET  85  73.234  -5.461  -1.546
  639   2HE   MET  85           HE3      MET  85  74.384  -5.212  -2.868
  640   3HE   MET  85           HE2      MET  85  72.706  -4.710  -3.051
  641    H    LYS  86           HN       LYS  86  74.522 -10.597   0.573
  642    HA   LYS  86           HA       LYS  86  76.185  -8.204   0.847
  643   1HB   LYS  86           HB2      LYS  86  76.481 -11.177   1.285
  644   2HB   LYS  86           HB1      LYS  86  77.858 -10.090   1.471
  645   1HG   LYS  86           HG2      LYS  86  76.939  -9.018   3.316
  646   2HG   LYS  86           HG1      LYS  86  75.283  -9.401   2.841
  647   1HD   LYS  86           HD2      LYS  86  75.362 -11.113   4.306
  648   2HD   LYS  86           HD1      LYS  86  76.501 -11.894   3.210
  649   1HE   LYS  86           HE2      LYS  86  78.317 -10.463   4.392
  650   2HE   LYS  86           HE1      LYS  86  77.097 -10.236   5.662
  651   1HZ   LYS  86           HZ3      LYS  86  76.788 -12.642   5.729
  652   2HZ   LYS  86           HZ2      LYS  86  78.003 -12.844   4.560
  653   3HZ   LYS  86           HZ1      LYS  86  78.391 -12.226   6.094
  654    H    ASP  87           HN       ASP  87  77.172 -11.271  -0.668
  655    HA   ASP  87           HA       ASP  87  77.828  -9.857  -3.199
  656   1HB   ASP  87           HB2      ASP  87  79.652 -10.125  -1.123
  657   2HB   ASP  87           HB1      ASP  87  80.039 -11.489  -2.172
  658    H    ASP  88           HN       ASP  88  78.920 -12.935  -1.754
  659    HA   ASP  88           HA       ASP  88  78.192 -14.406  -4.178
  660   1HB   ASP  88           HB2      ASP  88  80.205 -14.842  -2.772
  661   2HB   ASP  88           HB1      ASP  88  79.147 -15.328  -1.447
  662    H    SER  89           HN       SER  89  75.843 -13.281  -3.221
  663    HA   SER  89           HA       SER  89  74.448 -15.511  -1.788
  664   1HB   SER  89           HB2      SER  89  73.590 -12.639  -2.244
  665   2HB   SER  89           HB1      SER  89  72.875 -13.790  -1.118
  666    HG   SER  89           HG       SER  89  74.830 -13.793   0.023
   
  No H/Q in entry =         666
  Start of MODEL    5
    1   1H    MET   1           HT3      MET   1  78.381  -0.287  20.137
    2   2H    MET   1           HT2      MET   1  78.352   1.330  20.658
    3   3H    MET   1           HT1      MET   1  76.897   0.503  20.366
    4    HA   MET   1           HA       MET   1  77.062   1.720  18.433
    5   1HB   MET   1           HB2      MET   1  79.847   1.664  19.343
    6   2HB   MET   1           HB1      MET   1  79.709   1.585  17.586
    7   1HG   MET   1           HG2      MET   1  78.681   3.662  17.434
    8   2HG   MET   1           HG1      MET   1  78.029   3.574  19.070
    9   1HE   MET   1           HE2      MET   1  79.293   3.291  20.986
   10   2HE   MET   1           HE1      MET   1  80.870   3.972  21.375
   11   3HE   MET   1           HE3      MET   1  79.466   5.033  21.190
   12    H    ASP   2           HN       ASP   2  77.083   0.930  16.224
   13    HA   ASP   2           HA       ASP   2  77.803  -1.976  15.978
   14   1HB   ASP   2           HB2      ASP   2  75.812  -1.969  14.373
   15   2HB   ASP   2           HB1      ASP   2  75.417  -1.721  16.075
   16    H    ASP   3           HN       ASP   3  78.581  -2.632  13.875
   17    HA   ASP   3           HA       ASP   3  79.093  -0.519  11.857
   18   1HB   ASP   3           HB2      ASP   3  80.903  -0.822  13.787
   19   2HB   ASP   3           HB1      ASP   3  81.407  -2.183  12.787
   20    H    ILE   4           HN       ILE   4  81.293  -2.608  10.980
   21    HA   ILE   4           HA       ILE   4  81.389  -4.479   9.546
   22    HB   ILE   4           HB       ILE   4  78.651  -5.128  10.658
   23   1HG1  ILE   4          HG12      ILE   4  81.345  -5.691  11.937
   24   2HG1  ILE   4          HG11      ILE   4  80.216  -4.455  12.494
   25   1HG2  ILE   4          HG23      ILE   4  80.936  -6.645   9.431
   26   2HG2  ILE   4          HG22      ILE   4  79.851  -7.463  10.556
   27   3HG2  ILE   4          HG21      ILE   4  79.211  -6.751   9.074
   28   1HD1  ILE   4          HD12      ILE   4  78.687  -6.806  12.240
   29   2HD1  ILE   4          HD11      ILE   4  80.193  -7.305  13.011
   30   3HD1  ILE   4          HD13      ILE   4  79.207  -6.037  13.740
   31    H    TYR   5           HN       TYR   5  77.897  -3.674   9.637
   32    HA   TYR   5           HA       TYR   5  77.545  -3.973   6.799
   33   1HB   TYR   5           HB2      TYR   5  76.000  -2.710   9.067
   34   2HB   TYR   5           HB1      TYR   5  75.384  -2.688   7.414
   35    HD1  TYR   5           HD2      TYR   5  75.316  -4.971   6.158
   36    HD2  TYR   5           HD1      TYR   5  75.635  -4.589  10.425
   37    HE1  TYR   5           HE2      TYR   5  74.504  -7.299   6.428
   38    HE2  TYR   5           HE1      TYR   5  74.824  -6.916  10.694
   39    HH   TYR   5           HH       TYR   5  73.492  -8.555   9.421
   40    H    LYS   6           HN       LYS   6  77.869  -1.065   8.868
   41    HA   LYS   6           HA       LYS   6  77.597   0.918   6.876
   42   1HB   LYS   6           HB2      LYS   6  78.358   0.670   9.591
   43   2HB   LYS   6           HB1      LYS   6  79.654   1.570   8.801
   44   1HG   LYS   6           HG2      LYS   6  77.837   3.021   7.754
   45   2HG   LYS   6           HG1      LYS   6  76.708   2.250   8.869
   46   1HD   LYS   6           HD2      LYS   6  77.332   3.725  10.448
   47   2HD   LYS   6           HD1      LYS   6  78.946   3.012  10.420
   48   1HE   LYS   6           HE2      LYS   6  78.181   5.027   8.314
   49   2HE   LYS   6           HE1      LYS   6  78.709   5.574   9.917
   50   1HZ   LYS   6           HZ2      LYS   6  80.562   3.846   9.604
   51   2HZ   LYS   6           HZ1      LYS   6  80.179   3.933   7.951
   52   3HZ   LYS   6           HZ3      LYS   6  80.698   5.323   8.773
   53    H    ALA   7           HN       ALA   7  80.196  -1.333   7.428
   54    HA   ALA   7           HA       ALA   7  82.132   0.222   5.813
   55   1HB   ALA   7           HB1      ALA   7  82.115  -2.336   7.409
   56   2HB   ALA   7           HB3      ALA   7  83.454  -1.978   6.318
   57   3HB   ALA   7           HB2      ALA   7  83.092  -0.890   7.657
   58    H    ALA   8           HN       ALA   8  79.766  -2.276   5.393
   59    HA   ALA   8           HA       ALA   8  80.962  -3.485   3.018
   60   1HB   ALA   8           HB1      ALA   8  79.311  -4.464   4.741
   61   2HB   ALA   8           HB3      ALA   8  78.067  -3.547   3.892
   62   3HB   ALA   8           HB2      ALA   8  78.973  -4.799   3.043
   63    H    VAL   9           HN       VAL   9  78.386  -1.094   3.643
   64    HA   VAL   9           HA       VAL   9  77.376  -0.725   1.054
   65    HB   VAL   9           HB       VAL   9  77.958   1.214   3.310
   66   1HG1  VAL   9          HG12      VAL   9  76.744   1.618   0.624
   67   2HG1  VAL   9          HG11      VAL   9  75.903   2.356   1.987
   68   3HG1  VAL   9          HG13      VAL   9  77.587   2.767   1.661
   69   1HG2  VAL   9          HG22      VAL   9  76.161  -0.902   3.087
   70   2HG2  VAL   9          HG21      VAL   9  76.038   0.438   4.226
   71   3HG2  VAL   9          HG23      VAL   9  75.187   0.512   2.683
   72    H    GLU  10           HN       GLU  10  80.281   0.770   2.508
   73    HA   GLU  10           HA       GLU  10  80.950   2.283   0.113
   74   1HB   GLU  10           HB2      GLU  10  81.695   3.156   2.176
   75   2HB   GLU  10           HB1      GLU  10  82.248   1.581   2.744
   76   1HG   GLU  10           HG2      GLU  10  84.181   2.942   2.140
   77   2HG   GLU  10           HG1      GLU  10  84.021   1.612   0.993
   78    H    GLN  11           HN       GLN  11  81.509  -0.966   1.220
   79    HA   GLN  11           HA       GLN  11  83.905  -1.509  -0.314
   80   1HB   GLN  11           HB2      GLN  11  82.015  -2.840   1.444
   81   2HB   GLN  11           HB1      GLN  11  82.439  -3.880   0.085
   82   1HG   GLN  11           HG2      GLN  11  84.528  -4.213   0.874
   83   2HG   GLN  11           HG1      GLN  11  84.768  -2.489   1.158
   84   1HE2  GLN  11          HE22      GLN  11  84.398  -2.869   4.628
   85   2HE2  GLN  11          HE21      GLN  11  85.063  -2.001   3.329
   86    H    LEU  12           HN       LEU  12  80.489  -1.414  -1.069
   87    HA   LEU  12           HA       LEU  12  80.259  -3.112  -3.285
   88   1HB   LEU  12           HB2      LEU  12  79.153  -0.342  -2.735
   89   2HB   LEU  12           HB1      LEU  12  78.561  -1.382  -4.031
   90    HG   LEU  12           HG       LEU  12  78.579  -2.069  -1.077
   91   1HD1  LEU  12          HD12      LEU  12  76.648  -0.769  -2.856
   92   2HD1  LEU  12          HD11      LEU  12  75.983  -2.189  -2.048
   93   3HD1  LEU  12          HD13      LEU  12  76.660  -0.868  -1.095
   94   1HD2  LEU  12          HD23      LEU  12  78.079  -3.628  -3.571
   95   2HD2  LEU  12          HD22      LEU  12  78.718  -4.168  -2.018
   96   3HD2  LEU  12          HD21      LEU  12  76.984  -3.914  -2.218
   97    H    THR  13           HN       THR  13  79.988  -2.063  -5.649
   98    HA   THR  13           HA       THR  13  82.661  -0.975  -6.339
   99    HB   THR  13           HB       THR  13  81.253  -1.402  -8.673
  100    HG1  THR  13           HG1      THR  13  79.907  -3.074  -8.360
  101   1HG2  THR  13          HG21      THR  13  82.905  -3.253  -6.950
  102   2HG2  THR  13          HG23      THR  13  82.361  -3.708  -8.565
  103   3HG2  THR  13          HG22      THR  13  83.426  -2.318  -8.351
  104    H    GLU  14           HN       GLU  14  82.919   1.012  -7.446
  105    HA   GLU  14           HA       GLU  14  81.159   3.159  -6.850
  106   1HB   GLU  14           HB2      GLU  14  83.614   2.623  -8.272
  107   2HB   GLU  14           HB1      GLU  14  82.626   3.751  -9.204
  108   1HG   GLU  14           HG2      GLU  14  83.683   5.257  -7.813
  109   2HG   GLU  14           HG1      GLU  14  82.297   4.862  -6.795
  110    H    GLU  15           HN       GLU  15  81.718   1.684 -10.075
  111    HA   GLU  15           HA       GLU  15  79.781   2.911 -11.598
  112   1HB   GLU  15           HB2      GLU  15  79.739   0.811 -12.875
  113   2HB   GLU  15           HB1      GLU  15  81.376   1.126 -12.298
  114   1HG   GLU  15           HG2      GLU  15  80.707  -0.311 -10.246
  115   2HG   GLU  15           HG1      GLU  15  79.370  -0.867 -11.254
  116    H    GLN  16           HN       GLN  16  79.237   0.346  -9.192
  117    HA   GLN  16           HA       GLN  16  76.426  -0.011  -9.767
  118   1HB   GLN  16           HB2      GLN  16  77.924  -1.626  -8.595
  119   2HB   GLN  16           HB1      GLN  16  78.029  -0.508  -7.236
  120   1HG   GLN  16           HG2      GLN  16  75.906  -0.970  -6.515
  121   2HG   GLN  16           HG1      GLN  16  75.288  -1.186  -8.153
  122   1HE2  GLN  16          HE22      GLN  16  77.255  -4.400  -6.481
  123   2HE2  GLN  16          HE21      GLN  16  77.800  -2.831  -6.131
  124    H    LYS  17           HN       LYS  17  77.933   1.444  -6.852
  125    HA   LYS  17           HA       LYS  17  75.732   2.687  -5.721
  126   1HB   LYS  17           HB2      LYS  17  78.651   3.261  -5.948
  127   2HB   LYS  17           HB1      LYS  17  77.638   4.552  -5.299
  128   1HG   LYS  17           HG2      LYS  17  77.274   3.441  -3.357
  129   2HG   LYS  17           HG1      LYS  17  77.005   1.909  -4.187
  130   1HD   LYS  17           HD2      LYS  17  79.013   1.771  -2.776
  131   2HD   LYS  17           HD1      LYS  17  79.451   1.648  -4.480
  132   1HE   LYS  17           HE2      LYS  17  80.736   3.508  -4.342
  133   2HE   LYS  17           HE1      LYS  17  79.406   4.430  -3.614
  134   1HZ   LYS  17           HZ2      LYS  17  79.867   3.134  -1.528
  135   2HZ   LYS  17           HZ1      LYS  17  81.311   2.609  -2.253
  136   3HZ   LYS  17           HZ3      LYS  17  81.064   4.260  -1.956
  137    H    ASN  18           HN       ASN  18  77.675   3.869  -8.462
  138    HA   ASN  18           HA       ASN  18  76.369   6.407  -8.766
  139   1HB   ASN  18           HB2      ASN  18  78.173   4.596 -10.257
  140   2HB   ASN  18           HB1      ASN  18  77.240   5.703 -11.265
  141   1HD2  ASN  18          HD22      ASN  18  80.444   7.328  -9.970
  142   2HD2  ASN  18          HD21      ASN  18  80.170   5.818 -10.695
  143    H    GLU  19           HN       GLU  19  75.803   3.235 -10.324
  144    HA   GLU  19           HA       GLU  19  73.605   4.100 -11.965
  145   1HB   GLU  19           HB2      GLU  19  75.175   1.929 -11.828
  146   2HB   GLU  19           HB1      GLU  19  73.799   1.309 -10.915
  147   1HG   GLU  19           HG2      GLU  19  73.574   2.588 -13.653
  148   2HG   GLU  19           HG1      GLU  19  73.652   0.848 -13.380
  149    H    PHE  20           HN       PHE  20  73.863   3.069  -8.616
  150    HA   PHE  20           HA       PHE  20  71.048   2.527  -8.194
  151   1HB   PHE  20           HB2      PHE  20  73.495   3.041  -6.517
  152   2HB   PHE  20           HB1      PHE  20  71.913   2.938  -5.748
  153    HD1  PHE  20           HD2      PHE  20  72.546   1.055  -8.822
  154    HD2  PHE  20           HD1      PHE  20  72.591   0.887  -4.529
  155    HE1  PHE  20           HE2      PHE  20  72.659  -1.418  -8.921
  156    HE2  PHE  20           HE1      PHE  20  72.703  -1.588  -4.628
  157    HZ   PHE  20           HZ       PHE  20  72.737  -2.741  -6.823
  158    H    LYS  21           HN       LYS  21  73.083   5.409  -8.015
  159    HA   LYS  21           HA       LYS  21  71.405   7.141  -6.532
  160   1HB   LYS  21           HB2      LYS  21  73.805   7.373  -7.545
  161   2HB   LYS  21           HB1      LYS  21  72.967   7.997  -8.965
  162   1HG   LYS  21           HG2      LYS  21  71.796   9.287  -6.740
  163   2HG   LYS  21           HG1      LYS  21  73.539   9.339  -6.475
  164   1HD   LYS  21           HD2      LYS  21  73.938  10.555  -8.424
  165   2HD   LYS  21           HD1      LYS  21  72.450  10.002  -9.192
  166   1HE   LYS  21           HE2      LYS  21  72.174  12.346  -8.544
  167   2HE   LYS  21           HE1      LYS  21  71.158  11.350  -7.483
  168   1HZ   LYS  21           HZ2      LYS  21  73.962  11.878  -6.757
  169   2HZ   LYS  21           HZ1      LYS  21  72.782  13.055  -6.432
  170   3HZ   LYS  21           HZ3      LYS  21  72.645  11.508  -5.748
  171    H    ALA  22           HN       ALA  22  71.448   6.486 -10.049
  172    HA   ALA  22           HA       ALA  22  69.354   8.294 -10.770
  173   1HB   ALA  22           HB2      ALA  22  71.059   6.362 -11.943
  174   2HB   ALA  22           HB1      ALA  22  69.416   5.896 -12.383
  175   3HB   ALA  22           HB3      ALA  22  70.013   7.507 -12.782
  176    H    ALA  23           HN       ALA  23  69.281   4.865  -9.790
  177    HA   ALA  23           HA       ALA  23  66.428   4.538 -10.189
  178   1HB   ALA  23           HB2      ALA  23  68.694   3.073  -8.875
  179   2HB   ALA  23           HB1      ALA  23  67.043   2.545  -8.549
  180   3HB   ALA  23           HB3      ALA  23  67.656   2.555 -10.203
  181    H    PHE  24           HN       PHE  24  68.457   5.610  -7.512
  182    HA   PHE  24           HA       PHE  24  66.592   5.344  -5.371
  183   1HB   PHE  24           HB2      PHE  24  68.924   5.784  -4.985
  184   2HB   PHE  24           HB1      PHE  24  68.874   7.244  -5.972
  185    HD1  PHE  24           HD1      PHE  24  67.464   9.209  -5.193
  186    HD2  PHE  24           HD2      PHE  24  68.356   5.842  -2.679
  187    HE1  PHE  24           HE1      PHE  24  66.865  10.544  -3.190
  188    HE2  PHE  24           HE2      PHE  24  67.757   7.177  -0.677
  189    HZ   PHE  24           HZ       PHE  24  67.010   9.528  -0.933
  190    H    ASP  25           HN       ASP  25  67.084   7.950  -7.748
  191    HA   ASP  25           HA       ASP  25  65.214   9.800  -6.543
  192   1HB   ASP  25           HB2      ASP  25  66.821   9.483  -9.010
  193   2HB   ASP  25           HB1      ASP  25  65.380  10.485  -9.184
  194    H    ILE  26           HN       ILE  26  64.870   7.043  -8.667
  195    HA   ILE  26           HA       ILE  26  62.262   7.774  -9.732
  196    HB   ILE  26           HB       ILE  26  63.758   5.146  -9.535
  197   1HG1  ILE  26          HG12      ILE  26  63.775   7.456 -11.471
  198   2HG1  ILE  26          HG11      ILE  26  65.142   6.589 -10.776
  199   1HG2  ILE  26          HG21      ILE  26  61.288   4.974  -9.982
  200   2HG2  ILE  26          HG23      ILE  26  61.526   5.975 -11.413
  201   3HG2  ILE  26          HG22      ILE  26  62.288   4.389 -11.312
  202   1HD1  ILE  26          HD11      ILE  26  64.253   4.539 -12.076
  203   2HD1  ILE  26          HD13      ILE  26  63.284   5.704 -12.979
  204   3HD1  ILE  26          HD12      ILE  26  65.044   5.812 -13.006
  205    H    PHE  27           HN       PHE  27  63.371   6.369  -6.759
  206    HA   PHE  27           HA       PHE  27  60.777   5.065  -6.184
  207   1HB   PHE  27           HB2      PHE  27  63.313   5.417  -4.555
  208   2HB   PHE  27           HB1      PHE  27  61.985   4.321  -4.174
  209    HD1  PHE  27           HD2      PHE  27  61.280   3.188  -6.778
  210    HD2  PHE  27           HD1      PHE  27  65.149   4.073  -5.133
  211    HE1  PHE  27           HE2      PHE  27  62.295   1.450  -8.231
  212    HE2  PHE  27           HE1      PHE  27  66.164   2.338  -6.586
  213    HZ   PHE  27           HZ       PHE  27  64.738   1.029  -8.135
  214    H    VAL  28           HN       VAL  28  62.394   8.083  -5.607
  215    HA   VAL  28           HA       VAL  28  60.651   8.767  -3.309
  216    HB   VAL  28           HB       VAL  28  62.115  10.818  -3.355
  217   1HG1  VAL  28          HG11      VAL  28  62.639   8.384  -2.349
  218   2HG1  VAL  28          HG13      VAL  28  63.981   8.501  -3.488
  219   3HG1  VAL  28          HG12      VAL  28  63.787   9.716  -2.225
  220   1HG2  VAL  28          HG21      VAL  28  62.489  10.424  -5.927
  221   2HG2  VAL  28          HG23      VAL  28  63.801  11.090  -4.952
  222   3HG2  VAL  28          HG22      VAL  28  63.802   9.378  -5.381
  223    H    LEU  29           HN       LEU  29  60.001   8.612  -6.448
  224    HA   LEU  29           HA       LEU  29  59.311  11.136  -7.445
  225   1HB   LEU  29           HB2      LEU  29  58.868   8.457  -8.051
  226   2HB   LEU  29           HB1      LEU  29  57.239   9.102  -7.836
  227    HG   LEU  29           HG       LEU  29  57.895  11.008  -9.368
  228   1HD1  LEU  29          HD11      LEU  29  60.413   9.449  -9.295
  229   2HD1  LEU  29          HD13      LEU  29  59.910  10.000 -10.895
  230   3HD1  LEU  29          HD12      LEU  29  60.160  11.168  -9.597
  231   1HD2  LEU  29          HD22      LEU  29  56.923   8.514  -9.949
  232   2HD2  LEU  29          HD21      LEU  29  57.065   9.819 -11.126
  233   3HD2  LEU  29          HD23      LEU  29  58.326   8.592 -11.015
  234    H    GLY  30           HN       GLY  30  58.368  12.681  -6.124
  235   1HA   GLY  30           HA2      GLY  30  56.117  13.520  -5.463
  236   2HA   GLY  30           HA1      GLY  30  55.798  11.917  -4.797
  237    H    ALA  31           HN       ALA  31  58.495  11.666  -3.638
  238    HA   ALA  31           HA       ALA  31  58.102  12.503  -1.013
  239   1HB   ALA  31           HB1      ALA  31  60.047  11.234  -2.472
  240   2HB   ALA  31           HB3      ALA  31  60.877  12.719  -2.008
  241   3HB   ALA  31           HB2      ALA  31  60.210  11.658  -0.768
  242    H    GLU  32           HN       GLU  32  59.075  14.317   0.206
  243    HA   GLU  32           HA       GLU  32  58.887  16.861  -1.296
  244   1HB   GLU  32           HB2      GLU  32  59.209  16.176   1.646
  245   2HB   GLU  32           HB1      GLU  32  58.898  17.794   1.014
  246   1HG   GLU  32           HG2      GLU  32  56.922  16.314  -0.203
  247   2HG   GLU  32           HG1      GLU  32  57.044  15.540   1.378
  248    H    ASP  33           HN       ASP  33  61.209  15.240   0.901
  249    HA   ASP  33           HA       ASP  33  63.319  17.180   0.155
  250   1HB   ASP  33           HB2      ASP  33  64.556  15.967   1.936
  251   2HB   ASP  33           HB1      ASP  33  62.965  16.485   2.494
  252    H    GLY  34           HN       GLY  34  62.187  14.107  -0.860
  253   1HA   GLY  34           HA2      GLY  34  63.078  13.051  -2.859
  254   2HA   GLY  34           HA1      GLY  34  64.652  13.756  -2.490
  255    H    CYS  35           HN       CYS  35  62.553  12.058  -0.203
  256    HA   CYS  35           HA       CYS  35  64.758  10.079   0.213
  257   1HB   CYS  35           HB2      CYS  35  62.871  11.577   1.868
  258   2HB   CYS  35           HB1      CYS  35  62.860   9.855   2.253
  259    HG   CYS  35           HG       CYS  35  65.268  11.763   2.631
  260    H    ILE  36           HN       ILE  36  64.142   7.811   0.484
  261    HA   ILE  36           HA       ILE  36  61.773   7.087  -1.169
  262    HB   ILE  36           HB       ILE  36  63.683   5.049  -0.114
  263   1HG1  ILE  36          HG12      ILE  36  64.460   7.227  -2.079
  264   2HG1  ILE  36          HG11      ILE  36  65.288   6.790  -0.584
  265   1HG2  ILE  36          HG21      ILE  36  62.474   5.671  -2.823
  266   2HG2  ILE  36          HG23      ILE  36  63.500   4.277  -2.480
  267   3HG2  ILE  36          HG22      ILE  36  61.928   4.430  -1.693
  268   1HD1  ILE  36          HD13      ILE  36  65.065   4.430  -2.174
  269   2HD1  ILE  36          HD12      ILE  36  65.692   5.716  -3.205
  270   3HD1  ILE  36          HD11      ILE  36  66.531   5.295  -1.713
  271    H    SER  37           HN       SER  37  60.375   7.745   0.751
  272    HA   SER  37           HA       SER  37  60.350   6.596   3.292
  273   1HB   SER  37           HB2      SER  37  58.018   7.132   1.427
  274   2HB   SER  37           HB1      SER  37  57.918   7.024   3.182
  275    HG   SER  37           HG       SER  37  59.131   8.857   3.354
  276    H    THR  38           HN       THR  38  59.146   4.740   4.153
  277    HA   THR  38           HA       THR  38  59.609   2.282   2.780
  278    HB   THR  38           HB       THR  38  59.288   2.799   5.272
  279    HG1  THR  38           HG1      THR  38  57.640   0.687   4.419
  280   1HG2  THR  38          HG23      THR  38  56.395   2.610   4.400
  281   2HG2  THR  38          HG22      THR  38  56.946   2.601   6.075
  282   3HG2  THR  38          HG21      THR  38  57.188   4.033   5.074
  283    H    LYS  39           HN       LYS  39  56.732   4.348   3.018
  284    HA   LYS  39           HA       LYS  39  54.755   2.667   1.943
  285   1HB   LYS  39           HB2      LYS  39  54.954   5.252   2.722
  286   2HB   LYS  39           HB1      LYS  39  54.907   5.478   0.973
  287   1HG   LYS  39           HG2      LYS  39  52.836   4.154   0.843
  288   2HG   LYS  39           HG1      LYS  39  52.883   3.901   2.589
  289   1HD   LYS  39           HD2      LYS  39  52.756   6.358   2.930
  290   2HD   LYS  39           HD1      LYS  39  52.641   6.578   1.183
  291   1HE   LYS  39           HE2      LYS  39  50.696   4.615   2.084
  292   2HE   LYS  39           HE1      LYS  39  50.489   6.157   2.941
  293   1HZ   LYS  39           HZ2      LYS  39  51.004   6.095   0.035
  294   2HZ   LYS  39           HZ1      LYS  39  49.424   5.914   0.632
  295   3HZ   LYS  39           HZ3      LYS  39  50.297   7.330   0.964
  296    H    GLU  40           HN       GLU  40  57.327   4.457   0.279
  297    HA   GLU  40           HA       GLU  40  56.411   3.314  -2.331
  298   1HB   GLU  40           HB2      GLU  40  57.316   5.853  -1.436
  299   2HB   GLU  40           HB1      GLU  40  58.571   5.216  -2.499
  300   1HG   GLU  40           HG2      GLU  40  55.801   4.828  -3.460
  301   2HG   GLU  40           HG1      GLU  40  56.343   6.506  -3.396
  302    H    LEU  41           HN       LEU  41  57.665   1.473  -0.645
  303    HA   LEU  41           HA       LEU  41  60.411   1.248  -1.836
  304   1HB   LEU  41           HB2      LEU  41  59.629   1.468   0.823
  305   2HB   LEU  41           HB1      LEU  41  59.872  -0.267   0.613
  306    HG   LEU  41           HG       LEU  41  61.866   1.930  -0.005
  307   1HD1  LEU  41          HD11      LEU  41  61.423   0.029   2.218
  308   2HD1  LEU  41          HD13      LEU  41  63.086   0.123   1.638
  309   3HD1  LEU  41          HD12      LEU  41  62.268   1.577   2.211
  310   1HD2  LEU  41          HD22      LEU  41  61.904  -1.047  -0.558
  311   2HD2  LEU  41          HD21      LEU  41  62.105   0.265  -1.718
  312   3HD2  LEU  41          HD23      LEU  41  63.366  -0.062  -0.529
  313    H    GLY  42           HN       GLY  42  57.510  -0.528  -0.768
  314   1HA   GLY  42           HA2      GLY  42  58.212  -3.150  -1.385
  315   2HA   GLY  42           HA1      GLY  42  56.588  -2.512  -1.648
  316    H    LYS  43           HN       LYS  43  56.620  -0.925  -3.709
  317    HA   LYS  43           HA       LYS  43  56.923  -2.503  -6.024
  318   1HB   LYS  43           HB2      LYS  43  56.892   0.474  -5.487
  319   2HB   LYS  43           HB1      LYS  43  56.918  -0.169  -7.129
  320   1HG   LYS  43           HG2      LYS  43  54.888  -1.554  -6.513
  321   2HG   LYS  43           HG1      LYS  43  54.810  -0.638  -5.008
  322   1HD   LYS  43           HD2      LYS  43  54.610   0.470  -7.821
  323   2HD   LYS  43           HD1      LYS  43  53.331   0.422  -6.608
  324   1HE   LYS  43           HE2      LYS  43  54.815   1.868  -5.132
  325   2HE   LYS  43           HE1      LYS  43  55.868   2.082  -6.544
  326   1HZ   LYS  43           HZ1      LYS  43  52.976   2.439  -6.874
  327   2HZ   LYS  43           HZ3      LYS  43  53.856   3.688  -6.139
  328   3HZ   LYS  43           HZ2      LYS  43  54.257   3.180  -7.710
  329    H    VAL  44           HN       VAL  44  59.166  -0.053  -4.693
  330    HA   VAL  44           HA       VAL  44  61.181  -0.061  -6.628
  331    HB   VAL  44           HB       VAL  44  61.438  -0.074  -3.602
  332   1HG1  VAL  44          HG11      VAL  44  63.311   0.467  -5.841
  333   2HG1  VAL  44          HG13      VAL  44  63.346   1.622  -4.509
  334   3HG1  VAL  44          HG12      VAL  44  63.648  -0.088  -4.201
  335   1HG2  VAL  44          HG23      VAL  44  60.526   1.938  -5.609
  336   2HG2  VAL  44          HG22      VAL  44  60.007   1.703  -3.940
  337   3HG2  VAL  44          HG21      VAL  44  61.532   2.519  -4.284
  338    H    MET  45           HN       MET  45  60.741  -2.378  -3.943
  339    HA   MET  45           HA       MET  45  63.087  -3.950  -4.555
  340   1HB   MET  45           HB2      MET  45  60.586  -4.208  -2.911
  341   2HB   MET  45           HB1      MET  45  61.624  -5.617  -3.123
  342   1HG   MET  45           HG2      MET  45  62.742  -2.953  -2.252
  343   2HG   MET  45           HG1      MET  45  62.101  -4.111  -1.086
  344   1HE   MET  45           HE3      MET  45  64.611  -3.636  -0.172
  345   2HE   MET  45           HE2      MET  45  66.075  -4.177  -0.990
  346   3HE   MET  45           HE1      MET  45  65.155  -2.826  -1.647
  347    H    ARG  46           HN       ARG  46  59.862  -3.832  -5.864
  348    HA   ARG  46           HA       ARG  46  59.901  -6.532  -6.993
  349   1HB   ARG  46           HB2      ARG  46  58.176  -4.115  -7.628
  350   2HB   ARG  46           HB1      ARG  46  57.783  -5.802  -7.964
  351   1HG   ARG  46           HG2      ARG  46  58.454  -5.106  -5.144
  352   2HG   ARG  46           HG1      ARG  46  56.898  -4.551  -5.760
  353   1HD   ARG  46           HD2      ARG  46  57.818  -7.422  -6.080
  354   2HD   ARG  46           HD1      ARG  46  56.876  -6.872  -4.680
  355    HE   ARG  46           HE       ARG  46  55.516  -5.860  -6.900
  356   1HH1  ARG  46          HH21      ARG  46  54.746  -8.121  -4.856
  357   2HH1  ARG  46          HH22      ARG  46  54.228  -9.344  -5.968
  358   1HH2  ARG  46          HH11      ARG  46  55.619  -7.792  -8.739
  359   2HH2  ARG  46          HH12      ARG  46  54.721  -9.157  -8.165
  360    H    MET  47           HN       MET  47  60.265  -3.214  -8.296
  361    HA   MET  47           HA       MET  47  60.768  -4.055 -11.011
  362   1HB   MET  47           HB2      MET  47  61.257  -1.726 -11.333
  363   2HB   MET  47           HB1      MET  47  59.999  -1.794 -10.098
  364   1HG   MET  47           HG2      MET  47  61.459  -0.388  -9.013
  365   2HG   MET  47           HG1      MET  47  62.143  -1.927  -8.492
  366   1HE   MET  47           HE2      MET  47  62.498   1.289 -10.336
  367   2HE   MET  47           HE1      MET  47  63.734   1.049 -11.568
  368   3HE   MET  47           HE3      MET  47  62.143   0.299 -11.750
  369    H    LEU  48           HN       LEU  48  62.803  -3.635  -8.170
  370    HA   LEU  48           HA       LEU  48  65.342  -3.614  -9.580
  371   1HB   LEU  48           HB2      LEU  48  64.412  -4.119  -6.746
  372   2HB   LEU  48           HB1      LEU  48  66.117  -4.188  -7.189
  373    HG   LEU  48           HG       LEU  48  64.427  -1.804  -7.922
  374   1HD1  LEU  48          HD12      LEU  48  64.386  -2.369  -5.400
  375   2HD1  LEU  48          HD11      LEU  48  66.102  -1.962  -5.415
  376   3HD1  LEU  48          HD13      LEU  48  64.904  -0.746  -5.858
  377   1HD2  LEU  48          HD22      LEU  48  67.378  -2.368  -7.540
  378   2HD2  LEU  48          HD21      LEU  48  66.554  -1.897  -9.027
  379   3HD2  LEU  48          HD23      LEU  48  66.734  -0.735  -7.713
  380    H    GLY  49           HN       GLY  49  63.165  -6.105  -8.409
  381   1HA   GLY  49           HA2      GLY  49  63.445  -8.306  -9.640
  382   2HA   GLY  49           HA1      GLY  49  65.160  -8.174  -9.243
  383    H    GLN  50           HN       GLN  50  63.384  -6.932  -6.696
  384    HA   GLN  50           HA       GLN  50  63.693  -9.491  -5.180
  385   1HB   GLN  50           HB2      GLN  50  63.362  -6.647  -4.178
  386   2HB   GLN  50           HB1      GLN  50  63.924  -8.040  -3.254
  387   1HG   GLN  50           HG2      GLN  50  65.541  -7.765  -5.617
  388   2HG   GLN  50           HG1      GLN  50  65.494  -6.222  -4.764
  389   1HE2  GLN  50          HE22      GLN  50  68.237  -7.998  -3.111
  390   2HE2  GLN  50          HE21      GLN  50  67.940  -7.166  -4.561
  391    H    ASN  51           HN       ASN  51  61.981  -9.879  -3.491
  392    HA   ASN  51           HA       ASN  51  59.347  -8.621  -4.095
  393   1HB   ASN  51           HB2      ASN  51  58.342 -10.842  -4.360
  394   2HB   ASN  51           HB1      ASN  51  59.668 -10.656  -5.506
  395   1HD2  ASN  51          HD22      ASN  51  59.880 -13.892  -3.416
  396   2HD2  ASN  51          HD21      ASN  51  58.524 -13.150  -4.119
  397    HA   PRO  52           HA       PRO  52  60.269  -9.475   0.408
  398   1HB   PRO  52           HB2      PRO  52  60.051  -6.881   1.256
  399   2HB   PRO  52           HB1      PRO  52  61.578  -7.589   0.691
  400   1HG   PRO  52           HG2      PRO  52  59.670  -5.813  -0.744
  401   2HG   PRO  52           HG1      PRO  52  61.440  -5.833  -0.779
  402   1HD   PRO  52           HD2      PRO  52  59.882  -6.898  -2.748
  403   2HD   PRO  52           HD1      PRO  52  61.521  -7.470  -2.372
  404    H    THR  53           HN       THR  53  58.764  -8.166   2.257
  405    HA   THR  53           HA       THR  53  55.959  -8.289   1.195
  406    HB   THR  53           HB       THR  53  55.385  -9.467   3.235
  407    HG1  THR  53           HG1      THR  53  57.983  -9.561   4.168
  408   1HG2  THR  53          HG21      THR  53  56.413 -10.827   1.454
  409   2HG2  THR  53          HG23      THR  53  58.008 -10.519   2.142
  410   3HG2  THR  53          HG22      THR  53  56.823 -11.459   3.050
  411    HA   PRO  54           HA       PRO  54  55.258  -4.405   3.113
  412   1HB   PRO  54           HB2      PRO  54  52.784  -4.707   4.254
  413   2HB   PRO  54           HB1      PRO  54  53.034  -4.556   2.502
  414   1HG   PRO  54           HG2      PRO  54  52.572  -6.998   4.144
  415   2HG   PRO  54           HG1      PRO  54  51.937  -6.577   2.545
  416   1HD   PRO  54           HD2      PRO  54  54.003  -8.297   2.905
  417   2HD   PRO  54           HD1      PRO  54  53.833  -7.280   1.458
  418    H    GLU  55           HN       GLU  55  54.628  -7.211   5.211
  419    HA   GLU  55           HA       GLU  55  54.753  -5.797   7.717
  420   1HB   GLU  55           HB2      GLU  55  54.607  -8.515   6.669
  421   2HB   GLU  55           HB1      GLU  55  55.629  -8.431   8.104
  422   1HG   GLU  55           HG2      GLU  55  52.776  -7.431   7.866
  423   2HG   GLU  55           HG1      GLU  55  53.324  -8.829   8.793
  424    H    GLU  56           HN       GLU  56  57.196  -7.106   5.548
  425    HA   GLU  56           HA       GLU  56  59.369  -6.827   7.525
  426   1HB   GLU  56           HB2      GLU  56  58.839  -8.118   4.993
  427   2HB   GLU  56           HB1      GLU  56  60.347  -7.210   4.897
  428   1HG   GLU  56           HG2      GLU  56  61.219  -8.340   6.859
  429   2HG   GLU  56           HG1      GLU  56  59.674  -9.151   7.126
  430    H    LEU  57           HN       LEU  57  58.298  -5.222   4.523
  431    HA   LEU  57           HA       LEU  57  60.280  -3.409   3.967
  432   1HB   LEU  57           HB2      LEU  57  57.717  -3.753   3.240
  433   2HB   LEU  57           HB1      LEU  57  57.516  -2.317   4.245
  434    HG   LEU  57           HG       LEU  57  59.502  -1.337   2.916
  435   1HD1  LEU  57          HD12      LEU  57  59.322  -3.942   1.754
  436   2HD1  LEU  57          HD11      LEU  57  58.885  -2.766   0.514
  437   3HD1  LEU  57          HD13      LEU  57  60.439  -2.642   1.339
  438   1HD2  LEU  57          HD23      LEU  57  56.970  -0.842   2.684
  439   2HD2  LEU  57          HD22      LEU  57  58.011  -0.395   1.332
  440   3HD2  LEU  57          HD21      LEU  57  57.040  -1.864   1.248
  441    H    GLN  58           HN       GLN  58  57.772  -2.859   6.480
  442    HA   GLN  58           HA       GLN  58  58.914  -0.402   7.450
  443   1HB   GLN  58           HB2      GLN  58  56.576  -1.674   7.730
  444   2HB   GLN  58           HB1      GLN  58  57.347  -2.242   9.212
  445   1HG   GLN  58           HG2      GLN  58  56.835   0.621   8.374
  446   2HG   GLN  58           HG1      GLN  58  56.201  -0.220   9.789
  447   1HE2  GLN  58          HE22      GLN  58  59.977   1.335   9.886
  448   2HE2  GLN  58          HE21      GLN  58  59.100   1.307   8.432
  449    H    GLU  59           HN       GLU  59  58.780  -3.547   9.166
  450    HA   GLU  59           HA       GLU  59  60.569  -3.099  11.218
  451   1HB   GLU  59           HB2      GLU  59  59.236  -5.209  10.295
  452   2HB   GLU  59           HB1      GLU  59  60.816  -5.630   9.632
  453   1HG   GLU  59           HG2      GLU  59  61.791  -5.318  11.925
  454   2HG   GLU  59           HG1      GLU  59  60.155  -5.092  12.540
  455    H    MET  60           HN       MET  60  61.529  -4.330   7.985
  456    HA   MET  60           HA       MET  60  64.283  -4.470   8.252
  457   1HB   MET  60           HB2      MET  60  62.307  -4.073   6.159
  458   2HB   MET  60           HB1      MET  60  63.814  -3.245   5.764
  459   1HG   MET  60           HG2      MET  60  64.948  -5.474   6.513
  460   2HG   MET  60           HG1      MET  60  63.349  -6.175   6.265
  461   1HE   MET  60           HE3      MET  60  66.453  -5.718   5.235
  462   2HE   MET  60           HE2      MET  60  66.058  -7.062   4.167
  463   3HE   MET  60           HE1      MET  60  66.593  -5.531   3.481
  464    H    ILE  61           HN       ILE  61  62.831  -1.572   6.747
  465    HA   ILE  61           HA       ILE  61  64.981   0.171   6.951
  466    HB   ILE  61           HB       ILE  61  62.004   0.625   7.296
  467   1HG1  ILE  61          HG12      ILE  61  63.527   1.407   4.860
  468   2HG1  ILE  61          HG11      ILE  61  63.318  -0.322   5.135
  469   1HG2  ILE  61          HG23      ILE  61  64.302   2.559   7.047
  470   2HG2  ILE  61          HG22      ILE  61  62.703   2.982   6.435
  471   3HG2  ILE  61          HG21      ILE  61  62.924   2.618   8.146
  472   1HD1  ILE  61          HD13      ILE  61  60.807   0.729   5.696
  473   2HD1  ILE  61          HD12      ILE  61  61.350   1.673   4.307
  474   3HD1  ILE  61          HD11      ILE  61  61.274  -0.087   4.204
  475    H    ASP  62           HN       ASP  62  62.566  -0.529   9.487
  476    HA   ASP  62           HA       ASP  62  63.496   1.380  11.404
  477   1HB   ASP  62           HB2      ASP  62  61.419  -0.349  11.142
  478   2HB   ASP  62           HB1      ASP  62  62.396  -1.218  12.327
  479    H    GLU  63           HN       GLU  63  65.040  -1.413  10.215
  480    HA   GLU  63           HA       GLU  63  66.621  -1.751  12.734
  481   1HB   GLU  63           HB2      GLU  63  66.258  -3.497  10.278
  482   2HB   GLU  63           HB1      GLU  63  67.220  -3.932  11.692
  483   1HG   GLU  63           HG2      GLU  63  64.325  -3.137  11.978
  484   2HG   GLU  63           HG1      GLU  63  64.776  -4.796  11.581
  485    H    VAL  64           HN       VAL  64  66.794  -0.582   9.477
  486    HA   VAL  64           HA       VAL  64  69.789  -0.557   9.616
  487    HB   VAL  64           HB       VAL  64  68.620  -1.758   7.737
  488   1HG1  VAL  64          HG11      VAL  64  67.069   0.614   7.734
  489   2HG1  VAL  64          HG13      VAL  64  67.959   0.597   6.212
  490   3HG1  VAL  64          HG12      VAL  64  66.922  -0.763   6.643
  491   1HG2  VAL  64          HG22      VAL  64  70.559   0.471   7.440
  492   2HG2  VAL  64          HG21      VAL  64  70.718  -1.226   6.988
  493   3HG2  VAL  64          HG23      VAL  64  69.830  -0.114   5.946
  494    H    ASP  65           HN       ASP  65  66.959   1.430   9.665
  495    HA   ASP  65           HA       ASP  65  67.742   3.856   8.520
  496   1HB   ASP  65           HB2      ASP  65  65.725   2.908  10.141
  497   2HB   ASP  65           HB1      ASP  65  66.524   4.073  11.196
  498    H    GLU  66           HN       GLU  66  69.039   5.605   9.211
  499    HA   GLU  66           HA       GLU  66  71.008   4.958  11.358
  500   1HB   GLU  66           HB2      GLU  66  70.905   6.643   8.882
  501   2HB   GLU  66           HB1      GLU  66  72.030   7.106  10.160
  502   1HG   GLU  66           HG2      GLU  66  72.722   4.591  10.131
  503   2HG   GLU  66           HG1      GLU  66  71.957   4.569   8.543
  504    H    ASP  67           HN       ASP  67  68.341   7.057  10.625
  505    HA   ASP  67           HA       ASP  67  69.010   8.750  13.013
  506   1HB   ASP  67           HB2      ASP  67  67.421  10.366  11.783
  507   2HB   ASP  67           HB1      ASP  67  68.994  10.085  11.037
  508    H    GLY  68           HN       GLY  68  66.797   6.484  11.662
  509   1HA   GLY  68           HA2      GLY  68  64.970   5.441  12.755
  510   2HA   GLY  68           HA1      GLY  68  65.145   6.594  14.079
  511    H    SER  69           HN       SER  69  65.175   8.446  11.370
  512    HA   SER  69           HA       SER  69  62.727   9.749  11.792
  513   1HB   SER  69           HB2      SER  69  63.132  10.651   9.544
  514   2HB   SER  69           HB1      SER  69  64.661  10.499  10.405
  515    HG   SER  69           HG       SER  69  64.287   9.588   8.104
  516    H    GLY  70           HN       GLY  70  63.426   7.063   9.534
  517   1HA   GLY  70           HA2      GLY  70  61.584   5.318   9.433
  518   2HA   GLY  70           HA1      GLY  70  60.471   6.675   9.260
  519    H    THR  71           HN       THR  71  62.813   7.928   7.590
  520    HA   THR  71           HA       THR  71  61.847   6.803   5.012
  521    HB   THR  71           HB       THR  71  63.157   8.894   4.213
  522    HG1  THR  71           HG1      THR  71  63.868  10.226   5.731
  523   1HG2  THR  71          HG22      THR  71  60.584   8.572   5.475
  524   2HG2  THR  71          HG21      THR  71  61.211  10.188   5.799
  525   3HG2  THR  71          HG23      THR  71  61.035   9.627   4.137
  526    H    VAL  72           HN       VAL  72  63.469   6.346   3.306
  527    HA   VAL  72           HA       VAL  72  66.006   5.263   4.469
  528    HB   VAL  72           HB       VAL  72  64.802   4.584   1.785
  529   1HG1  VAL  72          HG13      VAL  72  67.106   3.814   2.508
  530   2HG1  VAL  72          HG12      VAL  72  66.315   2.887   3.782
  531   3HG1  VAL  72          HG11      VAL  72  65.987   2.518   2.089
  532   1HG2  VAL  72          HG21      VAL  72  64.036   3.430   4.488
  533   2HG2  VAL  72          HG23      VAL  72  62.977   4.331   3.404
  534   3HG2  VAL  72          HG22      VAL  72  63.572   2.740   2.932
  535    H    ASP  73           HN       ASP  73  67.773   6.515   4.026
  536    HA   ASP  73           HA       ASP  73  67.721   8.333   1.667
  537   1HB   ASP  73           HB2      ASP  73  69.348   8.070   4.201
  538   2HB   ASP  73           HB1      ASP  73  69.855   9.142   2.895
  539    H    PHE  74           HN       PHE  74  69.723   8.416   0.311
  540    HA   PHE  74           HA       PHE  74  70.480   6.050  -0.905
  541   1HB   PHE  74           HB2      PHE  74  71.039   8.417  -1.561
  542   2HB   PHE  74           HB1      PHE  74  72.308   8.405  -0.335
  543    HD1  PHE  74           HD1      PHE  74  71.089   6.078  -3.025
  544    HD2  PHE  74           HD2      PHE  74  74.445   8.000  -1.154
  545    HE1  PHE  74           HE1      PHE  74  72.622   4.950  -4.615
  546    HE2  PHE  74           HE2      PHE  74  75.977   6.872  -2.745
  547    HZ   PHE  74           HZ       PHE  74  75.065   5.346  -4.474
  548    H    ASP  75           HN       ASP  75  71.771   7.411   2.094
  549    HA   ASP  75           HA       ASP  75  73.980   5.555   2.361
  550   1HB   ASP  75           HB2      ASP  75  72.447   7.423   4.178
  551   2HB   ASP  75           HB1      ASP  75  73.776   6.434   4.785
  552    H    GLU  76           HN       GLU  76  70.764   5.740   3.939
  553    HA   GLU  76           HA       GLU  76  71.058   3.156   5.247
  554   1HB   GLU  76           HB2      GLU  76  68.585   4.819   4.665
  555   2HB   GLU  76           HB1      GLU  76  68.759   3.603   5.930
  556   1HG   GLU  76           HG2      GLU  76  70.415   4.938   7.079
  557   2HG   GLU  76           HG1      GLU  76  70.470   6.096   5.751
  558    H    PHE  77           HN       PHE  77  69.245   4.341   2.404
  559    HA   PHE  77           HA       PHE  77  67.841   2.049   1.653
  560   1HB   PHE  77           HB2      PHE  77  67.787   4.284   0.569
  561   2HB   PHE  77           HB1      PHE  77  69.390   3.983  -0.102
  562    HD1  PHE  77           HD1      PHE  77  65.833   2.950  -0.190
  563    HD2  PHE  77           HD2      PHE  77  69.717   2.484  -1.963
  564    HE1  PHE  77           HE1      PHE  77  64.814   1.757  -2.112
  565    HE2  PHE  77           HE2      PHE  77  68.698   1.292  -3.884
  566    HZ   PHE  77           HZ       PHE  77  66.247   0.928  -3.959
  567    H    LEU  78           HN       LEU  78  71.292   2.768   1.154
  568    HA   LEU  78           HA       LEU  78  71.814   0.406  -0.460
  569   1HB   LEU  78           HB2      LEU  78  73.161   2.756   0.547
  570   2HB   LEU  78           HB1      LEU  78  74.170   1.334   0.812
  571    HG   LEU  78           HG       LEU  78  72.922   2.162  -1.825
  572   1HD1  LEU  78          HD13      LEU  78  75.103   3.268  -0.690
  573   2HD1  LEU  78          HD12      LEU  78  75.857   1.858  -1.435
  574   3HD1  LEU  78          HD11      LEU  78  74.968   3.012  -2.430
  575   1HD2  LEU  78          HD23      LEU  78  74.385  -0.290  -0.894
  576   2HD2  LEU  78          HD22      LEU  78  72.996  -0.165  -1.974
  577   3HD2  LEU  78          HD21      LEU  78  74.605   0.264  -2.555
  578    H    VAL  79           HN       VAL  79  72.249   1.233   2.986
  579    HA   VAL  79           HA       VAL  79  73.575  -1.157   3.796
  580    HB   VAL  79           HB       VAL  79  71.578   0.484   5.380
  581   1HG1  VAL  79          HG13      VAL  79  72.870  -1.701   6.194
  582   2HG1  VAL  79          HG12      VAL  79  74.184  -0.548   6.423
  583   3HG1  VAL  79          HG11      VAL  79  72.652  -0.316   7.265
  584   1HG2  VAL  79          HG21      VAL  79  73.846   1.423   3.966
  585   2HG2  VAL  79          HG23      VAL  79  72.912   2.291   5.185
  586   3HG2  VAL  79          HG22      VAL  79  74.321   1.344   5.663
  587    H    MET  80           HN       MET  80  70.187  -0.485   3.120
  588    HA   MET  80           HA       MET  80  69.030  -2.734   4.483
  589   1HB   MET  80           HB2      MET  80  68.071  -1.451   1.913
  590   2HB   MET  80           HB1      MET  80  67.092  -2.152   3.203
  591   1HG   MET  80           HG2      MET  80  68.593  -0.237   4.529
  592   2HG   MET  80           HG1      MET  80  68.231   0.538   2.986
  593   1HE   MET  80           HE1      MET  80  66.162  -0.324   1.873
  594   2HE   MET  80           HE3      MET  80  64.792  -1.070   2.707
  595   3HE   MET  80           HE2      MET  80  64.804   0.666   2.403
  596    H    MET  81           HN       MET  81  70.519  -2.348   1.294
  597    HA   MET  81           HA       MET  81  69.705  -4.946   0.279
  598   1HB   MET  81           HB2      MET  81  71.742  -2.835  -0.450
  599   2HB   MET  81           HB1      MET  81  71.610  -4.339  -1.364
  600   1HG   MET  81           HG2      MET  81  69.093  -3.798  -1.536
  601   2HG   MET  81           HG1      MET  81  69.539  -2.171  -1.021
  602   1HE   MET  81           HE1      MET  81  68.040  -2.266  -3.277
  603   2HE   MET  81           HE3      MET  81  68.771  -2.168  -4.885
  604   3HE   MET  81           HE2      MET  81  68.472  -3.737  -4.144
  605    H    VAL  82           HN       VAL  82  72.922  -3.702   1.274
  606    HA   VAL  82           HA       VAL  82  74.323  -6.142   1.271
  607    HB   VAL  82           HB       VAL  82  75.443  -4.041   1.524
  608   1HG1  VAL  82          HG12      VAL  82  73.523  -3.698   3.814
  609   2HG1  VAL  82          HG11      VAL  82  75.035  -2.790   3.788
  610   3HG1  VAL  82          HG13      VAL  82  73.866  -2.596   2.480
  611   1HG2  VAL  82          HG23      VAL  82  75.726  -6.110   3.526
  612   2HG2  VAL  82          HG22      VAL  82  76.974  -5.105   2.790
  613   3HG2  VAL  82          HG21      VAL  82  76.116  -4.538   4.224
  614    H    ARG  83           HN       ARG  83  71.921  -4.965   3.523
  615    HA   ARG  83           HA       ARG  83  72.624  -6.885   5.641
  616   1HB   ARG  83           HB2      ARG  83  70.541  -4.774   5.131
  617   2HB   ARG  83           HB1      ARG  83  70.318  -5.916   6.457
  618   1HG   ARG  83           HG2      ARG  83  72.651  -5.305   7.240
  619   2HG   ARG  83           HG1      ARG  83  72.628  -4.003   6.050
  620   1HD   ARG  83           HD2      ARG  83  71.906  -3.142   8.245
  621   2HD   ARG  83           HD1      ARG  83  70.532  -3.124   7.121
  622    HE   ARG  83           HE       ARG  83  69.650  -5.096   8.226
  623   1HH1  ARG  83          HH21      ARG  83  72.852  -4.503   9.244
  624   2HH1  ARG  83          HH22      ARG  83  72.611  -5.102  10.851
  625   1HH2  ARG  83          HH11      ARG  83  69.206  -5.608  10.437
  626   2HH2  ARG  83          HH12      ARG  83  70.548  -5.730  11.526
  627    H    CYS  84           HN       CYS  84  70.435  -6.691   2.902
  628    HA   CYS  84           HA       CYS  84  68.778  -8.955   3.771
  629   1HB   CYS  84           HB2      CYS  84  68.405  -6.815   2.160
  630   2HB   CYS  84           HB1      CYS  84  68.853  -8.014   0.946
  631    HG   CYS  84           HG       CYS  84  66.730  -9.275   1.370
  632    H    MET  85           HN       MET  85  71.158  -8.385   1.150
  633    HA   MET  85           HA       MET  85  71.239 -11.207   0.406
  634   1HB   MET  85           HB2      MET  85  72.855 -10.417  -1.207
  635   2HB   MET  85           HB1      MET  85  71.611  -9.173  -1.071
  636   1HG   MET  85           HG2      MET  85  72.997  -7.825   0.356
  637   2HG   MET  85           HG1      MET  85  74.179  -9.123   0.532
  638   1HE   MET  85           HE1      MET  85  72.492  -6.564  -1.381
  639   2HE   MET  85           HE3      MET  85  74.038  -5.732  -1.164
  640   3HE   MET  85           HE2      MET  85  73.484  -6.160  -2.781
  641    H    LYS  86           HN       LYS  86  72.688  -9.332   2.869
  642    HA   LYS  86           HA       LYS  86  74.506  -9.741   4.331
  643   1HB   LYS  86           HB2      LYS  86  73.170 -12.326   3.638
  644   2HB   LYS  86           HB1      LYS  86  74.648 -12.395   4.597
  645   1HG   LYS  86           HG2      LYS  86  73.154 -10.321   5.746
  646   2HG   LYS  86           HG1      LYS  86  71.976 -11.590   5.407
  647   1HD   LYS  86           HD2      LYS  86  72.758 -12.230   7.511
  648   2HD   LYS  86           HD1      LYS  86  73.797 -13.174   6.445
  649   1HE   LYS  86           HE2      LYS  86  75.141 -10.739   6.661
  650   2HE   LYS  86           HE1      LYS  86  74.531 -11.039   8.300
  651   1HZ   LYS  86           HZ3      LYS  86  75.718 -13.230   6.724
  652   2HZ   LYS  86           HZ2      LYS  86  76.722 -12.162   7.583
  653   3HZ   LYS  86           HZ1      LYS  86  75.563 -13.091   8.407
  654    H    ASP  87           HN       ASP  87  76.311  -8.994   3.094
  655    HA   ASP  87           HA       ASP  87  77.533 -10.459   0.945
  656   1HB   ASP  87           HB2      ASP  87  77.725  -7.977   2.035
  657   2HB   ASP  87           HB1      ASP  87  79.188  -8.714   2.689
  658    H    ASP  88           HN       ASP  88  80.294 -10.305   2.071
  659    HA   ASP  88           HA       ASP  88  81.811 -11.876   2.992
  660   1HB   ASP  88           HB2      ASP  88  79.666 -11.243   4.969
  661   2HB   ASP  88           HB1      ASP  88  80.761 -12.564   5.376
  662    H    SER  89           HN       SER  89  79.780 -12.980   1.172
  663    HA   SER  89           HA       SER  89  79.240 -15.650   2.413
  664   1HB   SER  89           HB2      SER  89  77.279 -14.533   1.575
  665   2HB   SER  89           HB1      SER  89  78.090 -14.113   0.068
  666    HG   SER  89           HG       SER  89  76.974 -15.896  -0.449
   
  No H/Q in entry =         666
  Start of MODEL    6
    1   1H    MET   1           HT3      MET   1  82.600  -1.398  15.905
    2   2H    MET   1           HT2      MET   1  82.342  -2.639  17.036
    3   3H    MET   1           HT1      MET   1  82.171  -1.014  17.500
    4    HA   MET   1           HA       MET   1  84.263  -1.272  18.291
    5   1HB   MET   1           HB2      MET   1  83.825  -3.744  17.441
    6   2HB   MET   1           HB1      MET   1  84.954  -3.279  16.168
    7   1HG   MET   1           HG2      MET   1  86.712  -2.913  17.688
    8   2HG   MET   1           HG1      MET   1  85.616  -2.766  19.062
    9   1HE   MET   1           HE2      MET   1  87.122  -4.133  20.379
   10   2HE   MET   1           HE1      MET   1  85.491  -4.662  20.787
   11   3HE   MET   1           HE3      MET   1  86.788  -5.850  20.597
   12    H    ASP   2           HN       ASP   2  84.042  -1.551  14.725
   13    HA   ASP   2           HA       ASP   2  85.536   0.967  14.420
   14   1HB   ASP   2           HB2      ASP   2  86.896  -1.475  14.612
   15   2HB   ASP   2           HB1      ASP   2  86.851  -1.128  12.884
   16    H    ASP   3           HN       ASP   3  83.078   0.862  13.521
   17    HA   ASP   3           HA       ASP   3  81.740   1.053  11.583
   18   1HB   ASP   3           HB2      ASP   3  84.434   0.833  10.205
   19   2HB   ASP   3           HB1      ASP   3  82.983   1.616   9.576
   20    H    ILE   4           HN       ILE   4  80.500  -0.649  10.936
   21    HA   ILE   4           HA       ILE   4  81.883  -3.120   9.938
   22    HB   ILE   4           HB       ILE   4  79.182  -2.952  11.297
   23   1HG1  ILE   4          HG12      ILE   4  81.001  -4.027  13.119
   24   2HG1  ILE   4          HG11      ILE   4  81.855  -2.644  12.432
   25   1HG2  ILE   4          HG23      ILE   4  80.734  -5.028  10.062
   26   2HG2  ILE   4          HG22      ILE   4  80.603  -5.367  11.788
   27   3HG2  ILE   4          HG21      ILE   4  79.146  -5.150  10.818
   28   1HD1  ILE   4          HD13      ILE   4  79.034  -2.531  13.535
   29   2HD1  ILE   4          HD12      ILE   4  80.473  -2.042  14.430
   30   3HD1  ILE   4          HD11      ILE   4  80.000  -1.167  12.974
   31    H    TYR   5           HN       TYR   5  78.544  -1.822   9.921
   32    HA   TYR   5           HA       TYR   5  77.915  -2.854   7.320
   33   1HB   TYR   5           HB2      TYR   5  76.791  -0.723   9.144
   34   2HB   TYR   5           HB1      TYR   5  76.043  -1.084   7.587
   35    HD1  TYR   5           HD2      TYR   5  75.011  -3.268   7.153
   36    HD2  TYR   5           HD1      TYR   5  76.760  -2.340  10.966
   37    HE1  TYR   5           HE2      TYR   5  73.883  -5.239   8.151
   38    HE2  TYR   5           HE1      TYR   5  75.632  -4.312  11.962
   39    HH   TYR   5           HH       TYR   5  73.933  -5.829  11.611
   40    H    LYS   6           HN       LYS   6  79.381   0.153   8.422
   41    HA   LYS   6           HA       LYS   6  79.082   1.803   6.155
   42   1HB   LYS   6           HB2      LYS   6  81.565   1.444   7.868
   43   2HB   LYS   6           HB1      LYS   6  81.065   2.911   7.026
   44   1HG   LYS   6           HG2      LYS   6  78.890   2.709   8.442
   45   2HG   LYS   6           HG1      LYS   6  79.841   1.630   9.462
   46   1HD   LYS   6           HD2      LYS   6  81.253   3.313  10.172
   47   2HD   LYS   6           HD1      LYS   6  81.057   4.248   8.689
   48   1HE   LYS   6           HE2      LYS   6  79.891   5.449  10.439
   49   2HE   LYS   6           HE1      LYS   6  78.644   4.680   9.434
   50   1HZ   LYS   6           HZ1      LYS   6  79.844   3.348  11.795
   51   2HZ   LYS   6           HZ3      LYS   6  78.441   4.294  11.906
   52   3HZ   LYS   6           HZ2      LYS   6  78.447   2.898  10.939
   53    H    ALA   7           HN       ALA   7  81.478  -0.748   6.810
   54    HA   ALA   7           HA       ALA   7  82.957  -0.418   4.352
   55   1HB   ALA   7           HB2      ALA   7  82.895  -2.071   6.732
   56   2HB   ALA   7           HB1      ALA   7  83.167  -3.070   5.305
   57   3HB   ALA   7           HB3      ALA   7  84.255  -1.729   5.662
   58    H    ALA   8           HN       ALA   8  80.392  -2.699   5.372
   59    HA   ALA   8           HA       ALA   8  80.196  -4.299   3.077
   60   1HB   ALA   8           HB3      ALA   8  78.899  -4.087   5.417
   61   2HB   ALA   8           HB2      ALA   8  77.703  -3.297   4.388
   62   3HB   ALA   8           HB1      ALA   8  78.200  -4.955   4.050
   63    H    VAL   9           HN       VAL   9  78.554  -1.181   3.704
   64    HA   VAL   9           HA       VAL   9  77.291  -1.050   1.103
   65    HB   VAL   9           HB       VAL   9  77.945   1.030   3.214
   66   1HG1  VAL   9          HG12      VAL   9  76.802   1.262   0.559
   67   2HG1  VAL   9          HG11      VAL   9  75.630   1.742   1.787
   68   3HG1  VAL   9          HG13      VAL   9  77.202   2.536   1.712
   69   1HG2  VAL   9          HG23      VAL   9  76.139  -1.159   3.188
   70   2HG2  VAL   9          HG22      VAL   9  76.232   0.141   4.376
   71   3HG2  VAL   9          HG21      VAL   9  75.169   0.298   2.977
   72    H    GLU  10           HN       GLU  10  80.109   0.654   2.520
   73    HA   GLU  10           HA       GLU  10  80.858   2.073   0.156
   74   1HB   GLU  10           HB2      GLU  10  81.586   2.104   2.729
   75   2HB   GLU  10           HB1      GLU  10  82.897   1.094   2.115
   76   1HG   GLU  10           HG2      GLU  10  82.281   3.503   0.503
   77   2HG   GLU  10           HG1      GLU  10  82.972   3.810   2.097
   78    H    GLN  11           HN       GLN  11  81.232  -1.265   1.052
   79    HA   GLN  11           HA       GLN  11  83.528  -1.942  -0.532
   80   1HB   GLN  11           HB2      GLN  11  81.481  -3.190   1.066
   81   2HB   GLN  11           HB1      GLN  11  81.688  -4.106  -0.426
   82   1HG   GLN  11           HG2      GLN  11  83.620  -4.966   0.338
   83   2HG   GLN  11           HG1      GLN  11  84.274  -3.343   0.558
   84   1HE2  GLN  11          HE22      GLN  11  84.279  -3.875   4.036
   85   2HE2  GLN  11          HE21      GLN  11  85.143  -3.395   2.655
   86    H    LEU  12           HN       LEU  12  80.291  -1.108  -1.393
   87    HA   LEU  12           HA       LEU  12  79.975  -2.594  -3.819
   88   1HB   LEU  12           HB2      LEU  12  78.943   0.075  -2.821
   89   2HB   LEU  12           HB1      LEU  12  78.354  -0.691  -4.295
   90    HG   LEU  12           HG       LEU  12  78.419  -2.289  -1.759
   91   1HD1  LEU  12          HD13      LEU  12  76.992   0.174  -2.053
   92   2HD1  LEU  12          HD12      LEU  12  75.826  -1.147  -2.099
   93   3HD1  LEU  12          HD11      LEU  12  76.914  -0.980  -0.723
   94   1HD2  LEU  12          HD21      LEU  12  76.580  -2.180  -4.173
   95   2HD2  LEU  12          HD23      LEU  12  77.851  -3.371  -3.896
   96   3HD2  LEU  12          HD22      LEU  12  76.439  -3.326  -2.840
   97    H    THR  13           HN       THR  13  80.862  -2.271  -5.835
   98    HA   THR  13           HA       THR  13  83.091  -0.523  -6.245
   99    HB   THR  13           HB       THR  13  82.760  -1.249  -8.621
  100    HG1  THR  13           HG1      THR  13  80.970  -2.445  -9.119
  101   1HG2  THR  13          HG21      THR  13  83.378  -2.793  -6.391
  102   2HG2  THR  13          HG23      THR  13  82.202  -3.773  -7.268
  103   3HG2  THR  13          HG22      THR  13  83.676  -3.235  -8.072
  104    H    GLU  14           HN       GLU  14  83.212   1.435  -7.481
  105    HA   GLU  14           HA       GLU  14  81.243   3.397  -7.105
  106   1HB   GLU  14           HB2      GLU  14  82.474   4.542  -8.994
  107   2HB   GLU  14           HB1      GLU  14  83.531   3.892  -7.740
  108   1HG   GLU  14           HG2      GLU  14  83.414   1.731  -9.335
  109   2HG   GLU  14           HG1      GLU  14  83.144   2.981 -10.550
  110    H    GLU  15           HN       GLU  15  81.705   1.248  -9.925
  111    HA   GLU  15           HA       GLU  15  79.635   2.350 -11.560
  112   1HB   GLU  15           HB2      GLU  15  79.824   0.124 -12.689
  113   2HB   GLU  15           HB1      GLU  15  81.396   0.853 -12.366
  114   1HG   GLU  15           HG2      GLU  15  81.764  -0.556 -10.466
  115   2HG   GLU  15           HG1      GLU  15  80.089  -1.109 -10.471
  116    H    GLN  16           HN       GLN  16  79.528   0.256  -8.770
  117    HA   GLN  16           HA       GLN  16  76.853  -0.802  -9.299
  118   1HB   GLN  16           HB2      GLN  16  78.641  -1.940  -7.975
  119   2HB   GLN  16           HB1      GLN  16  78.512  -0.667  -6.760
  120   1HG   GLN  16           HG2      GLN  16  77.142  -2.453  -5.963
  121   2HG   GLN  16           HG1      GLN  16  76.027  -1.253  -6.615
  122   1HE2  GLN  16          HE22      GLN  16  75.242  -4.704  -7.986
  123   2HE2  GLN  16          HE21      GLN  16  75.471  -4.133  -6.404
  124    H    LYS  17           HN       LYS  17  78.141   1.407  -6.777
  125    HA   LYS  17           HA       LYS  17  75.623   2.298  -5.801
  126   1HB   LYS  17           HB2      LYS  17  78.402   3.491  -5.925
  127   2HB   LYS  17           HB1      LYS  17  77.081   4.288  -5.071
  128   1HG   LYS  17           HG2      LYS  17  76.921   2.603  -3.465
  129   2HG   LYS  17           HG1      LYS  17  77.660   1.394  -4.517
  130   1HD   LYS  17           HD2      LYS  17  79.557   1.796  -3.341
  131   2HD   LYS  17           HD1      LYS  17  79.661   3.277  -4.293
  132   1HE   LYS  17           HE2      LYS  17  79.698   4.255  -2.203
  133   2HE   LYS  17           HE1      LYS  17  77.936   4.082  -2.341
  134   1HZ   LYS  17           HZ3      LYS  17  79.564   1.812  -1.413
  135   2HZ   LYS  17           HZ2      LYS  17  79.152   3.043  -0.316
  136   3HZ   LYS  17           HZ1      LYS  17  77.934   2.156  -1.101
  137    H    ASN  18           HN       ASN  18  77.515   3.297  -8.601
  138    HA   ASN  18           HA       ASN  18  76.187   5.789  -9.129
  139   1HB   ASN  18           HB2      ASN  18  77.981   3.854 -10.463
  140   2HB   ASN  18           HB1      ASN  18  77.005   4.828 -11.564
  141   1HD2  ASN  18          HD22      ASN  18  80.239   6.549 -10.207
  142   2HD2  ASN  18          HD21      ASN  18  80.007   4.896 -10.515
  143    H    GLU  19           HN       GLU  19  75.293   2.453  -9.666
  144    HA   GLU  19           HA       GLU  19  73.221   3.045 -11.655
  145   1HB   GLU  19           HB2      GLU  19  74.246   0.687 -10.102
  146   2HB   GLU  19           HB1      GLU  19  72.683   0.560 -10.909
  147   1HG   GLU  19           HG2      GLU  19  75.286   1.356 -12.247
  148   2HG   GLU  19           HG1      GLU  19  74.513  -0.225 -12.377
  149    H    PHE  20           HN       PHE  20  73.385   2.411  -8.161
  150    HA   PHE  20           HA       PHE  20  70.535   2.310  -7.715
  151   1HB   PHE  20           HB2      PHE  20  73.038   2.690  -6.095
  152   2HB   PHE  20           HB1      PHE  20  71.472   2.943  -5.326
  153    HD1  PHE  20           HD1      PHE  20  72.167   0.535  -8.070
  154    HD2  PHE  20           HD2      PHE  20  71.432   1.041  -3.868
  155    HE1  PHE  20           HE1      PHE  20  71.888  -1.915  -7.825
  156    HE2  PHE  20           HE2      PHE  20  71.153  -1.410  -3.623
  157    HZ   PHE  20           HZ       PHE  20  71.381  -2.888  -5.601
  158    H    LYS  21           HN       LYS  21  72.851   4.911  -8.073
  159    HA   LYS  21           HA       LYS  21  71.486   7.028  -6.753
  160   1HB   LYS  21           HB2      LYS  21  73.830   6.809  -7.908
  161   2HB   LYS  21           HB1      LYS  21  72.974   7.353  -9.351
  162   1HG   LYS  21           HG2      LYS  21  72.271   9.385  -8.254
  163   2HG   LYS  21           HG1      LYS  21  72.889   8.819  -6.702
  164   1HD   LYS  21           HD2      LYS  21  75.085   9.223  -7.271
  165   2HD   LYS  21           HD1      LYS  21  74.807   8.920  -8.986
  166   1HE   LYS  21           HE2      LYS  21  73.423  11.095  -8.984
  167   2HE   LYS  21           HE1      LYS  21  74.176  11.425  -7.410
  168   1HZ   LYS  21           HZ3      LYS  21  75.834  10.540  -9.678
  169   2HZ   LYS  21           HZ2      LYS  21  75.386  12.174  -9.557
  170   3HZ   LYS  21           HZ1      LYS  21  76.283  11.442  -8.314
  171    H    ALA  22           HN       ALA  22  71.375   6.134 -10.230
  172    HA   ALA  22           HA       ALA  22  69.380   7.970 -11.033
  173   1HB   ALA  22           HB1      ALA  22  70.551   5.409 -11.939
  174   2HB   ALA  22           HB3      ALA  22  68.940   5.740 -12.576
  175   3HB   ALA  22           HB2      ALA  22  70.250   6.888 -12.852
  176    H    ALA  23           HN       ALA  23  69.016   4.633  -9.799
  177    HA   ALA  23           HA       ALA  23  66.145   4.570  -9.929
  178   1HB   ALA  23           HB2      ALA  23  68.265   3.098  -8.346
  179   2HB   ALA  23           HB1      ALA  23  66.554   2.677  -8.245
  180   3HB   ALA  23           HB3      ALA  23  67.407   2.540  -9.783
  181    H    PHE  24           HN       PHE  24  68.438   5.615  -7.420
  182    HA   PHE  24           HA       PHE  24  66.756   5.852  -5.189
  183   1HB   PHE  24           HB2      PHE  24  69.128   6.305  -5.099
  184   2HB   PHE  24           HB1      PHE  24  68.972   7.624  -6.259
  185    HD1  PHE  24           HD2      PHE  24  66.560   6.954  -3.535
  186    HD2  PHE  24           HD1      PHE  24  69.841   9.389  -4.858
  187    HE1  PHE  24           HE2      PHE  24  66.133   8.539  -1.677
  188    HE2  PHE  24           HE1      PHE  24  69.415  10.975  -3.000
  189    HZ   PHE  24           HZ       PHE  24  67.560  10.550  -1.410
  190    H    ASP  25           HN       ASP  25  67.211   8.206  -7.846
  191    HA   ASP  25           HA       ASP  25  65.280  10.106  -6.821
  192   1HB   ASP  25           HB2      ASP  25  66.829   9.610  -9.338
  193   2HB   ASP  25           HB1      ASP  25  65.506  10.776  -9.384
  194    H    ILE  26           HN       ILE  26  64.906   7.066  -8.317
  195    HA   ILE  26           HA       ILE  26  62.406   7.710  -9.732
  196    HB   ILE  26           HB       ILE  26  63.960   5.179  -9.155
  197   1HG1  ILE  26          HG12      ILE  26  63.667   7.066 -11.497
  198   2HG1  ILE  26          HG11      ILE  26  65.147   6.527 -10.707
  199   1HG2  ILE  26          HG22      ILE  26  61.499   5.601 -10.878
  200   2HG2  ILE  26          HG21      ILE  26  62.450   4.118 -10.810
  201   3HG2  ILE  26          HG23      ILE  26  61.565   4.664  -9.385
  202   1HD1  ILE  26          HD12      ILE  26  64.435   4.153 -11.478
  203   2HD1  ILE  26          HD11      ILE  26  63.354   5.002 -12.583
  204   3HD1  ILE  26          HD13      ILE  26  65.096   5.255 -12.686
  205    H    PHE  27           HN       PHE  27  63.391   6.398  -6.612
  206    HA   PHE  27           HA       PHE  27  60.667   5.436  -5.993
  207   1HB   PHE  27           HB2      PHE  27  63.126   5.675  -4.233
  208   2HB   PHE  27           HB1      PHE  27  61.736   4.617  -3.984
  209    HD1  PHE  27           HD1      PHE  27  61.180   3.249  -6.352
  210    HD2  PHE  27           HD2      PHE  27  65.026   4.544  -4.944
  211    HE1  PHE  27           HE1      PHE  27  62.272   1.482  -7.710
  212    HE2  PHE  27           HE2      PHE  27  66.117   2.780  -6.304
  213    HZ   PHE  27           HZ       PHE  27  64.741   1.250  -7.687
  214    H    VAL  28           HN       VAL  28  62.741   8.208  -5.321
  215    HA   VAL  28           HA       VAL  28  61.057   9.269  -3.183
  216    HB   VAL  28           HB       VAL  28  62.645  11.125  -3.326
  217   1HG1  VAL  28          HG13      VAL  28  63.322   8.413  -2.934
  218   2HG1  VAL  28          HG12      VAL  28  64.642   9.115  -3.868
  219   3HG1  VAL  28          HG11      VAL  28  64.182   9.825  -2.322
  220   1HG2  VAL  28          HG23      VAL  28  63.208   9.884  -6.007
  221   2HG2  VAL  28          HG22      VAL  28  62.925  11.579  -5.608
  222   3HG2  VAL  28          HG21      VAL  28  64.461  10.818  -5.189
  223    H    LEU  29           HN       LEU  29  60.384   8.913  -6.359
  224    HA   LEU  29           HA       LEU  29  59.682  11.394  -7.452
  225   1HB   LEU  29           HB2      LEU  29  58.995   8.589  -7.736
  226   2HB   LEU  29           HB1      LEU  29  57.582   9.605  -8.033
  227    HG   LEU  29           HG       LEU  29  59.551  10.984  -9.363
  228   1HD1  LEU  29          HD12      LEU  29  60.082   8.011  -9.645
  229   2HD1  LEU  29          HD11      LEU  29  60.723   9.245 -10.730
  230   3HD1  LEU  29          HD13      LEU  29  61.203   9.226  -9.033
  231   1HD2  LEU  29          HD23      LEU  29  57.179   9.572  -9.944
  232   2HD2  LEU  29          HD22      LEU  29  58.022  10.708 -10.997
  233   3HD2  LEU  29          HD21      LEU  29  58.376   8.983 -11.099
  234    H    GLY  30           HN       GLY  30  58.946  12.833  -5.778
  235   1HA   GLY  30           HA2      GLY  30  56.720  13.845  -5.230
  236   2HA   GLY  30           HA1      GLY  30  56.191  12.221  -4.784
  237    H    ALA  31           HN       ALA  31  59.081  11.927  -3.637
  238    HA   ALA  31           HA       ALA  31  58.574  12.105  -0.920
  239   1HB   ALA  31           HB1      ALA  31  60.592  11.171  -2.063
  240   2HB   ALA  31           HB3      ALA  31  61.164  12.817  -2.332
  241   3HB   ALA  31           HB2      ALA  31  61.011  12.195  -0.689
  242    H    GLU  32           HN       GLU  32  59.286  13.745   0.698
  243    HA   GLU  32           HA       GLU  32  58.644  16.493  -0.233
  244   1HB   GLU  32           HB2      GLU  32  58.993  15.254   2.518
  245   2HB   GLU  32           HB1      GLU  32  58.400  16.885   2.206
  246   1HG   GLU  32           HG2      GLU  32  56.932  14.964   0.616
  247   2HG   GLU  32           HG1      GLU  32  56.867  14.525   2.323
  248    H    ASP  33           HN       ASP  33  61.365  14.572   0.673
  249    HA   ASP  33           HA       ASP  33  63.076  17.029   0.677
  250   1HB   ASP  33           HB2      ASP  33  64.359  15.961   2.532
  251   2HB   ASP  33           HB1      ASP  33  62.686  16.285   2.984
  252    H    GLY  34           HN       GLY  34  62.360  14.353  -0.984
  253   1HA   GLY  34           HA2      GLY  34  63.607  13.364  -2.748
  254   2HA   GLY  34           HA1      GLY  34  65.062  14.142  -2.120
  255    H    CYS  35           HN       CYS  35  62.832  12.155  -0.240
  256    HA   CYS  35           HA       CYS  35  65.074  10.214   0.200
  257   1HB   CYS  35           HB2      CYS  35  62.851  11.347   1.882
  258   2HB   CYS  35           HB1      CYS  35  63.559   9.790   2.310
  259    HG   CYS  35           HG       CYS  35  65.634  10.931   3.070
  260    H    ILE  36           HN       ILE  36  64.221   7.937   0.714
  261    HA   ILE  36           HA       ILE  36  61.994   7.295  -1.179
  262    HB   ILE  36           HB       ILE  36  63.865   5.256  -0.017
  263   1HG1  ILE  36          HG12      ILE  36  64.620   7.163  -2.260
  264   2HG1  ILE  36          HG11      ILE  36  65.322   7.181  -0.641
  265   1HG2  ILE  36          HG22      ILE  36  62.177   5.655  -2.426
  266   2HG2  ILE  36          HG21      ILE  36  63.696   4.796  -2.681
  267   3HG2  ILE  36          HG23      ILE  36  62.519   4.179  -1.521
  268   1HD1  ILE  36          HD11      ILE  36  65.600   4.540  -1.342
  269   2HD1  ILE  36          HD13      ILE  36  65.841   5.350  -2.889
  270   3HD1  ILE  36          HD12      ILE  36  66.864   5.758  -1.511
  271    H    SER  37           HN       SER  37  60.478   7.941   0.637
  272    HA   SER  37           HA       SER  37  60.293   6.772   3.172
  273   1HB   SER  37           HB2      SER  37  58.853   8.561   2.210
  274   2HB   SER  37           HB1      SER  37  58.066   7.358   1.192
  275    HG   SER  37           HG       SER  37  57.299   8.025   3.529
  276    H    THR  38           HN       THR  38  59.125   4.896   3.954
  277    HA   THR  38           HA       THR  38  59.585   2.455   2.617
  278    HB   THR  38           HB       THR  38  59.012   2.971   5.063
  279    HG1  THR  38           HG1      THR  38  57.773   0.944   5.197
  280   1HG2  THR  38          HG22      THR  38  56.722   4.008   3.975
  281   2HG2  THR  38          HG21      THR  38  56.172   2.421   4.511
  282   3HG2  THR  38          HG23      THR  38  56.900   3.539   5.665
  283    H    LYS  39           HN       LYS  39  56.960   4.745   2.269
  284    HA   LYS  39           HA       LYS  39  54.904   3.158   1.184
  285   1HB   LYS  39           HB2      LYS  39  55.757   5.930   1.268
  286   2HB   LYS  39           HB1      LYS  39  55.012   5.560  -0.288
  287   1HG   LYS  39           HG2      LYS  39  53.008   5.762   0.723
  288   2HG   LYS  39           HG1      LYS  39  53.386   4.283   1.607
  289   1HD   LYS  39           HD2      LYS  39  54.564   5.686   3.325
  290   2HD   LYS  39           HD1      LYS  39  53.984   7.122   2.480
  291   1HE   LYS  39           HE2      LYS  39  51.761   5.338   2.885
  292   2HE   LYS  39           HE1      LYS  39  52.584   5.605   4.434
  293   1HZ   LYS  39           HZ1      LYS  39  51.814   7.741   2.514
  294   2HZ   LYS  39           HZ3      LYS  39  50.983   7.378   3.946
  295   3HZ   LYS  39           HZ2      LYS  39  52.573   7.973   4.017
  296    H    GLU  40           HN       GLU  40  57.814   4.461  -0.394
  297    HA   GLU  40           HA       GLU  40  57.074   3.010  -2.904
  298   1HB   GLU  40           HB2      GLU  40  58.522   5.482  -2.156
  299   2HB   GLU  40           HB1      GLU  40  59.253   4.566  -3.474
  300   1HG   GLU  40           HG2      GLU  40  57.668   5.279  -4.901
  301   2HG   GLU  40           HG1      GLU  40  56.399   4.656  -3.847
  302    H    LEU  41           HN       LEU  41  57.992   1.386  -0.798
  303    HA   LEU  41           HA       LEU  41  60.810   0.770  -1.628
  304   1HB   LEU  41           HB2      LEU  41  60.548   1.593   0.683
  305   2HB   LEU  41           HB1      LEU  41  59.361   0.330   1.003
  306    HG   LEU  41           HG       LEU  41  61.805  -0.093   1.753
  307   1HD1  LEU  41          HD13      LEU  41  59.754  -1.789   0.709
  308   2HD1  LEU  41          HD12      LEU  41  61.315  -2.452   0.226
  309   3HD1  LEU  41          HD11      LEU  41  60.967  -2.168   1.931
  310   1HD2  LEU  41          HD23      LEU  41  62.758   0.660  -0.461
  311   2HD2  LEU  41          HD22      LEU  41  63.312  -0.933   0.054
  312   3HD2  LEU  41          HD21      LEU  41  62.067  -0.791  -1.188
  313    H    GLY  42           HN       GLY  42  57.587  -0.509  -0.974
  314   1HA   GLY  42           HA2      GLY  42  58.381  -3.298  -1.269
  315   2HA   GLY  42           HA1      GLY  42  56.722  -2.694  -1.231
  316    H    LYS  43           HN       LYS  43  56.261  -1.234  -3.304
  317    HA   LYS  43           HA       LYS  43  56.246  -2.901  -5.589
  318   1HB   LYS  43           HB2      LYS  43  55.711  -0.705  -6.743
  319   2HB   LYS  43           HB1      LYS  43  54.742  -1.024  -5.304
  320   1HG   LYS  43           HG2      LYS  43  55.709   0.669  -4.114
  321   2HG   LYS  43           HG1      LYS  43  57.296   0.405  -4.834
  322   1HD   LYS  43           HD2      LYS  43  56.928   1.918  -6.484
  323   2HD   LYS  43           HD1      LYS  43  55.275   1.362  -6.744
  324   1HE   LYS  43           HE2      LYS  43  55.547   2.679  -4.155
  325   2HE   LYS  43           HE1      LYS  43  56.007   3.751  -5.493
  326   1HZ   LYS  43           HZ3      LYS  43  53.671   2.042  -5.878
  327   2HZ   LYS  43           HZ2      LYS  43  53.488   3.365  -4.829
  328   3HZ   LYS  43           HZ1      LYS  43  53.964   3.615  -6.442
  329    H    VAL  44           HN       VAL  44  58.786  -0.959  -4.277
  330    HA   VAL  44           HA       VAL  44  60.284  -0.659  -6.783
  331    HB   VAL  44           HB       VAL  44  60.801  -0.165  -3.841
  332   1HG1  VAL  44          HG12      VAL  44  62.650  -0.013  -6.199
  333   2HG1  VAL  44          HG11      VAL  44  62.810   1.173  -4.904
  334   3HG1  VAL  44          HG13      VAL  44  62.986  -0.546  -4.552
  335   1HG2  VAL  44          HG23      VAL  44  60.307   1.596  -6.259
  336   2HG2  VAL  44          HG22      VAL  44  59.274   1.413  -4.841
  337   3HG2  VAL  44          HG21      VAL  44  60.835   2.221  -4.696
  338    H    MET  45           HN       MET  45  60.994  -2.349  -3.700
  339    HA   MET  45           HA       MET  45  63.196  -3.869  -4.537
  340   1HB   MET  45           HB2      MET  45  60.935  -4.302  -2.582
  341   2HB   MET  45           HB1      MET  45  62.223  -5.498  -2.749
  342   1HG   MET  45           HG2      MET  45  63.300  -2.801  -2.579
  343   2HG   MET  45           HG1      MET  45  62.303  -3.185  -1.176
  344   1HE   MET  45           HE3      MET  45  65.373  -2.877  -2.476
  345   2HE   MET  45           HE2      MET  45  65.598  -2.765  -0.732
  346   3HE   MET  45           HE1      MET  45  66.492  -3.972  -1.654
  347    H    ARG  46           HN       ARG  46  59.818  -4.271  -5.345
  348    HA   ARG  46           HA       ARG  46  60.001  -7.040  -6.208
  349   1HB   ARG  46           HB2      ARG  46  58.066  -4.902  -5.957
  350   2HB   ARG  46           HB1      ARG  46  57.885  -5.703  -7.519
  351   1HG   ARG  46           HG2      ARG  46  57.582  -7.839  -6.500
  352   2HG   ARG  46           HG1      ARG  46  58.128  -7.246  -4.931
  353   1HD   ARG  46           HD2      ARG  46  55.839  -7.142  -4.576
  354   2HD   ARG  46           HD1      ARG  46  56.064  -5.550  -5.326
  355    HE   ARG  46           HE       ARG  46  55.764  -7.469  -7.407
  356   1HH1  ARG  46          HH21      ARG  46  54.182  -4.907  -7.105
  357   2HH1  ARG  46          HH22      ARG  46  52.573  -5.515  -6.898
  358   1HH2  ARG  46          HH11      ARG  46  53.604  -8.745  -6.166
  359   2HH2  ARG  46          HH12      ARG  46  52.245  -7.690  -6.367
  360    H    MET  47           HN       MET  47  60.015  -3.892  -7.918
  361    HA   MET  47           HA       MET  47  60.541  -5.195 -10.502
  362   1HB   MET  47           HB2      MET  47  60.258  -3.002 -11.362
  363   2HB   MET  47           HB1      MET  47  59.179  -3.054  -9.969
  364   1HG   MET  47           HG2      MET  47  60.285  -1.067  -9.537
  365   2HG   MET  47           HG1      MET  47  61.352  -2.193  -8.697
  366   1HE   MET  47           HE2      MET  47  62.529  -0.171  -8.707
  367   2HE   MET  47           HE1      MET  47  64.096  -0.417  -9.473
  368   3HE   MET  47           HE3      MET  47  62.979   0.801 -10.107
  369    H    LEU  48           HN       LEU  48  62.359  -3.579  -7.960
  370    HA   LEU  48           HA       LEU  48  64.777  -3.056  -9.396
  371   1HB   LEU  48           HB2      LEU  48  63.711  -2.862  -6.778
  372   2HB   LEU  48           HB1      LEU  48  65.209  -3.782  -6.635
  373    HG   LEU  48           HG       LEU  48  64.848  -1.042  -7.872
  374   1HD1  LEU  48          HD13      LEU  48  65.757  -2.086  -5.307
  375   2HD1  LEU  48          HD12      LEU  48  66.990  -1.092  -6.081
  376   3HD1  LEU  48          HD11      LEU  48  65.388  -0.424  -5.770
  377   1HD2  LEU  48          HD21      LEU  48  66.909  -3.133  -8.279
  378   2HD2  LEU  48          HD23      LEU  48  66.464  -1.776  -9.314
  379   3HD2  LEU  48          HD22      LEU  48  67.530  -1.521  -7.932
  380    H    GLY  49           HN       GLY  49  63.509  -5.988  -7.876
  381   1HA   GLY  49           HA2      GLY  49  64.465  -8.061  -9.081
  382   2HA   GLY  49           HA1      GLY  49  66.035  -7.402  -8.622
  383    H    GLN  50           HN       GLN  50  63.891  -6.655  -6.180
  384    HA   GLN  50           HA       GLN  50  64.834  -9.001  -4.579
  385   1HB   GLN  50           HB2      GLN  50  63.802  -6.261  -3.773
  386   2HB   GLN  50           HB1      GLN  50  64.468  -7.469  -2.675
  387   1HG   GLN  50           HG2      GLN  50  66.367  -7.177  -4.745
  388   2HG   GLN  50           HG1      GLN  50  65.872  -5.541  -4.306
  389   1HE2  GLN  50          HE22      GLN  50  68.576  -6.345  -1.939
  390   2HE2  GLN  50          HE21      GLN  50  68.416  -5.988  -3.590
  391    H    ASN  51           HN       ASN  51  63.156  -9.476  -2.700
  392    HA   ASN  51           HA       ASN  51  60.341  -9.229  -3.650
  393   1HB   ASN  51           HB2      ASN  51  61.796 -11.368  -4.362
  394   2HB   ASN  51           HB1      ASN  51  61.306 -11.910  -2.757
  395   1HD2  ASN  51          HD22      ASN  51  58.276 -13.020  -4.180
  396   2HD2  ASN  51          HD21      ASN  51  59.663 -13.415  -3.284
  397    HA   PRO  52           HA       PRO  52  61.084  -9.043   0.984
  398   1HB   PRO  52           HB2      PRO  52  60.318  -6.443   1.353
  399   2HB   PRO  52           HB1      PRO  52  61.991  -6.916   0.995
  400   1HG   PRO  52           HG2      PRO  52  59.912  -5.798  -0.815
  401   2HG   PRO  52           HG1      PRO  52  61.654  -5.488  -0.768
  402   1HD   PRO  52           HD2      PRO  52  60.448  -7.142  -2.583
  403   2HD   PRO  52           HD1      PRO  52  62.142  -7.302  -2.067
  404    H    THR  53           HN       THR  53  59.299  -8.547   2.625
  405    HA   THR  53           HA       THR  53  56.648  -9.146   1.399
  406    HB   THR  53           HB       THR  53  56.409  -9.399   4.127
  407    HG1  THR  53           HG1      THR  53  58.579 -10.656   4.339
  408   1HG2  THR  53          HG23      THR  53  57.488 -11.411   2.135
  409   2HG2  THR  53          HG22      THR  53  56.819 -11.817   3.716
  410   3HG2  THR  53          HG21      THR  53  55.788 -11.093   2.482
  411    HA   PRO  54           HA       PRO  54  54.896  -5.290   2.529
  412   1HB   PRO  54           HB2      PRO  54  52.478  -5.983   3.611
  413   2HB   PRO  54           HB1      PRO  54  52.836  -6.106   1.876
  414   1HG   PRO  54           HG2      PRO  54  52.794  -8.233   3.955
  415   2HG   PRO  54           HG1      PRO  54  52.263  -8.292   2.268
  416   1HD   PRO  54           HD2      PRO  54  54.633  -9.326   3.148
  417   2HD   PRO  54           HD1      PRO  54  54.362  -8.753   1.488
  418    H    GLU  55           HN       GLU  55  54.558  -7.706   5.151
  419    HA   GLU  55           HA       GLU  55  54.321  -5.726   7.259
  420   1HB   GLU  55           HB2      GLU  55  54.755  -8.685   7.001
  421   2HB   GLU  55           HB1      GLU  55  54.994  -7.924   8.575
  422   1HG   GLU  55           HG2      GLU  55  52.650  -6.784   7.917
  423   2HG   GLU  55           HG1      GLU  55  52.488  -8.286   7.007
  424    H    GLU  56           HN       GLU  56  57.003  -7.239   5.600
  425    HA   GLU  56           HA       GLU  56  58.981  -6.547   7.663
  426   1HB   GLU  56           HB2      GLU  56  58.840  -7.914   5.020
  427   2HB   GLU  56           HB1      GLU  56  60.403  -7.233   5.474
  428   1HG   GLU  56           HG2      GLU  56  60.550  -9.354   6.427
  429   2HG   GLU  56           HG1      GLU  56  59.916  -8.416   7.779
  430    H    LEU  57           HN       LEU  57  57.701  -5.160   4.702
  431    HA   LEU  57           HA       LEU  57  59.594  -3.406   3.765
  432   1HB   LEU  57           HB2      LEU  57  56.798  -3.680   3.745
  433   2HB   LEU  57           HB1      LEU  57  57.088  -2.015   4.250
  434    HG   LEU  57           HG       LEU  57  58.917  -2.598   2.149
  435   1HD1  LEU  57          HD12      LEU  57  56.485  -4.092   1.906
  436   2HD1  LEU  57          HD11      LEU  57  56.478  -2.814   0.690
  437   3HD1  LEU  57          HD13      LEU  57  57.811  -3.967   0.750
  438   1HD2  LEU  57          HD23      LEU  57  57.904  -0.397   2.787
  439   2HD2  LEU  57          HD22      LEU  57  57.767  -0.740   1.062
  440   3HD2  LEU  57          HD21      LEU  57  56.369  -0.949   2.116
  441    H    GLN  58           HN       GLN  58  57.374  -2.504   6.436
  442    HA   GLN  58           HA       GLN  58  59.022  -0.204   7.173
  443   1HB   GLN  58           HB2      GLN  58  56.547  -0.298   7.339
  444   2HB   GLN  58           HB1      GLN  58  56.686  -1.585   8.537
  445   1HG   GLN  58           HG2      GLN  58  56.364   0.741   9.499
  446   2HG   GLN  58           HG1      GLN  58  57.777  -0.125  10.101
  447   1HE2  GLN  58          HE22      GLN  58  59.851   2.546   9.150
  448   2HE2  GLN  58          HE21      GLN  58  59.450   1.372  10.308
  449    H    GLU  59           HN       GLU  59  58.950  -3.562   8.015
  450    HA   GLU  59           HA       GLU  59  60.115  -3.275  10.679
  451   1HB   GLU  59           HB2      GLU  59  58.746  -5.193   9.352
  452   2HB   GLU  59           HB1      GLU  59  60.390  -5.777   9.090
  453   1HG   GLU  59           HG2      GLU  59  60.771  -6.137  11.349
  454   2HG   GLU  59           HG1      GLU  59  59.607  -4.909  11.848
  455    H    MET  60           HN       MET  60  61.339  -3.794   7.394
  456    HA   MET  60           HA       MET  60  64.073  -4.364   8.238
  457   1HB   MET  60           HB2      MET  60  62.461  -4.484   5.913
  458   2HB   MET  60           HB1      MET  60  63.792  -3.392   5.531
  459   1HG   MET  60           HG2      MET  60  65.351  -5.159   6.508
  460   2HG   MET  60           HG1      MET  60  63.966  -6.250   6.509
  461   1HE   MET  60           HE2      MET  60  66.821  -5.438   5.309
  462   2HE   MET  60           HE1      MET  60  66.875  -6.649   4.031
  463   3HE   MET  60           HE3      MET  60  66.837  -4.929   3.622
  464    H    ILE  61           HN       ILE  61  62.395  -1.518   6.865
  465    HA   ILE  61           HA       ILE  61  64.672   0.209   6.743
  466    HB   ILE  61           HB       ILE  61  61.690   0.652   7.036
  467   1HG1  ILE  61          HG12      ILE  61  63.423   1.150   4.616
  468   2HG1  ILE  61          HG11      ILE  61  62.793  -0.462   4.960
  469   1HG2  ILE  61          HG23      ILE  61  63.159   2.590   7.839
  470   2HG2  ILE  61          HG22      ILE  61  63.723   2.718   6.173
  471   3HG2  ILE  61          HG21      ILE  61  62.017   2.964   6.548
  472   1HD1  ILE  61          HD11      ILE  61  60.506   0.840   5.244
  473   2HD1  ILE  61          HD13      ILE  61  61.308   2.035   4.224
  474   3HD1  ILE  61          HD12      ILE  61  61.082   0.387   3.640
  475    H    ASP  62           HN       ASP  62  62.079   0.026   9.217
  476    HA   ASP  62           HA       ASP  62  63.106   1.928  11.029
  477   1HB   ASP  62           HB2      ASP  62  60.933   0.371  10.874
  478   2HB   ASP  62           HB1      ASP  62  61.848  -0.588  12.038
  479    H    GLU  63           HN       GLU  63  64.299  -1.249  10.276
  480    HA   GLU  63           HA       GLU  63  65.831  -1.486  12.793
  481   1HB   GLU  63           HB2      GLU  63  64.918  -3.155  10.590
  482   2HB   GLU  63           HB1      GLU  63  66.618  -3.452  10.957
  483   1HG   GLU  63           HG2      GLU  63  65.533  -3.302  13.472
  484   2HG   GLU  63           HG1      GLU  63  64.220  -4.051  12.562
  485    H    VAL  64           HN       VAL  64  66.355  -0.565   9.426
  486    HA   VAL  64           HA       VAL  64  69.297  -0.513   9.816
  487    HB   VAL  64           HB       VAL  64  67.907  -1.340   7.754
  488   1HG1  VAL  64          HG12      VAL  64  67.958   1.662   7.323
  489   2HG1  VAL  64          HG11      VAL  64  67.587   0.479   6.067
  490   3HG1  VAL  64          HG13      VAL  64  66.524   0.643   7.464
  491   1HG2  VAL  64          HG21      VAL  64  70.360   0.417   7.686
  492   2HG2  VAL  64          HG23      VAL  64  70.266  -1.341   7.577
  493   3HG2  VAL  64          HG22      VAL  64  69.741  -0.343   6.221
  494    H    ASP  65           HN       ASP  65  66.586   1.720   9.197
  495    HA   ASP  65           HA       ASP  65  67.841   4.149   8.782
  496   1HB   ASP  65           HB2      ASP  65  65.343   3.155   9.732
  497   2HB   ASP  65           HB1      ASP  65  65.818   4.479  10.797
  498    H    GLU  66           HN       GLU  66  69.700   4.805   9.833
  499    HA   GLU  66           HA       GLU  66  70.447   4.087  12.500
  500   1HB   GLU  66           HB2      GLU  66  71.425   5.572  10.261
  501   2HB   GLU  66           HB1      GLU  66  71.603   6.582  11.697
  502   1HG   GLU  66           HG2      GLU  66  73.458   5.388  12.170
  503   2HG   GLU  66           HG1      GLU  66  72.386   4.040  12.549
  504    H    ASP  67           HN       ASP  67  68.802   6.970  11.194
  505    HA   ASP  67           HA       ASP  67  68.558   8.118  13.920
  506   1HB   ASP  67           HB2      ASP  67  67.610  10.030  12.615
  507   2HB   ASP  67           HB1      ASP  67  69.201   9.542  12.034
  508    H    GLY  68           HN       GLY  68  66.908   5.831  12.197
  509   1HA   GLY  68           HA2      GLY  68  64.671   5.089  12.160
  510   2HA   GLY  68           HA1      GLY  68  64.679   5.623  13.841
  511    H    SER  69           HN       SER  69  64.857   7.463  10.780
  512    HA   SER  69           HA       SER  69  62.865   9.373  11.827
  513   1HB   SER  69           HB2      SER  69  63.643  10.732  10.062
  514   2HB   SER  69           HB1      SER  69  65.066   9.782  10.480
  515    HG   SER  69           HG       SER  69  64.969   9.367   8.398
  516    H    GLY  70           HN       GLY  70  63.083   6.814   9.400
  517   1HA   GLY  70           HA2      GLY  70  60.891   5.647   8.949
  518   2HA   GLY  70           HA1      GLY  70  60.186   7.257   8.790
  519    H    THR  71           HN       THR  71  62.297   8.471   7.308
  520    HA   THR  71           HA       THR  71  61.725   7.318   4.647
  521    HB   THR  71           HB       THR  71  62.526   9.446   3.871
  522    HG1  THR  71           HG1      THR  71  63.626   9.684   6.472
  523   1HG2  THR  71          HG22      THR  71  61.103   9.706   6.530
  524   2HG2  THR  71          HG21      THR  71  61.319  11.045   5.403
  525   3HG2  THR  71          HG23      THR  71  60.368   9.639   4.927
  526    H    VAL  72           HN       VAL  72  63.423   6.704   3.173
  527    HA   VAL  72           HA       VAL  72  65.943   5.856   4.543
  528    HB   VAL  72           HB       VAL  72  64.914   4.961   1.845
  529   1HG1  VAL  72          HG11      VAL  72  67.004   4.180   3.751
  530   2HG1  VAL  72          HG13      VAL  72  66.016   2.826   3.200
  531   3HG1  VAL  72          HG12      VAL  72  66.866   3.833   2.028
  532   1HG2  VAL  72          HG21      VAL  72  64.003   4.125   4.604
  533   2HG2  VAL  72          HG23      VAL  72  63.014   4.552   3.207
  534   3HG2  VAL  72          HG22      VAL  72  63.897   3.025   3.229
  535    H    ASP  73           HN       ASP  73  67.975   6.216   3.418
  536    HA   ASP  73           HA       ASP  73  67.875   8.220   1.195
  537   1HB   ASP  73           HB2      ASP  73  69.591   9.513   2.379
  538   2HB   ASP  73           HB1      ASP  73  68.188   9.298   3.426
  539    H    PHE  74           HN       PHE  74  70.109   8.391   0.143
  540    HA   PHE  74           HA       PHE  74  71.047   6.025  -0.929
  541   1HB   PHE  74           HB2      PHE  74  71.656   8.575  -1.248
  542   2HB   PHE  74           HB1      PHE  74  72.996   8.181  -0.170
  543    HD1  PHE  74           HD1      PHE  74  74.512   6.213  -0.783
  544    HD2  PHE  74           HD2      PHE  74  71.715   7.965  -3.533
  545    HE1  PHE  74           HE1      PHE  74  75.735   5.187  -2.681
  546    HE2  PHE  74           HE2      PHE  74  72.938   6.939  -5.430
  547    HZ   PHE  74           HZ       PHE  74  74.948   5.551  -5.005
  548    H    ASP  75           HN       ASP  75  71.876   7.383   2.232
  549    HA   ASP  75           HA       ASP  75  74.055   5.531   2.771
  550   1HB   ASP  75           HB2      ASP  75  72.908   7.861   3.862
  551   2HB   ASP  75           HB1      ASP  75  72.711   6.622   5.103
  552    H    GLU  76           HN       GLU  76  70.744   5.793   4.139
  553    HA   GLU  76           HA       GLU  76  70.873   3.165   5.372
  554   1HB   GLU  76           HB2      GLU  76  68.526   4.983   4.736
  555   2HB   GLU  76           HB1      GLU  76  68.541   3.685   5.933
  556   1HG   GLU  76           HG2      GLU  76  70.074   4.839   7.329
  557   2HG   GLU  76           HG1      GLU  76  70.515   5.967   6.047
  558    H    PHE  77           HN       PHE  77  69.448   4.478   2.389
  559    HA   PHE  77           HA       PHE  77  67.861   2.333   1.532
  560   1HB   PHE  77           HB2      PHE  77  68.122   4.536   0.425
  561   2HB   PHE  77           HB1      PHE  77  69.751   4.084  -0.076
  562    HD1  PHE  77           HD2      PHE  77  66.242   2.757  -0.211
  563    HD2  PHE  77           HD1      PHE  77  70.037   3.140  -2.188
  564    HE1  PHE  77           HE2      PHE  77  65.315   1.622  -2.212
  565    HE2  PHE  77           HE1      PHE  77  69.110   2.006  -4.189
  566    HZ   PHE  77           HZ       PHE  77  66.749   1.247  -4.201
  567    H    LEU  78           HN       LEU  78  71.377   2.780   1.012
  568    HA   LEU  78           HA       LEU  78  71.734   0.254  -0.354
  569   1HB   LEU  78           HB2      LEU  78  73.425   2.402   0.878
  570   2HB   LEU  78           HB1      LEU  78  74.194   0.879   0.431
  571    HG   LEU  78           HG       LEU  78  72.382   2.252  -1.533
  572   1HD1  LEU  78          HD12      LEU  78  75.235   2.984  -0.852
  573   2HD1  LEU  78          HD11      LEU  78  74.537   3.314  -2.436
  574   3HD1  LEU  78          HD13      LEU  78  73.842   4.056  -0.994
  575   1HD2  LEU  78          HD21      LEU  78  74.785   0.410  -1.668
  576   2HD2  LEU  78          HD23      LEU  78  73.122   0.042  -2.129
  577   3HD2  LEU  78          HD22      LEU  78  74.075   1.171  -3.093
  578    H    VAL  79           HN       VAL  79  72.320   1.333   3.008
  579    HA   VAL  79           HA       VAL  79  73.446  -1.035   4.057
  580    HB   VAL  79           HB       VAL  79  71.474   0.896   5.328
  581   1HG1  VAL  79          HG13      VAL  79  71.941  -1.194   6.623
  582   2HG1  VAL  79          HG12      VAL  79  73.659  -0.796   6.579
  583   3HG1  VAL  79          HG11      VAL  79  72.531   0.259   7.431
  584   1HG2  VAL  79          HG21      VAL  79  73.797   1.597   4.120
  585   2HG2  VAL  79          HG23      VAL  79  73.181   2.412   5.557
  586   3HG2  VAL  79          HG22      VAL  79  74.410   1.156   5.713
  587    H    MET  80           HN       MET  80  70.092  -0.258   3.278
  588    HA   MET  80           HA       MET  80  68.920  -2.545   4.635
  589   1HB   MET  80           HB2      MET  80  68.134  -0.209   3.212
  590   2HB   MET  80           HB1      MET  80  67.394  -1.580   2.388
  591   1HG   MET  80           HG2      MET  80  67.197  -1.915   5.254
  592   2HG   MET  80           HG1      MET  80  66.516  -0.361   4.772
  593   1HE   MET  80           HE1      MET  80  65.203   0.078   3.037
  594   2HE   MET  80           HE3      MET  80  64.912  -1.067   1.721
  595   3HE   MET  80           HE2      MET  80  63.642  -0.727   2.895
  596    H    MET  81           HN       MET  81  70.259  -1.922   1.432
  597    HA   MET  81           HA       MET  81  69.274  -4.387   0.227
  598   1HB   MET  81           HB2      MET  81  71.244  -2.205  -0.444
  599   2HB   MET  81           HB1      MET  81  71.109  -3.633  -1.471
  600   1HG   MET  81           HG2      MET  81  68.486  -2.586  -0.796
  601   2HG   MET  81           HG1      MET  81  69.483  -1.351  -1.566
  602   1HE   MET  81           HE1      MET  81  67.394  -1.524  -3.251
  603   2HE   MET  81           HE3      MET  81  68.944  -0.977  -3.905
  604   3HE   MET  81           HE2      MET  81  67.942  -2.098  -4.824
  605    H    VAL  82           HN       VAL  82  72.562  -3.280   1.163
  606    HA   VAL  82           HA       VAL  82  73.990  -5.643   0.744
  607    HB   VAL  82           HB       VAL  82  75.146  -3.671   1.379
  608   1HG1  VAL  82          HG12      VAL  82  72.968  -3.493   3.351
  609   2HG1  VAL  82          HG11      VAL  82  74.542  -3.001   3.977
  610   3HG1  VAL  82          HG13      VAL  82  73.870  -2.205   2.554
  611   1HG2  VAL  82          HG23      VAL  82  75.115  -5.571   3.742
  612   2HG2  VAL  82          HG22      VAL  82  76.215  -5.617   2.363
  613   3HG2  VAL  82          HG21      VAL  82  76.307  -4.289   3.522
  614    H    ARG  83           HN       ARG  83  71.589  -4.978   3.184
  615    HA   ARG  83           HA       ARG  83  72.360  -7.174   4.960
  616   1HB   ARG  83           HB2      ARG  83  70.101  -5.203   4.682
  617   2HB   ARG  83           HB1      ARG  83  69.958  -6.546   5.818
  618   1HG   ARG  83           HG2      ARG  83  72.142  -5.854   6.830
  619   2HG   ARG  83           HG1      ARG  83  72.141  -4.443   5.772
  620   1HD   ARG  83           HD2      ARG  83  70.486  -3.382   6.970
  621   2HD   ARG  83           HD1      ARG  83  69.667  -4.904   7.376
  622    HE   ARG  83           HE       ARG  83  72.214  -4.009   8.677
  623   1HH1  ARG  83          HH21      ARG  83  72.153  -6.624   9.472
  624   2HH1  ARG  83          HH22      ARG  83  70.971  -6.754  10.731
  625   1HH2  ARG  83          HH11      ARG  83  69.411  -3.760   9.939
  626   2HH2  ARG  83          HH12      ARG  83  69.416  -5.133  10.995
  627    H    CYS  84           HN       CYS  84  69.607  -6.587   2.733
  628    HA   CYS  84           HA       CYS  84  68.556  -9.271   2.955
  629   1HB   CYS  84           HB2      CYS  84  67.337  -7.173   2.280
  630   2HB   CYS  84           HB1      CYS  84  68.223  -7.206   0.755
  631    HG   CYS  84           HG       CYS  84  66.628  -9.767   1.431
  632    H    MET  85           HN       MET  85  71.183  -7.896   1.188
  633    HA   MET  85           HA       MET  85  71.572 -10.487  -0.239
  634   1HB   MET  85           HB2      MET  85  71.887  -9.318  -2.343
  635   2HB   MET  85           HB1      MET  85  70.344  -8.798  -1.665
  636   1HG   MET  85           HG2      MET  85  71.058  -6.667  -1.722
  637   2HG   MET  85           HG1      MET  85  72.344  -7.088  -0.589
  638   1HE   MET  85           HE3      MET  85  73.148  -5.000  -1.708
  639   2HE   MET  85           HE2      MET  85  74.658  -5.878  -1.480
  640   3HE   MET  85           HE1      MET  85  74.350  -5.050  -3.005
  641    H    LYS  86           HN       LYS  86  72.973  -9.602   2.048
  642    HA   LYS  86           HA       LYS  86  75.319  -8.079   1.635
  643   1HB   LYS  86           HB2      LYS  86  74.352  -8.980   3.782
  644   2HB   LYS  86           HB1      LYS  86  74.977 -10.568   3.337
  645   1HG   LYS  86           HG2      LYS  86  77.231  -9.841   3.467
  646   2HG   LYS  86           HG1      LYS  86  76.768  -8.140   3.451
  647   1HD   LYS  86           HD2      LYS  86  75.497  -8.694   5.652
  648   2HD   LYS  86           HD1      LYS  86  76.513 -10.135   5.694
  649   1HE   LYS  86           HE2      LYS  86  78.454  -8.924   6.066
  650   2HE   LYS  86           HE1      LYS  86  77.847  -7.495   5.204
  651   1HZ   LYS  86           HZ2      LYS  86  76.080  -7.469   7.053
  652   2HZ   LYS  86           HZ1      LYS  86  77.176  -8.436   7.921
  653   3HZ   LYS  86           HZ3      LYS  86  77.632  -6.882   7.417
  654    H    ASP  87           HN       ASP  87  74.549 -11.361   0.651
  655    HA   ASP  87           HA       ASP  87  75.750 -12.873  -0.715
  656   1HB   ASP  87           HB2      ASP  87  76.657 -10.143  -1.310
  657   2HB   ASP  87           HB1      ASP  87  77.862 -11.370  -1.703
  658    H    ASP  88           HN       ASP  88  78.472 -10.800   0.281
  659    HA   ASP  88           HA       ASP  88  80.390 -11.308   1.567
  660   1HB   ASP  88           HB2      ASP  88  78.238 -11.947   3.024
  661   2HB   ASP  88           HB1      ASP  88  78.902 -13.570   2.834
  662    H    SER  89           HN       SER  89  81.593 -12.152  -0.248
  663    HA   SER  89           HA       SER  89  82.131 -15.048  -0.071
  664   1HB   SER  89           HB2      SER  89  80.404 -13.807  -2.058
  665   2HB   SER  89           HB1      SER  89  81.770 -14.616  -2.820
  666    HG   SER  89           HG       SER  89  79.663 -15.646  -1.325
   
  No H/Q in entry =         666
  Start of MODEL    7
    1   1H    MET   1           HT3      MET   1  79.705   1.627  16.390
    2   2H    MET   1           HT2      MET   1  78.204   1.521  17.176
    3   3H    MET   1           HT1      MET   1  79.644   1.439  18.074
    4    HA   MET   1           HA       MET   1  80.190  -0.687  17.211
    5   1HB   MET   1           HB2      MET   1  77.326  -0.203  18.042
    6   2HB   MET   1           HB1      MET   1  77.945  -1.839  17.810
    7   1HG   MET   1           HG2      MET   1  79.721  -1.425  19.452
    8   2HG   MET   1           HG1      MET   1  79.160   0.234  19.660
    9   1HE   MET   1           HE1      MET   1  79.664  -1.057  21.960
   10   2HE   MET   1           HE3      MET   1  78.365  -1.772  22.924
   11   3HE   MET   1           HE2      MET   1  79.253  -2.759  21.766
   12    H    ASP   2           HN       ASP   2  78.415  -2.560  16.123
   13    HA   ASP   2           HA       ASP   2  77.890  -3.416  13.974
   14   1HB   ASP   2           HB2      ASP   2  76.588  -0.686  14.138
   15   2HB   ASP   2           HB1      ASP   2  76.255  -1.815  12.823
   16    H    ASP   3           HN       ASP   3  80.361  -3.031  13.549
   17    HA   ASP   3           HA       ASP   3  80.877  -0.821  11.627
   18   1HB   ASP   3           HB2      ASP   3  82.372  -2.552  13.482
   19   2HB   ASP   3           HB1      ASP   3  83.192  -2.294  11.942
   20    H    ILE   4           HN       ILE   4  80.726  -4.359  11.788
   21    HA   ILE   4           HA       ILE   4  81.860  -5.154   9.377
   22    HB   ILE   4           HB       ILE   4  79.290  -6.029  10.731
   23   1HG1  ILE   4          HG12      ILE   4  82.153  -7.027  10.878
   24   2HG1  ILE   4          HG11      ILE   4  81.282  -6.173  12.153
   25   1HG2  ILE   4          HG22      ILE   4  80.864  -7.175   8.439
   26   2HG2  ILE   4          HG21      ILE   4  80.006  -8.255   9.539
   27   3HG2  ILE   4          HG23      ILE   4  79.115  -7.036   8.627
   28   1HD1  ILE   4          HD11      ILE   4  79.756  -8.457  11.219
   29   2HD1  ILE   4          HD13      ILE   4  81.364  -8.952  11.750
   30   3HD1  ILE   4          HD12      ILE   4  80.301  -8.076  12.852
   31    H    TYR   5           HN       TYR   5  78.379  -4.348   9.744
   32    HA   TYR   5           HA       TYR   5  77.693  -4.354   7.010
   33   1HB   TYR   5           HB2      TYR   5  76.715  -2.933   9.477
   34   2HB   TYR   5           HB1      TYR   5  75.951  -2.618   7.919
   35    HD1  TYR   5           HD1      TYR   5  76.771  -5.268  10.390
   36    HD2  TYR   5           HD2      TYR   5  74.525  -4.236   6.877
   37    HE1  TYR   5           HE1      TYR   5  75.479  -7.376  10.596
   38    HE2  TYR   5           HE2      TYR   5  73.234  -6.344   7.083
   39    HH   TYR   5           HH       TYR   5  73.319  -8.284   9.890
   40    H    LYS   6           HN       LYS   6  78.502  -1.458   8.978
   41    HA   LYS   6           HA       LYS   6  78.470   0.542   7.083
   42   1HB   LYS   6           HB2      LYS   6  79.759  -0.035   9.591
   43   2HB   LYS   6           HB1      LYS   6  80.887   0.840   8.554
   44   1HG   LYS   6           HG2      LYS   6  78.474   2.163   8.152
   45   2HG   LYS   6           HG1      LYS   6  78.465   1.799   9.878
   46   1HD   LYS   6           HD2      LYS   6  80.366   3.065  10.298
   47   2HD   LYS   6           HD1      LYS   6  80.972   2.888   8.651
   48   1HE   LYS   6           HE2      LYS   6  78.667   4.237   8.148
   49   2HE   LYS   6           HE1      LYS   6  79.072   4.886   9.749
   50   1HZ   LYS   6           HZ1      LYS   6  81.323   5.302   8.977
   51   2HZ   LYS   6           HZ3      LYS   6  80.940   4.690   7.443
   52   3HZ   LYS   6           HZ2      LYS   6  80.206   6.121   7.993
   53    H    ALA   7           HN       ALA   7  81.035  -1.899   7.489
   54    HA   ALA   7           HA       ALA   7  82.754  -0.771   5.428
   55   1HB   ALA   7           HB2      ALA   7  82.655  -3.024   7.310
   56   2HB   ALA   7           HB1      ALA   7  83.446  -3.428   5.787
   57   3HB   ALA   7           HB3      ALA   7  84.042  -2.085   6.761
   58    H    ALA   8           HN       ALA   8  80.191  -3.206   5.520
   59    HA   ALA   8           HA       ALA   8  80.655  -4.498   3.034
   60   1HB   ALA   8           HB1      ALA   8  78.729  -4.406   5.096
   61   2HB   ALA   8           HB3      ALA   8  77.845  -4.081   3.604
   62   3HB   ALA   8           HB2      ALA   8  78.797  -5.558   3.761
   63    H    VAL   9           HN       VAL   9  78.957  -1.459   3.777
   64    HA   VAL   9           HA       VAL   9  77.943  -1.027   1.103
   65    HB   VAL   9           HB       VAL   9  78.499   0.769   3.484
   66   1HG1  VAL   9          HG11      VAL   9  78.344   1.826   1.081
   67   2HG1  VAL   9          HG13      VAL   9  76.626   1.470   1.241
   68   3HG1  VAL   9          HG12      VAL   9  77.417   2.535   2.402
   69   1HG2  VAL   9          HG21      VAL   9  76.527  -1.197   2.939
   70   2HG2  VAL   9          HG23      VAL   9  76.560  -0.055   4.282
   71   3HG2  VAL   9          HG22      VAL   9  75.731   0.370   2.785
   72    H    GLU  10           HN       GLU  10  81.040  -0.547   2.614
   73    HA   GLU  10           HA       GLU  10  81.982   1.452   0.677
   74   1HB   GLU  10           HB2      GLU  10  82.659   0.517   3.235
   75   2HB   GLU  10           HB1      GLU  10  84.005   0.024   2.207
   76   1HG   GLU  10           HG2      GLU  10  83.188   2.706   1.521
   77   2HG   GLU  10           HG1      GLU  10  83.509   2.604   3.253
   78    H    GLN  11           HN       GLN  11  81.700  -1.976   0.761
   79    HA   GLN  11           HA       GLN  11  84.004  -2.574  -0.934
   80   1HB   GLN  11           HB2      GLN  11  81.508  -4.186  -0.317
   81   2HB   GLN  11           HB1      GLN  11  83.055  -4.819  -0.879
   82   1HG   GLN  11           HG2      GLN  11  83.005  -3.168   1.621
   83   2HG   GLN  11           HG1      GLN  11  82.452  -4.841   1.702
   84   1HE2  GLN  11          HE22      GLN  11  86.396  -4.099   1.557
   85   2HE2  GLN  11          HE21      GLN  11  85.239  -2.882   1.802
   86    H    LEU  12           HN       LEU  12  80.806  -1.396  -1.487
   87    HA   LEU  12           HA       LEU  12  80.361  -2.507  -4.121
   88   1HB   LEU  12           HB2      LEU  12  79.333   0.030  -2.804
   89   2HB   LEU  12           HB1      LEU  12  78.593  -0.795  -4.176
   90    HG   LEU  12           HG       LEU  12  79.040  -2.098  -1.477
   91   1HD1  LEU  12          HD12      LEU  12  76.759  -0.497  -2.592
   92   2HD1  LEU  12          HD11      LEU  12  76.414  -1.852  -1.517
   93   3HD1  LEU  12          HD13      LEU  12  77.414  -0.513  -0.955
   94   1HD2  LEU  12          HD21      LEU  12  77.532  -2.858  -3.993
   95   2HD2  LEU  12          HD23      LEU  12  78.866  -3.728  -3.235
   96   3HD2  LEU  12          HD22      LEU  12  77.289  -3.672  -2.446
   97    H    THR  13           HN       THR  13  81.214  -1.826  -6.063
   98    HA   THR  13           HA       THR  13  83.280   0.218  -6.126
   99    HB   THR  13           HB       THR  13  82.542  -0.407  -8.739
  100    HG1  THR  13           HG1      THR  13  81.153  -1.970  -8.394
  101   1HG2  THR  13          HG21      THR  13  84.524  -1.376  -6.744
  102   2HG2  THR  13          HG23      THR  13  84.321  -2.349  -8.200
  103   3HG2  THR  13          HG22      THR  13  84.787  -0.652  -8.331
  104    H    GLU  14           HN       GLU  14  83.179   2.168  -7.470
  105    HA   GLU  14           HA       GLU  14  80.992   3.872  -7.025
  106   1HB   GLU  14           HB2      GLU  14  82.067   5.253  -8.764
  107   2HB   GLU  14           HB1      GLU  14  83.283   4.513  -7.721
  108   1HG   GLU  14           HG2      GLU  14  82.904   2.600  -9.692
  109   2HG   GLU  14           HG1      GLU  14  82.800   4.119 -10.583
  110    H    GLU  15           HN       GLU  15  81.316   1.353  -9.409
  111    HA   GLU  15           HA       GLU  15  79.377   2.385 -11.308
  112   1HB   GLU  15           HB2      GLU  15  79.665   0.229 -12.324
  113   2HB   GLU  15           HB1      GLU  15  81.232   0.660 -11.640
  114   1HG   GLU  15           HG2      GLU  15  80.511  -0.621  -9.546
  115   2HG   GLU  15           HG1      GLU  15  79.182  -1.255 -10.517
  116    H    GLN  16           HN       GLN  16  79.194   0.335  -8.424
  117    HA   GLN  16           HA       GLN  16  76.416  -0.455  -8.878
  118   1HB   GLN  16           HB2      GLN  16  77.886  -0.483  -6.242
  119   2HB   GLN  16           HB1      GLN  16  76.706  -1.642  -6.853
  120   1HG   GLN  16           HG2      GLN  16  78.748  -1.688  -8.754
  121   2HG   GLN  16           HG1      GLN  16  79.597  -1.589  -7.212
  122   1HE2  GLN  16          HE22      GLN  16  78.307  -4.758  -6.045
  123   2HE2  GLN  16          HE21      GLN  16  78.768  -3.223  -5.488
  124    H    LYS  17           HN       LYS  17  77.870   1.431  -6.206
  125    HA   LYS  17           HA       LYS  17  75.535   2.566  -5.169
  126   1HB   LYS  17           HB2      LYS  17  77.165   4.458  -4.529
  127   2HB   LYS  17           HB1      LYS  17  77.607   2.826  -4.030
  128   1HG   LYS  17           HG2      LYS  17  78.627   3.193  -6.660
  129   2HG   LYS  17           HG1      LYS  17  79.063   4.626  -5.729
  130   1HD   LYS  17           HD2      LYS  17  79.504   1.799  -4.737
  131   2HD   LYS  17           HD1      LYS  17  80.739   2.743  -5.571
  132   1HE   LYS  17           HE2      LYS  17  81.278   3.711  -3.598
  133   2HE   LYS  17           HE1      LYS  17  79.647   4.405  -3.522
  134   1HZ   LYS  17           HZ2      LYS  17  78.913   2.118  -2.782
  135   2HZ   LYS  17           HZ1      LYS  17  80.556   1.769  -2.524
  136   3HZ   LYS  17           HZ3      LYS  17  79.807   3.016  -1.651
  137    H    ASN  18           HN       ASN  18  77.274   3.457  -8.096
  138    HA   ASN  18           HA       ASN  18  76.108   6.053  -8.496
  139   1HB   ASN  18           HB2      ASN  18  77.574   3.977 -10.042
  140   2HB   ASN  18           HB1      ASN  18  76.673   5.162 -10.989
  141   1HD2  ASN  18          HD22      ASN  18  79.599   7.161 -10.672
  142   2HD2  ASN  18          HD21      ASN  18  78.671   6.205 -11.725
  143    H    GLU  19           HN       GLU  19  75.164   2.809  -9.679
  144    HA   GLU  19           HA       GLU  19  72.911   3.657 -11.224
  145   1HB   GLU  19           HB2      GLU  19  73.564   1.076  -9.767
  146   2HB   GLU  19           HB1      GLU  19  72.289   1.237 -10.976
  147   1HG   GLU  19           HG2      GLU  19  73.927   1.895 -12.667
  148   2HG   GLU  19           HG1      GLU  19  75.218   1.845 -11.467
  149    H    PHE  20           HN       PHE  20  73.223   2.720  -7.801
  150    HA   PHE  20           HA       PHE  20  70.457   2.646  -7.134
  151   1HB   PHE  20           HB2      PHE  20  73.014   3.273  -5.651
  152   2HB   PHE  20           HB1      PHE  20  71.457   3.257  -4.823
  153    HD1  PHE  20           HD1      PHE  20  69.931   1.119  -5.610
  154    HD2  PHE  20           HD2      PHE  20  74.222   1.289  -5.525
  155    HE1  PHE  20           HE1      PHE  20  70.027  -1.355  -5.471
  156    HE2  PHE  20           HE2      PHE  20  74.317  -1.185  -5.385
  157    HZ   PHE  20           HZ       PHE  20  72.220  -2.507  -5.357
  158    H    LYS  21           HN       LYS  21  72.705   5.353  -7.476
  159    HA   LYS  21           HA       LYS  21  71.125   7.382  -6.220
  160   1HB   LYS  21           HB2      LYS  21  73.593   7.281  -7.106
  161   2HB   LYS  21           HB1      LYS  21  72.882   7.833  -8.624
  162   1HG   LYS  21           HG2      LYS  21  71.692   9.587  -7.002
  163   2HG   LYS  21           HG1      LYS  21  73.113   9.259  -6.008
  164   1HD   LYS  21           HD2      LYS  21  74.464   9.637  -8.194
  165   2HD   LYS  21           HD1      LYS  21  72.992  10.403  -8.794
  166   1HE   LYS  21           HE2      LYS  21  74.008  12.259  -7.836
  167   2HE   LYS  21           HE1      LYS  21  73.159  11.645  -6.403
  168   1HZ   LYS  21           HZ2      LYS  21  75.159  10.221  -6.004
  169   2HZ   LYS  21           HZ1      LYS  21  75.964  11.106  -7.211
  170   3HZ   LYS  21           HZ3      LYS  21  75.430  11.887  -5.803
  171    H    ALA  22           HN       ALA  22  71.318   6.323  -9.634
  172    HA   ALA  22           HA       ALA  22  69.421   8.192 -10.678
  173   1HB   ALA  22           HB1      ALA  22  70.776   5.684 -11.447
  174   2HB   ALA  22           HB3      ALA  22  69.237   5.953 -12.263
  175   3HB   ALA  22           HB2      ALA  22  70.523   7.153 -12.388
  176    H    ALA  23           HN       ALA  23  69.006   4.840  -9.495
  177    HA   ALA  23           HA       ALA  23  66.163   4.736  -9.965
  178   1HB   ALA  23           HB1      ALA  23  68.001   3.236  -8.070
  179   2HB   ALA  23           HB3      ALA  23  66.360   2.739  -8.481
  180   3HB   ALA  23           HB2      ALA  23  67.611   2.766  -9.724
  181    H    PHE  24           HN       PHE  24  68.160   5.687  -7.181
  182    HA   PHE  24           HA       PHE  24  66.248   5.856  -5.141
  183   1HB   PHE  24           HB2      PHE  24  68.650   6.296  -4.887
  184   2HB   PHE  24           HB1      PHE  24  68.506   7.749  -5.877
  185    HD1  PHE  24           HD2      PHE  24  67.041   9.655  -5.064
  186    HD2  PHE  24           HD1      PHE  24  68.132   6.334  -2.568
  187    HE1  PHE  24           HE2      PHE  24  66.433  10.969  -3.050
  188    HE2  PHE  24           HE1      PHE  24  67.524   7.647  -0.555
  189    HZ   PHE  24           HZ       PHE  24  66.674   9.964  -0.796
  190    H    ASP  25           HN       ASP  25  66.899   8.193  -7.759
  191    HA   ASP  25           HA       ASP  25  64.989  10.166  -6.845
  192   1HB   ASP  25           HB2      ASP  25  66.769   9.622  -9.127
  193   2HB   ASP  25           HB1      ASP  25  65.317  10.523  -9.564
  194    H    ILE  26           HN       ILE  26  64.630   7.118  -8.393
  195    HA   ILE  26           HA       ILE  26  62.157   7.758  -9.828
  196    HB   ILE  26           HB       ILE  26  63.579   5.185  -9.096
  197   1HG1  ILE  26          HG12      ILE  26  63.608   7.062 -11.458
  198   2HG1  ILE  26          HG11      ILE  26  64.974   6.377 -10.579
  199   1HG2  ILE  26          HG21      ILE  26  60.968   5.311  -9.721
  200   2HG2  ILE  26          HG23      ILE  26  61.640   5.354 -11.351
  201   3HG2  ILE  26          HG22      ILE  26  62.005   4.000 -10.281
  202   1HD1  ILE  26          HD12      ILE  26  63.057   4.795 -12.314
  203   2HD1  ILE  26          HD11      ILE  26  64.671   5.313 -12.805
  204   3HD1  ILE  26          HD13      ILE  26  64.479   4.156 -11.487
  205    H    PHE  27           HN       PHE  27  63.057   6.311  -6.709
  206    HA   PHE  27           HA       PHE  27  60.307   5.531  -6.060
  207   1HB   PHE  27           HB2      PHE  27  62.659   5.843  -4.188
  208   2HB   PHE  27           HB1      PHE  27  61.322   4.701  -4.070
  209    HD1  PHE  27           HD1      PHE  27  61.065   3.353  -6.514
  210    HD2  PHE  27           HD2      PHE  27  64.677   4.822  -4.713
  211    HE1  PHE  27           HE1      PHE  27  62.382   1.682  -7.791
  212    HE2  PHE  27           HE2      PHE  27  65.993   3.152  -5.990
  213    HZ   PHE  27           HZ       PHE  27  64.845   1.583  -7.528
  214    H    VAL  28           HN       VAL  28  62.500   8.221  -5.335
  215    HA   VAL  28           HA       VAL  28  60.631   9.448  -3.427
  216    HB   VAL  28           HB       VAL  28  62.435  11.063  -3.218
  217   1HG1  VAL  28          HG13      VAL  28  62.660   8.437  -2.602
  218   2HG1  VAL  28          HG12      VAL  28  64.051   8.619  -3.670
  219   3HG1  VAL  28          HG11      VAL  28  63.909   9.623  -2.227
  220   1HG2  VAL  28          HG22      VAL  28  63.403   9.788  -5.784
  221   2HG2  VAL  28          HG21      VAL  28  63.024  11.486  -5.496
  222   3HG2  VAL  28          HG23      VAL  28  64.455  10.764  -4.759
  223    H    LEU  29           HN       LEU  29  59.884   9.079  -6.369
  224    HA   LEU  29           HA       LEU  29  59.953  11.333  -7.962
  225   1HB   LEU  29           HB2      LEU  29  58.241   9.054  -7.506
  226   2HB   LEU  29           HB1      LEU  29  57.256  10.459  -7.912
  227    HG   LEU  29           HG       LEU  29  57.946   9.228  -9.944
  228   1HD1  LEU  29          HD13      LEU  29  58.611  12.031  -9.363
  229   2HD1  LEU  29          HD12      LEU  29  59.492  11.370 -10.742
  230   3HD1  LEU  29          HD11      LEU  29  57.728  11.344 -10.727
  231   1HD2  LEU  29          HD21      LEU  29  60.390   9.016  -8.552
  232   2HD2  LEU  29          HD23      LEU  29  60.042   8.435 -10.180
  233   3HD2  LEU  29          HD22      LEU  29  60.723  10.044  -9.946
  234    H    GLY  30           HN       GLY  30  60.060  13.297  -6.725
  235   1HA   GLY  30           HA2      GLY  30  59.173  15.174  -5.634
  236   2HA   GLY  30           HA1      GLY  30  57.604  14.632  -6.229
  237    H    ALA  31           HN       ALA  31  59.909  13.217  -3.881
  238    HA   ALA  31           HA       ALA  31  57.733  12.405  -2.115
  239   1HB   ALA  31           HB3      ALA  31  60.389  11.724  -2.611
  240   2HB   ALA  31           HB2      ALA  31  60.443  12.462  -1.010
  241   3HB   ALA  31           HB1      ALA  31  59.390  11.080  -1.307
  242    H    GLU  32           HN       GLU  32  58.668  12.995   0.419
  243    HA   GLU  32           HA       GLU  32  57.881  15.789   0.730
  244   1HB   GLU  32           HB2      GLU  32  58.930  13.702   2.671
  245   2HB   GLU  32           HB1      GLU  32  58.160  15.220   3.131
  246   1HG   GLU  32           HG2      GLU  32  56.081  14.552   2.068
  247   2HG   GLU  32           HG1      GLU  32  56.837  13.094   1.422
  248    H    ASP  33           HN       ASP  33  60.900  13.928   1.141
  249    HA   ASP  33           HA       ASP  33  62.397  16.523   1.088
  250   1HB   ASP  33           HB2      ASP  33  63.805  15.640   2.902
  251   2HB   ASP  33           HB1      ASP  33  62.113  15.644   3.401
  252    H    GLY  34           HN       GLY  34  61.849  14.203  -0.866
  253   1HA   GLY  34           HA2      GLY  34  63.109  13.220  -2.593
  254   2HA   GLY  34           HA1      GLY  34  64.518  14.089  -1.980
  255    H    CYS  35           HN       CYS  35  62.478  11.803  -0.193
  256    HA   CYS  35           HA       CYS  35  64.880  10.022   0.073
  257   1HB   CYS  35           HB2      CYS  35  63.173  11.390   1.974
  258   2HB   CYS  35           HB1      CYS  35  63.108   9.648   2.241
  259    HG   CYS  35           HG       CYS  35  65.672  11.395   2.466
  260    H    ILE  36           HN       ILE  36  64.315   7.710   0.411
  261    HA   ILE  36           HA       ILE  36  61.936   6.944  -1.201
  262    HB   ILE  36           HB       ILE  36  63.921   4.982  -0.099
  263   1HG1  ILE  36          HG12      ILE  36  64.535   7.054  -2.233
  264   2HG1  ILE  36          HG11      ILE  36  65.427   6.765  -0.740
  265   1HG2  ILE  36          HG22      ILE  36  61.946   5.124  -2.178
  266   2HG2  ILE  36          HG21      ILE  36  63.519   4.816  -2.913
  267   3HG2  ILE  36          HG23      ILE  36  62.901   3.732  -1.665
  268   1HD1  ILE  36          HD12      ILE  36  65.290   4.278  -2.095
  269   2HD1  ILE  36          HD11      ILE  36  65.754   5.484  -3.295
  270   3HD1  ILE  36          HD13      ILE  36  66.716   5.282  -1.831
  271    H    SER  37           HN       SER  37  60.225   7.189   0.327
  272    HA   SER  37           HA       SER  37  60.336   6.252   3.047
  273   1HB   SER  37           HB2      SER  37  58.613   7.666   1.320
  274   2HB   SER  37           HB1      SER  37  57.684   6.277   1.877
  275    HG   SER  37           HG       SER  37  57.666   7.084   3.825
  276    H    THR  38           HN       THR  38  58.766   4.493   3.831
  277    HA   THR  38           HA       THR  38  59.396   1.980   2.504
  278    HB   THR  38           HB       THR  38  59.227   2.361   4.970
  279    HG1  THR  38           HG1      THR  38  58.759   0.334   5.049
  280   1HG2  THR  38          HG23      THR  38  56.374   2.898   4.185
  281   2HG2  THR  38          HG22      THR  38  56.769   2.324   5.804
  282   3HG2  THR  38          HG21      THR  38  57.430   3.853   5.224
  283    H    LYS  39           HN       LYS  39  56.890   4.295   2.170
  284    HA   LYS  39           HA       LYS  39  54.662   2.611   1.519
  285   1HB   LYS  39           HB2      LYS  39  55.544   5.434   1.051
  286   2HB   LYS  39           HB1      LYS  39  54.158   4.837   0.137
  287   1HG   LYS  39           HG2      LYS  39  53.638   3.925   2.696
  288   2HG   LYS  39           HG1      LYS  39  54.361   5.509   2.985
  289   1HD   LYS  39           HD2      LYS  39  52.133   6.101   2.688
  290   2HD   LYS  39           HD1      LYS  39  52.738   6.258   1.037
  291   1HE   LYS  39           HE2      LYS  39  51.321   4.642   0.326
  292   2HE   LYS  39           HE1      LYS  39  51.943   3.516   1.549
  293   1HZ   LYS  39           HZ2      LYS  39  49.990   5.697   2.070
  294   2HZ   LYS  39           HZ1      LYS  39  49.593   4.051   1.923
  295   3HZ   LYS  39           HZ3      LYS  39  50.567   4.576   3.208
  296    H    GLU  40           HN       GLU  40  57.479   3.656  -0.313
  297    HA   GLU  40           HA       GLU  40  56.340   2.424  -2.792
  298   1HB   GLU  40           HB2      GLU  40  58.146   4.652  -2.104
  299   2HB   GLU  40           HB1      GLU  40  58.705   3.670  -3.459
  300   1HG   GLU  40           HG2      GLU  40  57.311   4.984  -4.689
  301   2HG   GLU  40           HG1      GLU  40  56.050   3.923  -4.060
  302    H    LEU  41           HN       LEU  41  58.818   2.082  -0.355
  303    HA   LEU  41           HA       LEU  41  60.858   0.623  -1.491
  304   1HB   LEU  41           HB2      LEU  41  60.271   1.204   0.965
  305   2HB   LEU  41           HB1      LEU  41  59.413  -0.338   0.980
  306    HG   LEU  41           HG       LEU  41  61.775  -0.523   1.793
  307   1HD1  LEU  41          HD11      LEU  41  60.372  -2.259   0.273
  308   2HD1  LEU  41          HD13      LEU  41  61.765  -2.016  -0.781
  309   3HD1  LEU  41          HD12      LEU  41  61.996  -2.610   0.864
  310   1HD2  LEU  41          HD22      LEU  41  62.411   1.245  -0.125
  311   2HD2  LEU  41          HD21      LEU  41  63.584   0.083   0.492
  312   3HD2  LEU  41          HD23      LEU  41  62.735  -0.239  -1.021
  313    H    GLY  42           HN       GLY  42  57.777  -0.852  -0.376
  314   1HA   GLY  42           HA2      GLY  42  58.162  -3.478  -1.154
  315   2HA   GLY  42           HA1      GLY  42  56.597  -2.675  -1.306
  316    H    LYS  43           HN       LYS  43  56.686  -1.017  -3.316
  317    HA   LYS  43           HA       LYS  43  56.845  -2.611  -5.683
  318   1HB   LYS  43           HB2      LYS  43  56.809   0.382  -5.184
  319   2HB   LYS  43           HB1      LYS  43  56.582  -0.346  -6.773
  320   1HG   LYS  43           HG2      LYS  43  54.792  -1.785  -5.314
  321   2HG   LYS  43           HG1      LYS  43  54.730  -0.239  -4.467
  322   1HD   LYS  43           HD2      LYS  43  54.663  -0.211  -7.457
  323   2HD   LYS  43           HD1      LYS  43  53.200  -0.691  -6.596
  324   1HE   LYS  43           HE2      LYS  43  54.690   1.816  -5.808
  325   2HE   LYS  43           HE1      LYS  43  53.489   1.836  -7.114
  326   1HZ   LYS  43           HZ3      LYS  43  52.769   0.409  -4.674
  327   2HZ   LYS  43           HZ2      LYS  43  52.808   2.105  -4.574
  328   3HZ   LYS  43           HZ1      LYS  43  51.800   1.341  -5.708
  329    H    VAL  44           HN       VAL  44  59.140  -0.347  -4.186
  330    HA   VAL  44           HA       VAL  44  61.024  -0.176  -6.320
  331    HB   VAL  44           HB       VAL  44  61.275  -0.059  -3.300
  332   1HG1  VAL  44          HG11      VAL  44  63.271   0.534  -5.493
  333   2HG1  VAL  44          HG13      VAL  44  63.403   1.253  -3.889
  334   3HG1  VAL  44          HG12      VAL  44  63.482  -0.499  -4.079
  335   1HG2  VAL  44          HG21      VAL  44  60.519   1.816  -5.466
  336   2HG2  VAL  44          HG23      VAL  44  60.081   1.834  -3.759
  337   3HG2  VAL  44          HG22      VAL  44  61.645   2.463  -4.272
  338    H    MET  45           HN       MET  45  60.924  -2.401  -3.507
  339    HA   MET  45           HA       MET  45  63.245  -3.909  -4.092
  340   1HB   MET  45           HB2      MET  45  60.647  -4.319  -2.666
  341   2HB   MET  45           HB1      MET  45  61.662  -5.737  -2.941
  342   1HG   MET  45           HG2      MET  45  62.881  -3.225  -1.826
  343   2HG   MET  45           HG1      MET  45  62.007  -4.324  -0.759
  344   1HE   MET  45           HE2      MET  45  64.360  -3.869   0.239
  345   2HE   MET  45           HE1      MET  45  65.728  -4.951  -0.006
  346   3HE   MET  45           HE3      MET  45  65.503  -3.551  -1.064
  347    H    ARG  46           HN       ARG  46  59.947  -4.178  -5.371
  348    HA   ARG  46           HA       ARG  46  60.341  -6.649  -6.809
  349   1HB   ARG  46           HB2      ARG  46  58.420  -4.329  -6.852
  350   2HB   ARG  46           HB1      ARG  46  58.307  -5.584  -8.087
  351   1HG   ARG  46           HG2      ARG  46  58.228  -7.292  -6.239
  352   2HG   ARG  46           HG1      ARG  46  58.131  -5.960  -5.085
  353   1HD   ARG  46           HD2      ARG  46  56.175  -5.355  -7.004
  354   2HD   ARG  46           HD1      ARG  46  56.017  -7.101  -6.727
  355    HE   ARG  46           HE       ARG  46  56.398  -5.740  -4.221
  356   1HH1  ARG  46          HH21      ARG  46  54.127  -5.782  -6.787
  357   2HH1  ARG  46          HH22      ARG  46  52.741  -5.848  -5.750
  358   1HH2  ARG  46          HH11      ARG  46  54.605  -6.059  -2.834
  359   2HH2  ARG  46          HH12      ARG  46  53.012  -6.007  -3.510
  360    H    MET  47           HN       MET  47  60.640  -3.212  -7.707
  361    HA   MET  47           HA       MET  47  61.110  -3.475 -10.479
  362   1HB   MET  47           HB2      MET  47  61.813  -1.588  -8.278
  363   2HB   MET  47           HB1      MET  47  62.680  -1.393  -9.802
  364   1HG   MET  47           HG2      MET  47  59.823  -1.818 -10.215
  365   2HG   MET  47           HG1      MET  47  60.144  -0.394  -9.226
  366   1HE   MET  47           HE3      MET  47  62.063   1.131  -9.675
  367   2HE   MET  47           HE2      MET  47  63.271   0.207 -10.566
  368   3HE   MET  47           HE1      MET  47  62.595   1.672 -11.273
  369    H    LEU  48           HN       LEU  48  63.586  -3.265  -7.893
  370    HA   LEU  48           HA       LEU  48  65.845  -3.852  -9.508
  371   1HB   LEU  48           HB2      LEU  48  65.330  -4.589  -6.609
  372   2HB   LEU  48           HB1      LEU  48  66.903  -4.306  -7.356
  373    HG   LEU  48           HG       LEU  48  65.031  -2.086  -7.762
  374   1HD1  LEU  48          HD11      LEU  48  64.919  -3.280  -5.233
  375   2HD1  LEU  48          HD13      LEU  48  66.033  -1.927  -5.033
  376   3HD1  LEU  48          HD12      LEU  48  64.401  -1.644  -5.641
  377   1HD2  LEU  48          HD21      LEU  48  67.874  -2.615  -7.215
  378   2HD2  LEU  48          HD23      LEU  48  67.135  -1.331  -8.173
  379   3HD2  LEU  48          HD22      LEU  48  67.259  -1.165  -6.421
  380    H    GLY  49           HN       GLY  49  64.096  -6.109  -7.336
  381   1HA   GLY  49           HA2      GLY  49  63.570  -8.251  -8.904
  382   2HA   GLY  49           HA1      GLY  49  65.318  -8.403  -8.721
  383    H    GLN  50           HN       GLN  50  63.064  -7.204  -6.255
  384    HA   GLN  50           HA       GLN  50  63.835  -9.562  -4.565
  385   1HB   GLN  50           HB2      GLN  50  63.458  -6.622  -4.064
  386   2HB   GLN  50           HB1      GLN  50  63.233  -7.761  -2.735
  387   1HG   GLN  50           HG2      GLN  50  65.475  -7.655  -2.460
  388   2HG   GLN  50           HG1      GLN  50  65.582  -8.636  -3.923
  389   1HE2  GLN  50          HE22      GLN  50  67.650  -5.721  -4.727
  390   2HE2  GLN  50          HE21      GLN  50  67.745  -7.143  -3.804
  391    H    ASN  51           HN       ASN  51  62.103  -9.852  -2.731
  392    HA   ASN  51           HA       ASN  51  59.343  -9.201  -3.606
  393   1HB   ASN  51           HB2      ASN  51  58.766 -11.633  -3.567
  394   2HB   ASN  51           HB1      ASN  51  59.944 -11.243  -4.819
  395   1HD2  ASN  51          HD22      ASN  51  61.351 -14.195  -3.124
  396   2HD2  ASN  51          HD21      ASN  51  60.066 -13.842  -4.177
  397    HA   PRO  52           HA       PRO  52  60.221  -9.626   1.001
  398   1HB   PRO  52           HB2      PRO  52  60.006  -6.981   1.665
  399   2HB   PRO  52           HB1      PRO  52  61.543  -7.735   1.197
  400   1HG   PRO  52           HG2      PRO  52  59.708  -6.028  -0.401
  401   2HG   PRO  52           HG1      PRO  52  61.477  -6.092  -0.398
  402   1HD   PRO  52           HD2      PRO  52  59.904  -7.255  -2.317
  403   2HD   PRO  52           HD1      PRO  52  61.545  -7.801  -1.907
  404    H    THR  53           HN       THR  53  58.615  -8.910   2.759
  405    HA   THR  53           HA       THR  53  55.871  -8.905   1.607
  406    HB   THR  53           HB       THR  53  55.593  -9.251   4.288
  407    HG1  THR  53           HG1      THR  53  57.487 -10.697   4.710
  408   1HG2  THR  53          HG22      THR  53  54.869 -10.781   2.461
  409   2HG2  THR  53          HG21      THR  53  56.519 -11.395   2.357
  410   3HG2  THR  53          HG23      THR  53  55.576 -11.646   3.825
  411    HA   PRO  54           HA       PRO  54  54.921  -4.845   2.970
  412   1HB   PRO  54           HB2      PRO  54  52.476  -5.116   4.169
  413   2HB   PRO  54           HB1      PRO  54  52.708  -5.242   2.413
  414   1HG   PRO  54           HG2      PRO  54  52.375  -7.396   4.436
  415   2HG   PRO  54           HG1      PRO  54  51.756  -7.294   2.781
  416   1HD   PRO  54           HD2      PRO  54  53.934  -8.782   3.501
  417   2HD   PRO  54           HD1      PRO  54  53.685  -8.117   1.872
  418    H    GLU  55           HN       GLU  55  54.476  -7.341   5.461
  419    HA   GLU  55           HA       GLU  55  54.555  -5.529   7.721
  420   1HB   GLU  55           HB2      GLU  55  54.800  -8.480   7.207
  421   2HB   GLU  55           HB1      GLU  55  55.184  -7.853   8.811
  422   1HG   GLU  55           HG2      GLU  55  52.830  -6.554   8.263
  423   2HG   GLU  55           HG1      GLU  55  52.570  -8.109   7.472
  424    H    GLU  56           HN       GLU  56  56.994  -7.743   6.300
  425    HA   GLU  56           HA       GLU  56  59.154  -6.993   8.012
  426   1HB   GLU  56           HB2      GLU  56  58.677  -8.429   5.483
  427   2HB   GLU  56           HB1      GLU  56  60.289  -7.722   5.606
  428   1HG   GLU  56           HG2      GLU  56  59.054  -9.397   7.804
  429   2HG   GLU  56           HG1      GLU  56  60.074 -10.076   6.536
  430    H    LEU  57           HN       LEU  57  57.914  -5.580   5.009
  431    HA   LEU  57           HA       LEU  57  59.947  -3.913   4.150
  432   1HB   LEU  57           HB2      LEU  57  57.327  -4.212   3.616
  433   2HB   LEU  57           HB1      LEU  57  57.246  -2.700   4.522
  434    HG   LEU  57           HG       LEU  57  59.439  -2.378   2.811
  435   1HD1  LEU  57          HD11      LEU  57  57.650  -4.337   1.721
  436   2HD1  LEU  57          HD13      LEU  57  57.518  -2.861   0.763
  437   3HD1  LEU  57          HD12      LEU  57  59.088  -3.634   0.980
  438   1HD2  LEU  57          HD22      LEU  57  57.006  -1.111   3.465
  439   2HD2  LEU  57          HD21      LEU  57  58.326  -0.438   2.507
  440   3HD2  LEU  57          HD23      LEU  57  56.994  -1.276   1.709
  441    H    GLN  58           HN       GLN  58  57.477  -2.767   6.486
  442    HA   GLN  58           HA       GLN  58  58.893  -0.449   7.321
  443   1HB   GLN  58           HB2      GLN  58  56.443  -1.354   7.682
  444   2HB   GLN  58           HB1      GLN  58  57.123  -2.048   9.155
  445   1HG   GLN  58           HG2      GLN  58  56.981   0.866   8.364
  446   2HG   GLN  58           HG1      GLN  58  56.302   0.094   9.795
  447   1HE2  GLN  58          HE22      GLN  58  60.064   1.500   9.934
  448   2HE2  GLN  58          HE21      GLN  58  59.011   1.820   8.642
  449    H    GLU  59           HN       GLU  59  58.792  -3.721   8.766
  450    HA   GLU  59           HA       GLU  59  60.521  -3.163  10.976
  451   1HB   GLU  59           HB2      GLU  59  59.484  -5.524   9.476
  452   2HB   GLU  59           HB1      GLU  59  60.866  -5.797  10.538
  453   1HG   GLU  59           HG2      GLU  59  59.674  -4.984  12.450
  454   2HG   GLU  59           HG1      GLU  59  58.368  -4.352  11.447
  455    H    MET  60           HN       MET  60  61.171  -3.655   7.593
  456    HA   MET  60           HA       MET  60  63.977  -4.432   7.957
  457   1HB   MET  60           HB2      MET  60  62.208  -4.883   6.035
  458   2HB   MET  60           HB1      MET  60  62.808  -3.343   5.417
  459   1HG   MET  60           HG2      MET  60  64.479  -4.545   4.477
  460   2HG   MET  60           HG1      MET  60  65.132  -4.684   6.109
  461   1HE   MET  60           HE1      MET  60  64.588  -6.253   7.722
  462   2HE   MET  60           HE3      MET  60  64.327  -7.979   7.433
  463   3HE   MET  60           HE2      MET  60  65.822  -7.210   6.906
  464    H    ILE  61           HN       ILE  61  62.257  -1.508   6.796
  465    HA   ILE  61           HA       ILE  61  64.659   0.075   6.503
  466    HB   ILE  61           HB       ILE  61  61.701   0.688   6.751
  467   1HG1  ILE  61          HG12      ILE  61  63.557   0.838   4.358
  468   2HG1  ILE  61          HG11      ILE  61  62.600  -0.592   4.748
  469   1HG2  ILE  61          HG21      ILE  61  64.048   2.518   6.183
  470   2HG2  ILE  61          HG23      ILE  61  62.382   2.932   5.777
  471   3HG2  ILE  61          HG22      ILE  61  62.842   2.682   7.460
  472   1HD1  ILE  61          HD13      ILE  61  60.570   0.990   4.787
  473   2HD1  ILE  61          HD12      ILE  61  61.619   2.160   3.986
  474   3HD1  ILE  61          HD11      ILE  61  61.262   0.619   3.208
  475    H    ASP  62           HN       ASP  62  62.568  -0.688   9.201
  476    HA   ASP  62           HA       ASP  62  63.449   1.562  10.860
  477   1HB   ASP  62           HB2      ASP  62  61.217   0.508  11.027
  478   2HB   ASP  62           HB1      ASP  62  61.975  -1.019  11.481
  479    H    GLU  63           HN       GLU  63  65.180  -0.940   9.751
  480    HA   GLU  63           HA       GLU  63  66.490  -1.567  12.368
  481   1HB   GLU  63           HB2      GLU  63  65.737  -3.036   9.989
  482   2HB   GLU  63           HB1      GLU  63  67.468  -3.205  10.286
  483   1HG   GLU  63           HG2      GLU  63  66.872  -3.722  12.710
  484   2HG   GLU  63           HG1      GLU  63  65.196  -3.854  12.174
  485    H    VAL  64           HN       VAL  64  67.035  -0.215   9.149
  486    HA   VAL  64           HA       VAL  64  69.933   0.121   9.790
  487    HB   VAL  64           HB       VAL  64  68.940  -0.958   7.640
  488   1HG1  VAL  64          HG13      VAL  64  68.563   1.994   7.049
  489   2HG1  VAL  64          HG12      VAL  64  68.471   0.704   5.849
  490   3HG1  VAL  64          HG11      VAL  64  67.286   0.781   7.154
  491   1HG2  VAL  64          HG22      VAL  64  71.216   0.805   8.090
  492   2HG2  VAL  64          HG21      VAL  64  71.134  -0.706   7.185
  493   3HG2  VAL  64          HG23      VAL  64  70.711   0.816   6.400
  494    H    ASP  65           HN       ASP  65  66.994   1.948   8.982
  495    HA   ASP  65           HA       ASP  65  67.894   4.502   8.456
  496   1HB   ASP  65           HB2      ASP  65  65.545   3.293   9.261
  497   2HB   ASP  65           HB1      ASP  65  65.869   4.406  10.589
  498    H    GLU  66           HN       GLU  66  69.842   5.155   9.439
  499    HA   GLU  66           HA       GLU  66  70.288   4.878  12.315
  500   1HB   GLU  66           HB2      GLU  66  71.685   6.105   9.945
  501   2HB   GLU  66           HB1      GLU  66  72.281   6.408  11.578
  502   1HG   GLU  66           HG2      GLU  66  72.176   3.843  11.885
  503   2HG   GLU  66           HG1      GLU  66  72.057   3.772  10.127
  504    H    ASP  67           HN       ASP  67  68.283   6.897  10.639
  505    HA   ASP  67           HA       ASP  67  68.695   9.136  12.597
  506   1HB   ASP  67           HB2      ASP  67  68.022  10.640  10.802
  507   2HB   ASP  67           HB1      ASP  67  69.317   9.602  10.204
  508    H    GLY  68           HN       GLY  68  66.700   6.615  11.840
  509   1HA   GLY  68           HA2      GLY  68  64.399   6.189  12.131
  510   2HA   GLY  68           HA1      GLY  68  64.588   7.257  13.523
  511    H    SER  69           HN       SER  69  64.960   8.155  10.113
  512    HA   SER  69           HA       SER  69  63.186  10.447  10.463
  513   1HB   SER  69           HB2      SER  69  63.686  10.465   7.873
  514   2HB   SER  69           HB1      SER  69  64.985  10.803   9.014
  515    HG   SER  69           HG       SER  69  64.363   8.274   7.874
  516    H    GLY  70           HN       GLY  70  62.950   7.232   9.002
  517   1HA   GLY  70           HA2      GLY  70  60.651   6.231   9.002
  518   2HA   GLY  70           HA1      GLY  70  60.065   7.798   8.444
  519    H    THR  71           HN       THR  71  62.482   8.082   6.670
  520    HA   THR  71           HA       THR  71  61.550   6.234   4.497
  521    HB   THR  71           HB       THR  71  62.349   8.112   3.020
  522    HG1  THR  71           HG1      THR  71  63.731   9.290   4.126
  523   1HG2  THR  71          HG23      THR  71  60.051   7.999   4.709
  524   2HG2  THR  71          HG22      THR  71  60.551   9.685   4.583
  525   3HG2  THR  71          HG21      THR  71  60.202   8.758   3.124
  526    H    VAL  72           HN       VAL  72  63.305   5.702   2.885
  527    HA   VAL  72           HA       VAL  72  65.852   5.129   4.316
  528    HB   VAL  72           HB       VAL  72  65.007   4.172   1.576
  529   1HG1  VAL  72          HG11      VAL  72  66.718   3.057   3.815
  530   2HG1  VAL  72          HG13      VAL  72  66.287   2.149   2.366
  531   3HG1  VAL  72          HG12      VAL  72  67.267   3.608   2.232
  532   1HG2  VAL  72          HG21      VAL  72  63.924   3.420   4.268
  533   2HG2  VAL  72          HG23      VAL  72  63.095   3.505   2.714
  534   3HG2  VAL  72          HG22      VAL  72  64.157   2.144   3.072
  535    H    ASP  73           HN       ASP  73  67.466   6.616   3.995
  536    HA   ASP  73           HA       ASP  73  67.423   8.384   1.629
  537   1HB   ASP  73           HB2      ASP  73  67.939   8.959   4.105
  538   2HB   ASP  73           HB1      ASP  73  69.517   8.231   3.801
  539    H    PHE  74           HN       PHE  74  69.426   8.627   0.315
  540    HA   PHE  74           HA       PHE  74  70.329   6.370  -0.996
  541   1HB   PHE  74           HB2      PHE  74  70.759   8.761  -1.569
  542   2HB   PHE  74           HB1      PHE  74  71.964   8.827  -0.282
  543    HD1  PHE  74           HD1      PHE  74  73.878   7.073  -0.366
  544    HD2  PHE  74           HD2      PHE  74  71.372   8.039  -3.718
  545    HE1  PHE  74           HE1      PHE  74  75.578   6.134  -1.908
  546    HE2  PHE  74           HE2      PHE  74  73.072   7.100  -5.260
  547    HZ   PHE  74           HZ       PHE  74  75.175   6.148  -4.354
  548    H    ASP  75           HN       ASP  75  72.298   7.977   1.540
  549    HA   ASP  75           HA       ASP  75  74.231   5.960   1.863
  550   1HB   ASP  75           HB2      ASP  75  74.746   7.121   3.880
  551   2HB   ASP  75           HB1      ASP  75  74.026   8.342   2.832
  552    H    GLU  76           HN       GLU  76  71.075   6.293   3.507
  553    HA   GLU  76           HA       GLU  76  71.396   3.952   5.177
  554   1HB   GLU  76           HB2      GLU  76  69.122   5.712   4.258
  555   2HB   GLU  76           HB1      GLU  76  68.821   4.303   5.275
  556   1HG   GLU  76           HG2      GLU  76  70.236   5.162   7.022
  557   2HG   GLU  76           HG1      GLU  76  70.820   6.463   5.984
  558    H    PHE  77           HN       PHE  77  69.426   4.527   2.237
  559    HA   PHE  77           HA       PHE  77  68.320   2.041   1.784
  560   1HB   PHE  77           HB2      PHE  77  68.041   4.029   0.365
  561   2HB   PHE  77           HB1      PHE  77  69.707   3.880  -0.193
  562    HD1  PHE  77           HD2      PHE  77  70.397   1.942  -1.592
  563    HD2  PHE  77           HD1      PHE  77  66.297   2.614  -0.505
  564    HE1  PHE  77           HE2      PHE  77  69.669   0.371  -3.367
  565    HE2  PHE  77           HE1      PHE  77  65.568   1.045  -2.280
  566    HZ   PHE  77           HZ       PHE  77  67.254  -0.077  -3.712
  567    H    LEU  78           HN       LEU  78  71.630   2.999   0.772
  568    HA   LEU  78           HA       LEU  78  72.496   0.646  -0.440
  569   1HB   LEU  78           HB2      LEU  78  73.700   2.850   1.146
  570   2HB   LEU  78           HB1      LEU  78  74.704   1.415   0.939
  571    HG   LEU  78           HG       LEU  78  73.417   3.046  -1.268
  572   1HD1  LEU  78          HD11      LEU  78  76.169   2.798  -0.121
  573   2HD1  LEU  78          HD13      LEU  78  76.015   3.040  -1.860
  574   3HD1  LEU  78          HD12      LEU  78  75.339   4.224  -0.742
  575   1HD2  LEU  78          HD23      LEU  78  74.443   0.291  -1.168
  576   2HD2  LEU  78          HD22      LEU  78  73.441   1.070  -2.392
  577   3HD2  LEU  78          HD21      LEU  78  75.193   1.272  -2.427
  578    H    VAL  79           HN       VAL  79  73.217   1.354   3.001
  579    HA   VAL  79           HA       VAL  79  74.048  -1.184   3.803
  580    HB   VAL  79           HB       VAL  79  72.311   0.812   5.299
  581   1HG1  VAL  79          HG13      VAL  79  72.740  -1.611   6.221
  582   2HG1  VAL  79          HG12      VAL  79  74.364  -1.002   6.541
  583   3HG1  VAL  79          HG11      VAL  79  72.968  -0.226   7.290
  584   1HG2  VAL  79          HG22      VAL  79  74.695   1.348   4.139
  585   2HG2  VAL  79          HG21      VAL  79  74.201   2.066   5.672
  586   3HG2  VAL  79          HG23      VAL  79  75.263   0.659   5.659
  587    H    MET  80           HN       MET  80  70.792  -0.098   3.077
  588    HA   MET  80           HA       MET  80  69.417  -2.334   4.333
  589   1HB   MET  80           HB2      MET  80  68.832   0.135   3.058
  590   2HB   MET  80           HB1      MET  80  67.988  -1.115   2.142
  591   1HG   MET  80           HG2      MET  80  67.875  -1.121   5.148
  592   2HG   MET  80           HG1      MET  80  66.807  -0.062   4.227
  593   1HE   MET  80           HE3      MET  80  65.483  -0.496   2.603
  594   2HE   MET  80           HE2      MET  80  64.931  -2.021   1.914
  595   3HE   MET  80           HE1      MET  80  64.160  -1.388   3.366
  596    H    MET  81           HN       MET  81  70.605  -1.598   1.063
  597    HA   MET  81           HA       MET  81  69.470  -3.886  -0.258
  598   1HB   MET  81           HB2      MET  81  71.531  -1.797  -0.714
  599   2HB   MET  81           HB1      MET  81  71.710  -3.265  -1.676
  600   1HG   MET  81           HG2      MET  81  69.142  -1.670  -1.464
  601   2HG   MET  81           HG1      MET  81  70.293  -1.528  -2.793
  602   1HE   MET  81           HE1      MET  81  67.484  -1.989  -3.416
  603   2HE   MET  81           HE3      MET  81  66.848  -3.635  -3.552
  604   3HE   MET  81           HE2      MET  81  67.035  -2.887  -1.968
  605    H    VAL  82           HN       VAL  82  72.859  -3.306   0.769
  606    HA   VAL  82           HA       VAL  82  73.891  -5.880   0.344
  607    HB   VAL  82           HB       VAL  82  75.370  -4.126   0.927
  608   1HG1  VAL  82          HG13      VAL  82  73.358  -3.614   3.082
  609   2HG1  VAL  82          HG12      VAL  82  75.029  -3.124   3.369
  610   3HG1  VAL  82          HG11      VAL  82  74.145  -2.475   1.988
  611   1HG2  VAL  82          HG23      VAL  82  75.286  -6.453   2.515
  612   2HG2  VAL  82          HG22      VAL  82  76.673  -5.394   2.259
  613   3HG2  VAL  82          HG21      VAL  82  75.603  -5.128   3.635
  614    H    ARG  83           HN       ARG  83  71.810  -4.725   2.942
  615    HA   ARG  83           HA       ARG  83  72.182  -6.859   4.809
  616   1HB   ARG  83           HB2      ARG  83  70.171  -4.755   4.175
  617   2HB   ARG  83           HB1      ARG  83  69.619  -6.087   5.193
  618   1HG   ARG  83           HG2      ARG  83  71.425  -5.692   6.774
  619   2HG   ARG  83           HG1      ARG  83  72.118  -4.455   5.726
  620   1HD   ARG  83           HD2      ARG  83  70.652  -2.871   6.456
  621   2HD   ARG  83           HD1      ARG  83  69.278  -3.992   6.379
  622    HE   ARG  83           HE       ARG  83  70.071  -4.947   8.548
  623   1HH1  ARG  83          HH21      ARG  83  72.808  -3.514   8.240
  624   2HH1  ARG  83          HH22      ARG  83  72.660  -2.307   9.473
  625   1HH2  ARG  83          HH11      ARG  83  69.233  -2.700   9.823
  626   2HH2  ARG  83          HH12      ARG  83  70.638  -1.846  10.369
  627    H    CYS  84           HN       CYS  84  69.532  -6.421   2.423
  628    HA   CYS  84           HA       CYS  84  68.282  -8.918   2.715
  629   1HB   CYS  84           HB2      CYS  84  67.354  -7.130   1.382
  630   2HB   CYS  84           HB1      CYS  84  68.749  -7.141   0.302
  631    HG   CYS  84           HG       CYS  84  66.913  -9.663   0.463
  632    H    MET  85           HN       MET  85  70.726  -8.115   0.201
  633    HA   MET  85           HA       MET  85  71.131 -10.902  -0.510
  634   1HB   MET  85           HB2      MET  85  72.862  -9.946  -1.954
  635   2HB   MET  85           HB1      MET  85  71.429  -8.920  -2.008
  636   1HG   MET  85           HG2      MET  85  72.420  -7.234  -0.750
  637   2HG   MET  85           HG1      MET  85  73.554  -8.339   0.026
  638   1HE   MET  85           HE1      MET  85  72.813  -5.820  -1.974
  639   2HE   MET  85           HE3      MET  85  74.413  -5.318  -2.539
  640   3HE   MET  85           HE2      MET  85  73.293  -6.110  -3.645
  641    H    LYS  86           HN       LYS  86  72.148  -9.062   2.131
  642    HA   LYS  86           HA       LYS  86  73.783  -9.427   3.797
  643   1HB   LYS  86           HB2      LYS  86  73.294 -12.096   2.490
  644   2HB   LYS  86           HB1      LYS  86  74.482 -11.952   3.785
  645   1HG   LYS  86           HG2      LYS  86  72.779 -11.009   5.277
  646   2HG   LYS  86           HG1      LYS  86  71.583 -11.084   3.982
  647   1HD   LYS  86           HD2      LYS  86  71.079 -13.150   4.744
  648   2HD   LYS  86           HD1      LYS  86  72.622 -13.663   4.060
  649   1HE   LYS  86           HE2      LYS  86  72.965 -14.333   6.254
  650   2HE   LYS  86           HE1      LYS  86  73.513 -12.651   6.403
  651   1HZ   LYS  86           HZ2      LYS  86  70.678 -13.460   6.725
  652   2HZ   LYS  86           HZ1      LYS  86  71.752 -13.346   8.036
  653   3HZ   LYS  86           HZ3      LYS  86  71.384 -11.966   7.120
  654    H    ASP  87           HN       ASP  87  75.250 -11.858   1.735
  655    HA   ASP  87           HA       ASP  87  77.253 -10.013   0.619
  656   1HB   ASP  87           HB2      ASP  87  77.544 -11.130   3.209
  657   2HB   ASP  87           HB1      ASP  87  78.664 -12.004   2.163
  658    H    ASP  88           HN       ASP  88  77.090 -10.909  -1.439
  659    HA   ASP  88           HA       ASP  88  77.464 -12.502  -3.150
  660   1HB   ASP  88           HB2      ASP  88  79.378 -12.873  -1.310
  661   2HB   ASP  88           HB1      ASP  88  78.545 -14.418  -1.129
  662    H    SER  89           HN       SER  89  77.436 -15.447  -2.512
  663    HA   SER  89           HA       SER  89  75.842 -17.185  -2.350
  664   1HB   SER  89           HB2      SER  89  75.298 -15.198  -0.313
  665   2HB   SER  89           HB1      SER  89  73.796 -15.946  -0.850
  666    HG   SER  89           HG       SER  89  75.967 -17.025   0.493
   
  No H/Q in entry =         666
  Start of MODEL    8
    1   1H    MET   1           HT1      MET   1  77.391   5.489  15.435
    2   2H    MET   1           HT3      MET   1  78.016   6.003  16.926
    3   3H    MET   1           HT2      MET   1  79.070   5.654  15.639
    4    HA   MET   1           HA       MET   1  79.277   3.721  16.839
    5   1HB   MET   1           HB2      MET   1  76.553   4.610  17.683
    6   2HB   MET   1           HB1      MET   1  76.927   2.894  17.848
    7   1HG   MET   1           HG2      MET   1  79.204   4.262  18.792
    8   2HG   MET   1           HG1      MET   1  77.818   5.108  19.481
    9   1HE   MET   1           HE1      MET   1  79.624   4.078  21.386
   10   2HE   MET   1           HE3      MET   1  79.493   2.425  22.004
   11   3HE   MET   1           HE2      MET   1  80.312   2.737  20.475
   12    H    ASP   2           HN       ASP   2  79.361   3.406  14.325
   13    HA   ASP   2           HA       ASP   2  77.884   1.021  13.651
   14   1HB   ASP   2           HB2      ASP   2  76.294   3.150  13.515
   15   2HB   ASP   2           HB1      ASP   2  77.080   3.355  11.950
   16    H    ASP   3           HN       ASP   3  79.883   0.227  12.889
   17    HA   ASP   3           HA       ASP   3  80.982   1.609  10.461
   18   1HB   ASP   3           HB2      ASP   3  82.481   0.128  12.648
   19   2HB   ASP   3           HB1      ASP   3  83.205   0.980  11.283
   20    H    ILE   4           HN       ILE   4  80.765  -1.494  12.231
   21    HA   ILE   4           HA       ILE   4  81.766  -3.311  10.409
   22    HB   ILE   4           HB       ILE   4  79.750  -4.747  11.246
   23   1HG1  ILE   4          HG12      ILE   4  79.396  -2.621  13.305
   24   2HG1  ILE   4          HG11      ILE   4  78.594  -2.369  11.754
   25   1HG2  ILE   4          HG23      ILE   4  82.178  -4.248  12.275
   26   2HG2  ILE   4          HG22      ILE   4  81.193  -3.549  13.562
   27   3HG2  ILE   4          HG21      ILE   4  80.989  -5.243  13.117
   28   1HD1  ILE   4          HD12      ILE   4  78.110  -5.056  12.358
   29   2HD1  ILE   4          HD11      ILE   4  77.911  -4.216  13.895
   30   3HD1  ILE   4          HD13      ILE   4  76.955  -3.729  12.495
   31    H    TYR   5           HN       TYR   5  78.756  -1.481  10.122
   32    HA   TYR   5           HA       TYR   5  77.971  -2.959   7.677
   33   1HB   TYR   5           HB2      TYR   5  76.799  -0.857   9.484
   34   2HB   TYR   5           HB1      TYR   5  76.096  -1.128   7.890
   35    HD1  TYR   5           HD2      TYR   5  77.532  -3.347  10.558
   36    HD2  TYR   5           HD1      TYR   5  74.212  -2.491   7.971
   37    HE1  TYR   5           HE2      TYR   5  76.350  -5.350  11.415
   38    HE2  TYR   5           HE1      TYR   5  73.028  -4.495   8.827
   39    HH   TYR   5           HH       TYR   5  74.237  -6.924  10.134
   40    H    LYS   6           HN       LYS   6  79.009   0.327   8.634
   41    HA   LYS   6           HA       LYS   6  78.788   1.668   6.181
   42   1HB   LYS   6           HB2      LYS   6  80.386   1.817   8.648
   43   2HB   LYS   6           HB1      LYS   6  81.179   2.553   7.255
   44   1HG   LYS   6           HG2      LYS   6  78.396   3.284   7.251
   45   2HG   LYS   6           HG1      LYS   6  79.092   3.652   8.830
   46   1HD   LYS   6           HD2      LYS   6  79.440   5.582   7.424
   47   2HD   LYS   6           HD1      LYS   6  81.002   4.788   7.627
   48   1HE   LYS   6           HE2      LYS   6  80.986   3.914   5.436
   49   2HE   LYS   6           HE1      LYS   6  79.229   4.109   5.276
   50   1HZ   LYS   6           HZ1      LYS   6  79.652   6.558   5.622
   51   2HZ   LYS   6           HZ3      LYS   6  81.295   6.232   5.364
   52   3HZ   LYS   6           HZ2      LYS   6  80.165   5.924   4.132
   53    H    ALA   7           HN       ALA   7  80.989  -0.882   7.111
   54    HA   ALA   7           HA       ALA   7  82.813  -0.437   4.837
   55   1HB   ALA   7           HB1      ALA   7  82.777  -1.794   7.358
   56   2HB   ALA   7           HB3      ALA   7  83.115  -2.987   6.104
   57   3HB   ALA   7           HB2      ALA   7  84.146  -1.566   6.269
   58    H    ALA   8           HN       ALA   8  79.980  -2.341   5.609
   59    HA   ALA   8           HA       ALA   8  80.310  -4.333   3.518
   60   1HB   ALA   8           HB2      ALA   8  78.754  -3.982   5.750
   61   2HB   ALA   8           HB1      ALA   8  77.598  -3.623   4.467
   62   3HB   ALA   8           HB3      ALA   8  78.426  -5.181   4.501
   63    H    VAL   9           HN       VAL   9  78.402  -1.326   3.823
   64    HA   VAL   9           HA       VAL   9  77.224  -1.453   1.199
   65    HB   VAL   9           HB       VAL   9  77.817   0.855   3.082
   66   1HG1  VAL   9          HG13      VAL   9  76.234   0.613   0.545
   67   2HG1  VAL   9          HG12      VAL   9  75.658   1.696   1.812
   68   3HG1  VAL   9          HG11      VAL   9  77.254   1.940   1.101
   69   1HG2  VAL   9          HG21      VAL   9  76.413  -1.130   3.907
   70   2HG2  VAL   9          HG23      VAL   9  75.653   0.459   4.005
   71   3HG2  VAL   9          HG22      VAL   9  75.219  -0.648   2.702
   72    H    GLU  10           HN       GLU  10  80.292  -0.226   2.426
   73    HA   GLU  10           HA       GLU  10  80.967   1.297   0.035
   74   1HB   GLU  10           HB2      GLU  10  82.125   0.539   2.644
   75   2HB   GLU  10           HB1      GLU  10  83.312   0.766   1.361
   76   1HG   GLU  10           HG2      GLU  10  81.127   2.792   1.783
   77   2HG   GLU  10           HG1      GLU  10  82.591   2.839   2.765
   78    H    GLN  11           HN       GLN  11  81.373  -2.024   1.114
   79    HA   GLN  11           HA       GLN  11  83.487  -2.879  -0.568
   80   1HB   GLN  11           HB2      GLN  11  81.402  -3.965   1.098
   81   2HB   GLN  11           HB1      GLN  11  81.519  -4.920  -0.380
   82   1HG   GLN  11           HG2      GLN  11  83.150  -5.964   0.886
   83   2HG   GLN  11           HG1      GLN  11  84.126  -4.716   0.112
   84   1HE2  GLN  11          HE22      GLN  11  83.252  -4.388   4.108
   85   2HE2  GLN  11          HE21      GLN  11  82.349  -5.448   3.138
   86    H    LEU  12           HN       LEU  12  80.127  -2.156  -1.303
   87    HA   LEU  12           HA       LEU  12  79.747  -3.551  -3.723
   88   1HB   LEU  12           HB2      LEU  12  78.883  -0.795  -2.791
   89   2HB   LEU  12           HB1      LEU  12  78.209  -1.597  -4.210
   90    HG   LEU  12           HG       LEU  12  78.203  -2.784  -1.420
   91   1HD1  LEU  12          HD12      LEU  12  76.770  -0.674  -1.847
   92   2HD1  LEU  12          HD11      LEU  12  75.813  -1.702  -2.913
   93   3HD1  LEU  12          HD13      LEU  12  75.949  -2.094  -1.199
   94   1HD2  LEU  12          HD21      LEU  12  77.432  -3.712  -4.125
   95   2HD2  LEU  12          HD23      LEU  12  77.883  -4.649  -2.700
   96   3HD2  LEU  12          HD22      LEU  12  76.242  -4.022  -2.860
   97    H    THR  13           HN       THR  13  79.875  -2.632  -5.966
   98    HA   THR  13           HA       THR  13  82.475  -1.253  -6.365
   99    HB   THR  13           HB       THR  13  81.374  -1.923  -8.832
  100    HG1  THR  13           HG1      THR  13  79.980  -3.439  -8.514
  101   1HG2  THR  13          HG22      THR  13  83.215  -3.313  -6.900
  102   2HG2  THR  13          HG21      THR  13  82.817  -4.057  -8.450
  103   3HG2  THR  13          HG23      THR  13  83.611  -2.482  -8.405
  104    H    GLU  14           HN       GLU  14  82.529   0.458  -8.114
  105    HA   GLU  14           HA       GLU  14  80.643   2.569  -7.575
  106   1HB   GLU  14           HB2      GLU  14  82.874   2.031  -9.524
  107   2HB   GLU  14           HB1      GLU  14  81.885   3.481  -9.704
  108   1HG   GLU  14           HG2      GLU  14  82.466   4.247  -7.498
  109   2HG   GLU  14           HG1      GLU  14  83.247   2.713  -7.111
  110    H    GLU  15           HN       GLU  15  81.148   0.493 -10.455
  111    HA   GLU  15           HA       GLU  15  79.239   1.442 -12.212
  112   1HB   GLU  15           HB2      GLU  15  79.026  -0.972 -12.892
  113   2HB   GLU  15           HB1      GLU  15  80.696  -0.457 -12.660
  114   1HG   GLU  15           HG2      GLU  15  80.123  -1.278 -10.148
  115   2HG   GLU  15           HG1      GLU  15  79.062  -2.351 -11.061
  116    H    GLN  16           HN       GLN  16  78.646  -0.429  -9.257
  117    HA   GLN  16           HA       GLN  16  75.771  -0.697  -9.791
  118   1HB   GLN  16           HB2      GLN  16  77.068  -2.399  -8.581
  119   2HB   GLN  16           HB1      GLN  16  77.512  -1.212  -7.356
  120   1HG   GLN  16           HG2      GLN  16  75.602  -1.616  -6.242
  121   2HG   GLN  16           HG1      GLN  16  74.661  -1.184  -7.669
  122   1HE2  GLN  16          HE22      GLN  16  74.134  -4.833  -6.684
  123   2HE2  GLN  16          HE21      GLN  16  74.113  -3.410  -5.757
  124    H    LYS  17           HN       LYS  17  77.741   1.052  -7.351
  125    HA   LYS  17           HA       LYS  17  75.650   2.467  -6.082
  126   1HB   LYS  17           HB2      LYS  17  78.529   2.466  -6.271
  127   2HB   LYS  17           HB1      LYS  17  77.944   4.130  -6.243
  128   1HG   LYS  17           HG2      LYS  17  77.898   3.829  -3.987
  129   2HG   LYS  17           HG1      LYS  17  76.376   2.998  -4.315
  130   1HD   LYS  17           HD2      LYS  17  77.302   1.172  -3.367
  131   2HD   LYS  17           HD1      LYS  17  78.323   1.060  -4.802
  132   1HE   LYS  17           HE2      LYS  17  79.123   2.909  -2.562
  133   2HE   LYS  17           HE1      LYS  17  79.480   1.174  -2.449
  134   1HZ   LYS  17           HZ2      LYS  17  80.021   2.594  -4.966
  135   2HZ   LYS  17           HZ1      LYS  17  81.125   2.752  -3.684
  136   3HZ   LYS  17           HZ3      LYS  17  80.782   1.218  -4.321
  137    H    ASN  18           HN       ASN  18  76.904   2.839  -9.280
  138    HA   ASN  18           HA       ASN  18  76.161   5.651  -9.610
  139   1HB   ASN  18           HB2      ASN  18  77.561   3.542 -11.001
  140   2HB   ASN  18           HB1      ASN  18  76.414   4.316 -12.095
  141   1HD2  ASN  18          HD22      ASN  18  79.794   6.202 -11.618
  142   2HD2  ASN  18          HD21      ASN  18  79.534   4.524 -11.603
  143    H    GLU  19           HN       GLU  19  74.781   2.503 -10.596
  144    HA   GLU  19           HA       GLU  19  72.511   3.660 -11.975
  145   1HB   GLU  19           HB2      GLU  19  73.539   1.420 -12.379
  146   2HB   GLU  19           HB1      GLU  19  72.961   0.899 -10.796
  147   1HG   GLU  19           HG2      GLU  19  70.750   0.857 -11.461
  148   2HG   GLU  19           HG1      GLU  19  70.987   2.102 -12.687
  149    H    PHE  20           HN       PHE  20  73.121   2.536  -8.672
  150    HA   PHE  20           HA       PHE  20  70.396   2.463  -7.773
  151   1HB   PHE  20           HB2      PHE  20  73.121   2.766  -6.518
  152   2HB   PHE  20           HB1      PHE  20  71.669   2.836  -5.520
  153    HD1  PHE  20           HD1      PHE  20  71.492   0.810  -8.536
  154    HD2  PHE  20           HD2      PHE  20  72.511   0.763  -4.362
  155    HE1  PHE  20           HE1      PHE  20  71.371  -1.666  -8.533
  156    HE2  PHE  20           HE2      PHE  20  72.390  -1.714  -4.361
  157    HZ   PHE  20           HZ       PHE  20  71.819  -2.929  -6.446
  158    H    LYS  21           HN       LYS  21  72.609   5.105  -8.352
  159    HA   LYS  21           HA       LYS  21  71.294   7.041  -6.626
  160   1HB   LYS  21           HB2      LYS  21  73.693   6.923  -7.684
  161   2HB   LYS  21           HB1      LYS  21  72.923   7.695  -9.072
  162   1HG   LYS  21           HG2      LYS  21  71.935   9.221  -7.044
  163   2HG   LYS  21           HG1      LYS  21  73.518   8.798  -6.390
  164   1HD   LYS  21           HD2      LYS  21  74.605  10.107  -7.884
  165   2HD   LYS  21           HD1      LYS  21  73.606   9.547  -9.226
  166   1HE   LYS  21           HE2      LYS  21  72.780  11.693  -9.149
  167   2HE   LYS  21           HE1      LYS  21  71.793  11.050  -7.821
  168   1HZ   LYS  21           HZ3      LYS  21  73.969  11.502  -6.470
  169   2HZ   LYS  21           HZ2      LYS  21  74.265  12.634  -7.703
  170   3HZ   LYS  21           HZ1      LYS  21  72.862  12.755  -6.752
  171    H    ALA  22           HN       ALA  22  71.205   6.383 -10.146
  172    HA   ALA  22           HA       ALA  22  69.385   8.469 -10.844
  173   1HB   ALA  22           HB3      ALA  22  70.058   5.754 -12.002
  174   2HB   ALA  22           HB2      ALA  22  68.981   6.885 -12.820
  175   3HB   ALA  22           HB1      ALA  22  70.661   7.328 -12.520
  176    H    ALA  23           HN       ALA  23  68.705   4.986 -10.299
  177    HA   ALA  23           HA       ALA  23  65.856   5.227 -10.425
  178   1HB   ALA  23           HB2      ALA  23  67.864   3.275  -9.325
  179   2HB   ALA  23           HB1      ALA  23  66.145   3.018  -9.020
  180   3HB   ALA  23           HB3      ALA  23  66.747   3.074 -10.676
  181    H    PHE  24           HN       PHE  24  68.171   5.768  -7.835
  182    HA   PHE  24           HA       PHE  24  66.492   5.598  -5.562
  183   1HB   PHE  24           HB2      PHE  24  68.853   5.856  -5.318
  184   2HB   PHE  24           HB1      PHE  24  68.870   7.310  -6.317
  185    HD1  PHE  24           HD2      PHE  24  67.993   9.449  -5.452
  186    HD2  PHE  24           HD1      PHE  24  68.179   5.931  -2.992
  187    HE1  PHE  24           HE2      PHE  24  67.660  10.844  -3.429
  188    HE2  PHE  24           HE1      PHE  24  67.847   7.327  -0.970
  189    HZ   PHE  24           HZ       PHE  24  67.586   9.784  -1.188
  190    H    ASP  25           HN       ASP  25  67.100   8.366  -7.744
  191    HA   ASP  25           HA       ASP  25  65.342  10.183  -6.335
  192   1HB   ASP  25           HB2      ASP  25  67.171  10.150  -8.530
  193   2HB   ASP  25           HB1      ASP  25  65.654  10.838  -9.109
  194    H    ILE  26           HN       ILE  26  64.743   7.517  -8.398
  195    HA   ILE  26           HA       ILE  26  62.264   8.548  -9.581
  196    HB   ILE  26           HB       ILE  26  63.559   5.813  -9.418
  197   1HG1  ILE  26          HG12      ILE  26  63.623   8.110 -11.375
  198   2HG1  ILE  26          HG11      ILE  26  64.975   7.205 -10.696
  199   1HG2  ILE  26          HG23      ILE  26  60.914   6.367 -10.008
  200   2HG2  ILE  26          HG22      ILE  26  61.672   6.368 -11.599
  201   3HG2  ILE  26          HG21      ILE  26  61.802   4.948 -10.563
  202   1HD1  ILE  26          HD13      ILE  26  63.909   5.167 -11.932
  203   2HD1  ILE  26          HD12      ILE  26  63.068   6.398 -12.875
  204   3HD1  ILE  26          HD11      ILE  26  64.830   6.342 -12.871
  205    H    PHE  27           HN       PHE  27  63.183   6.889  -6.650
  206    HA   PHE  27           HA       PHE  27  60.439   5.908  -6.137
  207   1HB   PHE  27           HB2      PHE  27  62.946   5.875  -4.428
  208   2HB   PHE  27           HB1      PHE  27  61.509   4.877  -4.205
  209    HD1  PHE  27           HD2      PHE  27  60.766   3.608  -6.490
  210    HD2  PHE  27           HD1      PHE  27  64.751   4.857  -5.483
  211    HE1  PHE  27           HE2      PHE  27  61.691   1.917  -8.051
  212    HE2  PHE  27           HE1      PHE  27  65.676   3.165  -7.043
  213    HZ   PHE  27           HZ       PHE  27  64.146   1.696  -8.328
  214    H    VAL  28           HN       VAL  28  62.207   8.784  -5.643
  215    HA   VAL  28           HA       VAL  28  60.901   9.538  -3.118
  216    HB   VAL  28           HB       VAL  28  62.215  11.599  -3.492
  217   1HG1  VAL  28          HG13      VAL  28  63.207   8.960  -3.202
  218   2HG1  VAL  28          HG12      VAL  28  64.323   9.808  -4.272
  219   3HG1  VAL  28          HG11      VAL  28  63.969  10.459  -2.671
  220   1HG2  VAL  28          HG23      VAL  28  61.878  11.008  -6.167
  221   2HG2  VAL  28          HG22      VAL  28  63.000  12.211  -5.531
  222   3HG2  VAL  28          HG21      VAL  28  63.567  10.581  -5.891
  223    H    LEU  29           HN       LEU  29  59.938   9.445  -6.335
  224    HA   LEU  29           HA       LEU  29  58.694  11.875  -6.924
  225   1HB   LEU  29           HB2      LEU  29  57.941   8.983  -7.354
  226   2HB   LEU  29           HB1      LEU  29  56.966  10.289  -8.029
  227    HG   LEU  29           HG       LEU  29  59.951  10.040  -8.475
  228   1HD1  LEU  29          HD13      LEU  29  57.919   8.400  -9.530
  229   2HD1  LEU  29          HD12      LEU  29  58.300   9.558 -10.805
  230   3HD1  LEU  29          HD11      LEU  29  59.574   8.549 -10.120
  231   1HD2  LEU  29          HD21      LEU  29  57.741  11.808  -9.510
  232   2HD2  LEU  29          HD23      LEU  29  59.321  12.271  -8.878
  233   3HD2  LEU  29          HD22      LEU  29  59.193  11.537 -10.476
  234    H    GLY  30           HN       GLY  30  57.909  12.871  -4.971
  235   1HA   GLY  30           HA2      GLY  30  55.517  13.263  -4.169
  236   2HA   GLY  30           HA1      GLY  30  55.512  11.544  -3.771
  237    H    ALA  31           HN       ALA  31  58.462  11.876  -2.987
  238    HA   ALA  31           HA       ALA  31  58.167  12.045  -0.187
  239   1HB   ALA  31           HB1      ALA  31  60.100  11.226  -1.686
  240   2HB   ALA  31           HB3      ALA  31  60.617  12.912  -1.732
  241   3HB   ALA  31           HB2      ALA  31  60.550  12.051  -0.193
  242    H    GLU  32           HN       GLU  32  59.764  13.898   0.926
  243    HA   GLU  32           HA       GLU  32  58.501  16.511   0.166
  244   1HB   GLU  32           HB2      GLU  32  59.675  15.677   2.832
  245   2HB   GLU  32           HB1      GLU  32  58.580  17.023   2.511
  246   1HG   GLU  32           HG2      GLU  32  56.799  15.447   1.885
  247   2HG   GLU  32           HG1      GLU  32  57.890  14.090   2.166
  248    H    ASP  33           HN       ASP  33  61.507  15.019   1.395
  249    HA   ASP  33           HA       ASP  33  62.998  17.480   0.566
  250   1HB   ASP  33           HB2      ASP  33  64.696  16.627   2.147
  251   2HB   ASP  33           HB1      ASP  33  63.121  16.750   2.932
  252    H    GLY  34           HN       GLY  34  62.117  14.748  -0.879
  253   1HA   GLY  34           HA2      GLY  34  63.053  13.839  -2.878
  254   2HA   GLY  34           HA1      GLY  34  64.589  14.612  -2.483
  255    H    CYS  35           HN       CYS  35  62.540  12.356  -0.614
  256    HA   CYS  35           HA       CYS  35  64.911  10.520  -0.466
  257   1HB   CYS  35           HB2      CYS  35  62.948  11.539   1.578
  258   2HB   CYS  35           HB1      CYS  35  63.777  10.005   1.839
  259    HG   CYS  35           HG       CYS  35  65.840  11.248   2.409
  260    H    ILE  36           HN       ILE  36  64.020   8.254   0.387
  261    HA   ILE  36           HA       ILE  36  61.653   7.567  -1.319
  262    HB   ILE  36           HB       ILE  36  63.627   5.553  -0.294
  263   1HG1  ILE  36          HG12      ILE  36  64.157   7.463  -2.598
  264   2HG1  ILE  36          HG11      ILE  36  65.059   7.399  -1.083
  265   1HG2  ILE  36          HG21      ILE  36  61.807   5.935  -2.641
  266   2HG2  ILE  36          HG23      ILE  36  63.226   4.906  -2.836
  267   3HG2  ILE  36          HG22      ILE  36  62.019   4.521  -1.608
  268   1HD1  ILE  36          HD11      ILE  36  64.829   4.810  -2.481
  269   2HD1  ILE  36          HD13      ILE  36  65.764   6.030  -3.345
  270   3HD1  ILE  36          HD12      ILE  36  66.231   5.554  -1.712
  271    H    SER  37           HN       SER  37  59.849   7.316  -0.051
  272    HA   SER  37           HA       SER  37  59.950   6.809   2.794
  273   1HB   SER  37           HB2      SER  37  58.178   7.929   1.189
  274   2HB   SER  37           HB1      SER  37  57.554   6.287   1.056
  275    HG   SER  37           HG       SER  37  56.538   7.089   2.801
  276    H    THR  38           HN       THR  38  58.756   4.874   3.762
  277    HA   THR  38           HA       THR  38  59.952   2.403   2.834
  278    HB   THR  38           HB       THR  38  58.682   1.484   4.753
  279    HG1  THR  38           HG1      THR  38  57.641   4.011   5.287
  280   1HG2  THR  38          HG21      THR  38  60.773   3.062   4.936
  281   2HG2  THR  38          HG23      THR  38  59.617   4.195   5.636
  282   3HG2  THR  38          HG22      THR  38  59.880   2.624   6.392
  283    H    LYS  39           HN       LYS  39  56.836   3.964   2.373
  284    HA   LYS  39           HA       LYS  39  55.293   1.699   1.559
  285   1HB   LYS  39           HB2      LYS  39  55.248   4.662   0.938
  286   2HB   LYS  39           HB1      LYS  39  54.004   3.561   0.343
  287   1HG   LYS  39           HG2      LYS  39  54.753   3.914   3.261
  288   2HG   LYS  39           HG1      LYS  39  53.344   4.638   2.484
  289   1HD   LYS  39           HD2      LYS  39  52.920   2.105   1.744
  290   2HD   LYS  39           HD1      LYS  39  53.852   1.787   3.208
  291   1HE   LYS  39           HE2      LYS  39  52.263   3.434   4.390
  292   2HE   LYS  39           HE1      LYS  39  51.229   3.276   2.956
  293   1HZ   LYS  39           HZ1      LYS  39  52.345   0.863   4.213
  294   2HZ   LYS  39           HZ3      LYS  39  50.977   1.591   4.902
  295   3HZ   LYS  39           HZ2      LYS  39  50.926   1.039   3.296
  296    H    GLU  40           HN       GLU  40  57.506   3.833  -0.219
  297    HA   GLU  40           HA       GLU  40  56.922   2.551  -2.802
  298   1HB   GLU  40           HB2      GLU  40  58.843   4.655  -1.777
  299   2HB   GLU  40           HB1      GLU  40  58.858   4.110  -3.455
  300   1HG   GLU  40           HG2      GLU  40  56.312   5.049  -2.137
  301   2HG   GLU  40           HG1      GLU  40  57.426   6.188  -2.895
  302    H    LEU  41           HN       LEU  41  59.435   2.431  -0.307
  303    HA   LEU  41           HA       LEU  41  61.565   1.158  -1.504
  304   1HB   LEU  41           HB2      LEU  41  61.196   1.748   0.925
  305   2HB   LEU  41           HB1      LEU  41  60.240   0.273   1.078
  306    HG   LEU  41           HG       LEU  41  62.696   0.079   1.750
  307   1HD1  LEU  41          HD12      LEU  41  60.968  -1.700   0.466
  308   2HD1  LEU  41          HD11      LEU  41  62.490  -1.870  -0.410
  309   3HD1  LEU  41          HD13      LEU  41  62.443  -2.126   1.335
  310   1HD2  LEU  41          HD21      LEU  41  63.175   1.409  -0.571
  311   2HD2  LEU  41          HD23      LEU  41  64.367   0.372   0.212
  312   3HD2  LEU  41          HD22      LEU  41  63.391  -0.254  -1.116
  313    H    GLY  42           HN       GLY  42  58.783  -0.650  -0.122
  314   1HA   GLY  42           HA2      GLY  42  59.424  -3.208  -0.987
  315   2HA   GLY  42           HA1      GLY  42  57.760  -2.625  -0.908
  316    H    LYS  43           HN       LYS  43  57.617  -0.765  -2.884
  317    HA   LYS  43           HA       LYS  43  57.415  -2.322  -5.276
  318   1HB   LYS  43           HB2      LYS  43  57.473   0.658  -4.714
  319   2HB   LYS  43           HB1      LYS  43  57.031  -0.029  -6.278
  320   1HG   LYS  43           HG2      LYS  43  55.368  -1.479  -4.828
  321   2HG   LYS  43           HG1      LYS  43  55.560  -0.164  -3.667
  322   1HD   LYS  43           HD2      LYS  43  54.727   1.453  -5.196
  323   2HD   LYS  43           HD1      LYS  43  54.899   0.357  -6.569
  324   1HE   LYS  43           HE2      LYS  43  52.588   0.234  -6.119
  325   2HE   LYS  43           HE1      LYS  43  53.212  -1.151  -5.202
  326   1HZ   LYS  43           HZ2      LYS  43  53.212   1.504  -3.948
  327   2HZ   LYS  43           HZ1      LYS  43  51.749   0.642  -4.021
  328   3HZ   LYS  43           HZ3      LYS  43  53.088  -0.029  -3.225
  329    H    VAL  44           HN       VAL  44  59.935  -0.129  -4.067
  330    HA   VAL  44           HA       VAL  44  61.490   0.052  -6.463
  331    HB   VAL  44           HB       VAL  44  62.415   0.063  -3.575
  332   1HG1  VAL  44          HG11      VAL  44  63.666   0.620  -6.132
  333   2HG1  VAL  44          HG13      VAL  44  63.675   2.058  -5.110
  334   3HG1  VAL  44          HG12      VAL  44  64.398   0.557  -4.529
  335   1HG2  VAL  44          HG21      VAL  44  60.584   1.817  -5.026
  336   2HG2  VAL  44          HG23      VAL  44  60.964   1.777  -3.304
  337   3HG2  VAL  44          HG22      VAL  44  61.987   2.690  -4.410
  338    H    MET  45           HN       MET  45  61.750  -2.164  -3.664
  339    HA   MET  45           HA       MET  45  63.986  -3.668  -4.381
  340   1HB   MET  45           HB2      MET  45  61.339  -4.327  -3.087
  341   2HB   MET  45           HB1      MET  45  62.596  -5.555  -3.251
  342   1HG   MET  45           HG2      MET  45  63.413  -2.906  -2.151
  343   2HG   MET  45           HG1      MET  45  62.455  -3.955  -1.105
  344   1HE   MET  45           HE2      MET  45  65.368  -2.744  -2.238
  345   2HE   MET  45           HE1      MET  45  66.642  -3.688  -1.471
  346   3HE   MET  45           HE3      MET  45  66.182  -4.013  -3.148
  347    H    ARG  46           HN       ARG  46  60.604  -4.335  -5.385
  348    HA   ARG  46           HA       ARG  46  61.111  -6.557  -7.058
  349   1HB   ARG  46           HB2      ARG  46  59.075  -4.329  -7.011
  350   2HB   ARG  46           HB1      ARG  46  58.987  -5.609  -8.222
  351   1HG   ARG  46           HG2      ARG  46  59.295  -7.162  -6.077
  352   2HG   ARG  46           HG1      ARG  46  58.587  -5.766  -5.264
  353   1HD   ARG  46           HD2      ARG  46  56.859  -5.901  -7.297
  354   2HD   ARG  46           HD1      ARG  46  57.354  -7.606  -7.276
  355    HE   ARG  46           HE       ARG  46  56.913  -6.802  -4.587
  356   1HH1  ARG  46          HH11      ARG  46  55.094  -6.826  -7.500
  357   2HH1  ARG  46          HH12      ARG  46  53.654  -7.444  -6.759
  358   1HH2  ARG  46          HH21      ARG  46  55.096  -7.788  -3.625
  359   2HH2  ARG  46          HH22      ARG  46  53.656  -7.987  -4.566
  360    H    MET  47           HN       MET  47  60.847  -3.108  -8.024
  361    HA   MET  47           HA       MET  47  61.477  -3.377 -10.753
  362   1HB   MET  47           HB2      MET  47  62.066  -1.244  -8.684
  363   2HB   MET  47           HB1      MET  47  62.355  -0.998 -10.408
  364   1HG   MET  47           HG2      MET  47  59.737  -2.110 -10.087
  365   2HG   MET  47           HG1      MET  47  59.894  -0.739  -8.989
  366   1HE   MET  47           HE2      MET  47  61.531   1.066  -9.718
  367   2HE   MET  47           HE1      MET  47  62.321   0.848 -11.278
  368   3HE   MET  47           HE3      MET  47  61.096   2.107 -11.070
  369    H    LEU  48           HN       LEU  48  63.741  -2.852  -8.023
  370    HA   LEU  48           HA       LEU  48  66.140  -2.904  -9.582
  371   1HB   LEU  48           HB2      LEU  48  65.537  -3.624  -6.696
  372   2HB   LEU  48           HB1      LEU  48  67.160  -3.357  -7.336
  373    HG   LEU  48           HG       LEU  48  64.895  -1.343  -7.255
  374   1HD1  LEU  48          HD11      LEU  48  66.265  -1.867  -5.146
  375   2HD1  LEU  48          HD13      LEU  48  67.640  -1.168  -6.000
  376   3HD1  LEU  48          HD12      LEU  48  66.220  -0.180  -5.656
  377   1HD2  LEU  48          HD23      LEU  48  67.324  -1.530  -8.897
  378   2HD2  LEU  48          HD22      LEU  48  65.916  -0.485  -9.091
  379   3HD2  LEU  48          HD21      LEU  48  67.214  -0.021  -7.990
  380    H    GLY  49           HN       GLY  49  65.166  -5.473  -7.288
  381   1HA   GLY  49           HA2      GLY  49  65.045  -7.647  -9.051
  382   2HA   GLY  49           HA1      GLY  49  66.753  -7.463  -8.649
  383    H    GLN  50           HN       GLN  50  64.056  -6.757  -6.472
  384    HA   GLN  50           HA       GLN  50  64.834  -9.144  -4.832
  385   1HB   GLN  50           HB2      GLN  50  64.482  -6.238  -4.056
  386   2HB   GLN  50           HB1      GLN  50  64.490  -7.539  -2.863
  387   1HG   GLN  50           HG2      GLN  50  66.742  -7.052  -2.866
  388   2HG   GLN  50           HG1      GLN  50  66.714  -8.215  -4.192
  389   1HE2  GLN  50          HE22      GLN  50  68.496  -5.341  -5.615
  390   2HE2  GLN  50          HE21      GLN  50  68.789  -6.606  -4.522
  391    H    ASN  51           HN       ASN  51  63.065  -9.549  -3.107
  392    HA   ASN  51           HA       ASN  51  60.371  -8.579  -3.887
  393   1HB   ASN  51           HB2      ASN  51  59.682 -11.063  -3.997
  394   2HB   ASN  51           HB1      ASN  51  60.617 -10.436  -5.355
  395   1HD2  ASN  51          HD22      ASN  51  63.107 -12.867  -4.889
  396   2HD2  ASN  51          HD21      ASN  51  62.225 -11.884  -5.957
  397    HA   PRO  52           HA       PRO  52  61.064  -9.529   0.636
  398   1HB   PRO  52           HB2      PRO  52  60.681  -6.983   1.566
  399   2HB   PRO  52           HB1      PRO  52  62.269  -7.603   1.073
  400   1HG   PRO  52           HG2      PRO  52  60.395  -5.825  -0.393
  401   2HG   PRO  52           HG1      PRO  52  62.164  -5.812  -0.346
  402   1HD   PRO  52           HD2      PRO  52  60.684  -6.838  -2.418
  403   2HD   PRO  52           HD1      PRO  52  62.346  -7.332  -2.034
  404    H    THR  53           HN       THR  53  59.360  -8.912   2.436
  405    HA   THR  53           HA       THR  53  56.673  -9.154   1.200
  406    HB   THR  53           HB       THR  53  56.434  -9.337   3.956
  407    HG1  THR  53           HG1      THR  53  58.436 -10.928   4.023
  408   1HG2  THR  53          HG23      THR  53  56.997 -11.370   1.798
  409   2HG2  THR  53          HG22      THR  53  56.674 -11.855   3.463
  410   3HG2  THR  53          HG21      THR  53  55.452 -10.971   2.549
  411    HA   PRO  54           HA       PRO  54  55.321  -5.141   2.336
  412   1HB   PRO  54           HB2      PRO  54  52.854  -5.577   3.433
  413   2HB   PRO  54           HB1      PRO  54  53.184  -5.754   1.698
  414   1HG   PRO  54           HG2      PRO  54  52.927  -7.841   3.800
  415   2HG   PRO  54           HG1      PRO  54  52.401  -7.868   2.110
  416   1HD   PRO  54           HD2      PRO  54  54.659  -9.116   3.031
  417   2HD   PRO  54           HD1      PRO  54  54.437  -8.572   1.354
  418    H    GLU  55           HN       GLU  55  54.322  -7.338   4.996
  419    HA   GLU  55           HA       GLU  55  54.454  -5.419   7.089
  420   1HB   GLU  55           HB2      GLU  55  53.401  -7.683   7.146
  421   2HB   GLU  55           HB1      GLU  55  55.011  -8.403   7.160
  422   1HG   GLU  55           HG2      GLU  55  54.722  -8.311   9.428
  423   2HG   GLU  55           HG1      GLU  55  55.271  -6.649   9.207
  424    H    GLU  56           HN       GLU  56  56.995  -7.225   5.463
  425    HA   GLU  56           HA       GLU  56  59.015  -6.819   7.520
  426   1HB   GLU  56           HB2      GLU  56  58.910  -7.711   4.645
  427   2HB   GLU  56           HB1      GLU  56  60.466  -7.445   5.431
  428   1HG   GLU  56           HG2      GLU  56  59.150  -8.904   7.338
  429   2HG   GLU  56           HG1      GLU  56  58.489  -9.596   5.857
  430    H    LEU  57           HN       LEU  57  57.901  -5.015   4.697
  431    HA   LEU  57           HA       LEU  57  59.963  -3.289   4.075
  432   1HB   LEU  57           HB2      LEU  57  57.030  -2.699   4.590
  433   2HB   LEU  57           HB1      LEU  57  58.115  -1.602   3.734
  434    HG   LEU  57           HG       LEU  57  57.424  -4.439   2.917
  435   1HD1  LEU  57          HD12      LEU  57  55.985  -2.118   2.529
  436   2HD1  LEU  57          HD11      LEU  57  56.962  -2.204   1.063
  437   3HD1  LEU  57          HD13      LEU  57  55.899  -3.544   1.495
  438   1HD2  LEU  57          HD23      LEU  57  59.326  -2.387   1.751
  439   2HD2  LEU  57          HD22      LEU  57  59.720  -4.010   2.320
  440   3HD2  LEU  57          HD21      LEU  57  58.759  -3.797   0.856
  441    H    GLN  58           HN       GLN  58  57.528  -1.859   6.192
  442    HA   GLN  58           HA       GLN  58  59.061   0.039   7.476
  443   1HB   GLN  58           HB2      GLN  58  56.547  -0.793   7.668
  444   2HB   GLN  58           HB1      GLN  58  57.162  -1.626   9.095
  445   1HG   GLN  58           HG2      GLN  58  57.322   1.349   8.537
  446   2HG   GLN  58           HG1      GLN  58  56.325   0.559   9.757
  447   1HE2  GLN  58          HE22      GLN  58  59.735   1.781  11.086
  448   2HE2  GLN  58          HE21      GLN  58  58.686   2.531   9.983
  449    H    GLU  59           HN       GLU  59  58.586  -3.306   8.673
  450    HA   GLU  59           HA       GLU  59  60.228  -3.210  10.939
  451   1HB   GLU  59           HB2      GLU  59  58.928  -5.124   9.272
  452   2HB   GLU  59           HB1      GLU  59  60.565  -5.711   9.571
  453   1HG   GLU  59           HG2      GLU  59  60.118  -5.106  12.048
  454   2HG   GLU  59           HG1      GLU  59  58.417  -5.049  11.581
  455    H    MET  60           HN       MET  60  61.242  -4.263   7.651
  456    HA   MET  60           HA       MET  60  64.019  -4.528   8.263
  457   1HB   MET  60           HB2      MET  60  62.231  -4.672   6.027
  458   2HB   MET  60           HB1      MET  60  63.632  -3.708   5.555
  459   1HG   MET  60           HG2      MET  60  64.031  -6.104   5.123
  460   2HG   MET  60           HG1      MET  60  65.134  -5.494   6.356
  461   1HE   MET  60           HE3      MET  60  65.839  -6.980   7.749
  462   2HE   MET  60           HE2      MET  60  65.007  -8.289   8.584
  463   3HE   MET  60           HE1      MET  60  65.334  -8.422   6.859
  464    H    ILE  61           HN       ILE  61  62.303  -1.824   6.643
  465    HA   ILE  61           HA       ILE  61  64.505  -0.050   6.443
  466    HB   ILE  61           HB       ILE  61  61.515   0.296   6.749
  467   1HG1  ILE  61          HG12      ILE  61  63.109   1.009   4.320
  468   2HG1  ILE  61          HG11      ILE  61  62.871  -0.703   4.676
  469   1HG2  ILE  61          HG22      ILE  61  63.594   2.302   6.996
  470   2HG2  ILE  61          HG21      ILE  61  62.592   2.614   5.579
  471   3HG2  ILE  61          HG23      ILE  61  61.848   2.483   7.172
  472   1HD1  ILE  61          HD12      ILE  61  60.411   0.828   5.007
  473   2HD1  ILE  61          HD11      ILE  61  61.058   0.965   3.371
  474   3HD1  ILE  61          HD13      ILE  61  60.704  -0.624   4.049
  475    H    ASP  62           HN       ASP  62  62.199  -0.565   9.113
  476    HA   ASP  62           HA       ASP  62  63.234   1.577  10.774
  477   1HB   ASP  62           HB2      ASP  62  60.953   0.431  10.812
  478   2HB   ASP  62           HB1      ASP  62  61.747  -0.926  11.609
  479    H    GLU  63           HN       GLU  63  64.328  -1.611  10.040
  480    HA   GLU  63           HA       GLU  63  65.811  -1.973  12.563
  481   1HB   GLU  63           HB2      GLU  63  65.061  -3.487  10.152
  482   2HB   GLU  63           HB1      GLU  63  66.678  -3.863  10.749
  483   1HG   GLU  63           HG2      GLU  63  65.835  -4.438  12.922
  484   2HG   GLU  63           HG1      GLU  63  64.236  -3.798  12.538
  485    H    VAL  64           HN       VAL  64  66.367  -0.639   9.388
  486    HA   VAL  64           HA       VAL  64  69.321  -0.608   9.879
  487    HB   VAL  64           HB       VAL  64  68.251  -1.611   7.783
  488   1HG1  VAL  64          HG11      VAL  64  66.921   0.871   7.797
  489   2HG1  VAL  64          HG13      VAL  64  68.044   0.948   6.441
  490   3HG1  VAL  64          HG12      VAL  64  66.860  -0.356   6.534
  491   1HG2  VAL  64          HG22      VAL  64  70.418   0.416   7.933
  492   2HG2  VAL  64          HG21      VAL  64  70.479  -1.256   7.374
  493   3HG2  VAL  64          HG23      VAL  64  69.853   0.008   6.314
  494    H    ASP  65           HN       ASP  65  66.491   1.400   9.691
  495    HA   ASP  65           HA       ASP  65  67.641   3.901   8.952
  496   1HB   ASP  65           HB2      ASP  65  65.189   2.817   9.903
  497   2HB   ASP  65           HB1      ASP  65  65.584   4.183  10.946
  498    H    GLU  66           HN       GLU  66  69.513   4.580   9.988
  499    HA   GLU  66           HA       GLU  66  69.958   4.142  12.849
  500   1HB   GLU  66           HB2      GLU  66  72.019   5.504  12.301
  501   2HB   GLU  66           HB1      GLU  66  71.800   4.086  11.274
  502   1HG   GLU  66           HG2      GLU  66  71.483   5.341   9.412
  503   2HG   GLU  66           HG1      GLU  66  70.447   6.490  10.259
  504    H    ASP  67           HN       ASP  67  68.214   6.427  11.051
  505    HA   ASP  67           HA       ASP  67  68.527   8.501  13.196
  506   1HB   ASP  67           HB2      ASP  67  67.813  10.068  11.424
  507   2HB   ASP  67           HB1      ASP  67  69.212   9.132  10.898
  508    H    GLY  68           HN       GLY  68  66.326   6.336  11.596
  509   1HA   GLY  68           HA2      GLY  68  64.097   5.801  12.122
  510   2HA   GLY  68           HA1      GLY  68  64.245   6.847  13.536
  511    H    SER  69           HN       SER  69  65.118   8.375  10.612
  512    HA   SER  69           HA       SER  69  63.171  10.421  10.784
  513   1HB   SER  69           HB2      SER  69  63.884  10.812   8.387
  514   2HB   SER  69           HB1      SER  69  65.222  10.640   9.517
  515    HG   SER  69           HG       SER  69  64.604   8.215   8.700
  516    H    GLY  70           HN       GLY  70  62.953   7.210   9.412
  517   1HA   GLY  70           HA2      GLY  70  60.793   6.163   9.018
  518   2HA   GLY  70           HA1      GLY  70  60.111   7.763   8.718
  519    H    THR  71           HN       THR  71  62.470   8.499   7.024
  520    HA   THR  71           HA       THR  71  61.546   7.114   4.543
  521    HB   THR  71           HB       THR  71  62.569   9.127   3.468
  522    HG1  THR  71           HG1      THR  71  63.957   9.271   5.564
  523   1HG2  THR  71          HG23      THR  71  60.182   9.008   4.472
  524   2HG2  THR  71          HG22      THR  71  60.826  10.046   5.745
  525   3HG2  THR  71          HG21      THR  71  60.833  10.597   4.070
  526    H    VAL  72           HN       VAL  72  63.146   6.306   3.046
  527    HA   VAL  72           HA       VAL  72  65.723   5.571   4.363
  528    HB   VAL  72           HB       VAL  72  64.570   4.468   1.796
  529   1HG1  VAL  72          HG13      VAL  72  66.395   3.416   3.971
  530   2HG1  VAL  72          HG12      VAL  72  65.749   2.414   2.672
  531   3HG1  VAL  72          HG11      VAL  72  66.821   3.764   2.296
  532   1HG2  VAL  72          HG23      VAL  72  62.819   4.427   3.592
  533   2HG2  VAL  72          HG22      VAL  72  63.347   2.814   3.112
  534   3HG2  VAL  72          HG21      VAL  72  63.939   3.526   4.613
  535    H    ASP  73           HN       ASP  73  67.465   6.795   3.772
  536    HA   ASP  73           HA       ASP  73  67.408   8.283   1.196
  537   1HB   ASP  73           HB2      ASP  73  67.966   9.197   3.571
  538   2HB   ASP  73           HB1      ASP  73  69.523   8.398   3.346
  539    H    PHE  74           HN       PHE  74  69.559   8.313  -0.024
  540    HA   PHE  74           HA       PHE  74  70.320   5.735  -0.900
  541   1HB   PHE  74           HB2      PHE  74  70.648   8.008  -1.990
  542   2HB   PHE  74           HB1      PHE  74  72.025   8.242  -0.913
  543    HD1  PHE  74           HD2      PHE  74  73.835   6.370  -0.896
  544    HD2  PHE  74           HD1      PHE  74  70.930   6.869  -4.022
  545    HE1  PHE  74           HE2      PHE  74  75.263   5.049  -2.435
  546    HE2  PHE  74           HE1      PHE  74  72.357   5.548  -5.560
  547    HZ   PHE  74           HZ       PHE  74  74.524   4.639  -4.767
  548    H    ASP  75           HN       ASP  75  71.381   7.566   1.875
  549    HA   ASP  75           HA       ASP  75  73.885   6.148   2.302
  550   1HB   ASP  75           HB2      ASP  75  72.743   8.444   3.192
  551   2HB   ASP  75           HB1      ASP  75  72.398   7.383   4.561
  552    H    GLU  76           HN       GLU  76  70.659   5.975   3.862
  553    HA   GLU  76           HA       GLU  76  71.401   3.514   5.300
  554   1HB   GLU  76           HB2      GLU  76  68.715   4.893   5.026
  555   2HB   GLU  76           HB1      GLU  76  69.236   3.818   6.325
  556   1HG   GLU  76           HG2      GLU  76  70.855   5.424   7.105
  557   2HG   GLU  76           HG1      GLU  76  70.591   6.453   5.697
  558    H    PHE  77           HN       PHE  77  69.323   4.477   2.580
  559    HA   PHE  77           HA       PHE  77  67.832   2.212   2.050
  560   1HB   PHE  77           HB2      PHE  77  67.670   4.124   0.642
  561   2HB   PHE  77           HB1      PHE  77  69.394   4.090   0.269
  562    HD1  PHE  77           HD2      PHE  77  66.385   1.852   0.031
  563    HD2  PHE  77           HD1      PHE  77  70.043   3.192  -1.780
  564    HE1  PHE  77           HE2      PHE  77  65.930   0.424  -1.944
  565    HE2  PHE  77           HE1      PHE  77  69.588   1.764  -3.754
  566    HZ   PHE  77           HZ       PHE  77  67.531   0.379  -3.837
  567    H    LEU  78           HN       LEU  78  71.273   2.687   1.181
  568    HA   LEU  78           HA       LEU  78  71.588   0.104  -0.064
  569   1HB   LEU  78           HB2      LEU  78  73.225   2.407   0.818
  570   2HB   LEU  78           HB1      LEU  78  74.087   0.868   0.739
  571    HG   LEU  78           HG       LEU  78  72.320   1.358  -1.563
  572   1HD1  LEU  78          HD11      LEU  78  74.203   3.421  -0.669
  573   2HD1  LEU  78          HD13      LEU  78  74.526   2.856  -2.308
  574   3HD1  LEU  78          HD12      LEU  78  72.940   3.510  -1.896
  575   1HD2  LEU  78          HD22      LEU  78  75.068   0.327  -0.965
  576   2HD2  LEU  78          HD21      LEU  78  73.759  -0.436  -1.867
  577   3HD2  LEU  78          HD23      LEU  78  74.711   0.849  -2.610
  578    H    VAL  79           HN       VAL  79  72.407   1.316   3.212
  579    HA   VAL  79           HA       VAL  79  73.629  -0.940   4.318
  580    HB   VAL  79           HB       VAL  79  71.534   0.901   5.527
  581   1HG1  VAL  79          HG13      VAL  79  72.252  -1.301   6.748
  582   2HG1  VAL  79          HG12      VAL  79  73.769  -0.446   7.027
  583   3HG1  VAL  79          HG11      VAL  79  72.257   0.215   7.649
  584   1HG2  VAL  79          HG21      VAL  79  74.123   1.421   4.492
  585   2HG2  VAL  79          HG23      VAL  79  73.112   2.508   5.443
  586   3HG2  VAL  79          HG22      VAL  79  74.271   1.454   6.249
  587    H    MET  80           HN       MET  80  70.270  -0.524   3.390
  588    HA   MET  80           HA       MET  80  69.301  -2.863   4.863
  589   1HB   MET  80           HB2      MET  80  68.244  -0.611   3.575
  590   2HB   MET  80           HB1      MET  80  67.724  -1.967   2.575
  591   1HG   MET  80           HG2      MET  80  67.473  -2.470   5.461
  592   2HG   MET  80           HG1      MET  80  66.464  -1.144   4.883
  593   1HE   MET  80           HE3      MET  80  64.846  -1.131   3.292
  594   2HE   MET  80           HE2      MET  80  65.550  -1.928   1.888
  595   3HE   MET  80           HE1      MET  80  64.007  -2.487   2.529
  596    H    MET  81           HN       MET  81  69.963  -2.101   1.425
  597    HA   MET  81           HA       MET  81  69.380  -4.568   0.233
  598   1HB   MET  81           HB2      MET  81  71.526  -2.482  -0.207
  599   2HB   MET  81           HB1      MET  81  71.341  -3.854  -1.298
  600   1HG   MET  81           HG2      MET  81  68.877  -3.177  -1.491
  601   2HG   MET  81           HG1      MET  81  69.341  -1.667  -0.708
  602   1HE   MET  81           HE2      MET  81  68.117  -2.798  -3.269
  603   2HE   MET  81           HE1      MET  81  68.343  -1.322  -4.204
  604   3HE   MET  81           HE3      MET  81  69.094  -2.833  -4.734
  605    H    VAL  82           HN       VAL  82  72.556  -3.541   1.517
  606    HA   VAL  82           HA       VAL  82  73.898  -6.029   1.262
  607    HB   VAL  82           HB       VAL  82  75.117  -4.021   1.682
  608   1HG1  VAL  82          HG11      VAL  82  72.899  -3.467   3.410
  609   2HG1  VAL  82          HG13      VAL  82  74.389  -3.294   4.337
  610   3HG1  VAL  82          HG12      VAL  82  74.157  -2.363   2.858
  611   1HG2  VAL  82          HG23      VAL  82  75.263  -6.201   3.568
  612   2HG2  VAL  82          HG22      VAL  82  76.567  -5.190   2.947
  613   3HG2  VAL  82          HG21      VAL  82  75.666  -4.688   4.378
  614    H    ARG  83           HN       ARG  83  71.668  -4.851   3.732
  615    HA   ARG  83           HA       ARG  83  72.244  -6.858   5.727
  616   1HB   ARG  83           HB2      ARG  83  70.194  -4.790   5.122
  617   2HB   ARG  83           HB1      ARG  83  69.687  -6.085   6.208
  618   1HG   ARG  83           HG2      ARG  83  71.505  -5.631   7.721
  619   2HG   ARG  83           HG1      ARG  83  72.242  -4.507   6.580
  620   1HD   ARG  83           HD2      ARG  83  71.052  -3.222   8.292
  621   2HD   ARG  83           HD1      ARG  83  70.162  -3.077   6.764
  622    HE   ARG  83           HE       ARG  83  68.395  -4.216   7.824
  623   1HH1  ARG  83          HH11      ARG  83  70.933  -4.199   9.998
  624   2HH1  ARG  83          HH12      ARG  83  70.483  -5.658  10.817
  625   1HH2  ARG  83          HH21      ARG  83  68.012  -6.490   8.530
  626   2HH2  ARG  83          HH22      ARG  83  68.831  -6.957   9.983
  627    H    CYS  84           HN       CYS  84  70.190  -6.774   2.873
  628    HA   CYS  84           HA       CYS  84  68.681  -9.180   3.583
  629   1HB   CYS  84           HB2      CYS  84  68.134  -7.102   2.053
  630   2HB   CYS  84           HB1      CYS  84  68.957  -8.050   0.813
  631    HG   CYS  84           HG       CYS  84  66.966  -9.842   2.129
  632    H    MET  85           HN       MET  85  71.285  -8.408   1.245
  633    HA   MET  85           HA       MET  85  71.552 -11.188   0.387
  634   1HB   MET  85           HB2      MET  85  73.485 -10.220  -0.858
  635   2HB   MET  85           HB1      MET  85  72.014  -9.271  -1.074
  636   1HG   MET  85           HG2      MET  85  72.750  -7.582   0.419
  637   2HG   MET  85           HG1      MET  85  74.012  -8.613   1.090
  638   1HE   MET  85           HE1      MET  85  73.349  -5.751  -0.592
  639   2HE   MET  85           HE3      MET  85  74.367  -5.549  -2.024
  640   3HE   MET  85           HE2      MET  85  72.886  -6.498  -2.119
  641    H    LYS  86           HN       LYS  86  72.776  -9.300   3.008
  642    HA   LYS  86           HA       LYS  86  74.442  -9.740   4.632
  643   1HB   LYS  86           HB2      LYS  86  73.209 -12.347   3.795
  644   2HB   LYS  86           HB1      LYS  86  74.535 -12.364   4.959
  645   1HG   LYS  86           HG2      LYS  86  72.860 -10.307   5.846
  646   2HG   LYS  86           HG1      LYS  86  71.757 -11.593   5.352
  647   1HD   LYS  86           HD2      LYS  86  72.215 -12.240   7.537
  648   2HD   LYS  86           HD1      LYS  86  73.463 -13.129   6.665
  649   1HE   LYS  86           HE2      LYS  86  74.971 -12.086   8.008
  650   2HE   LYS  86           HE1      LYS  86  74.589 -10.595   7.125
  651   1HZ   LYS  86           HZ2      LYS  86  73.068 -11.647   9.453
  652   2HZ   LYS  86           HZ1      LYS  86  74.171 -10.356   9.513
  653   3HZ   LYS  86           HZ3      LYS  86  72.740 -10.206   8.615
  654    H    ASP  87           HN       ASP  87  75.506  -9.281   1.995
  655    HA   ASP  87           HA       ASP  87  77.552  -9.535   0.839
  656   1HB   ASP  87           HB2      ASP  87  77.940  -9.966   3.617
  657   2HB   ASP  87           HB1      ASP  87  78.894 -11.192   2.781
  658    H    ASP  88           HN       ASP  88  77.802 -10.930  -0.855
  659    HA   ASP  88           HA       ASP  88  77.103 -13.809  -0.458
  660   1HB   ASP  88           HB2      ASP  88  76.264 -11.947  -2.267
  661   2HB   ASP  88           HB1      ASP  88  77.599 -12.684  -3.156
  662    H    SER  89           HN       SER  89  78.589 -14.273  -3.082
  663    HA   SER  89           HA       SER  89  81.421 -13.845  -2.412
  664   1HB   SER  89           HB2      SER  89  81.670 -16.456  -2.437
  665   2HB   SER  89           HB1      SER  89  81.117 -15.669  -0.962
  666    HG   SER  89           HG       SER  89  79.257 -16.454  -2.914
   
  No H/Q in entry =         666
  Start of MODEL    9
    1   1H    MET   1           HT3      MET   1  82.276  -2.687  17.081
    2   2H    MET   1           HT2      MET   1  81.468  -2.886  18.561
    3   3H    MET   1           HT1      MET   1  83.140  -3.166  18.458
    4    HA   MET   1           HA       MET   1  82.838  -5.118  17.155
    5   1HB   MET   1           HB2      MET   1  82.319  -4.901  19.727
    6   2HB   MET   1           HB1      MET   1  80.659  -5.230  19.225
    7   1HG   MET   1           HG2      MET   1  81.862  -7.176  17.845
    8   2HG   MET   1           HG1      MET   1  83.057  -7.007  19.131
    9   1HE   MET   1           HE3      MET   1  82.074  -6.107  21.282
   10   2HE   MET   1           HE2      MET   1  80.624  -6.694  22.093
   11   3HE   MET   1           HE1      MET   1  82.084  -7.681  22.089
   12    H    ASP   2           HN       ASP   2  80.235  -2.900  17.029
   13    HA   ASP   2           HA       ASP   2  78.687  -4.763  15.255
   14   1HB   ASP   2           HB2      ASP   2  77.800  -2.531  17.112
   15   2HB   ASP   2           HB1      ASP   2  76.716  -3.403  16.027
   16    H    ASP   3           HN       ASP   3  80.290  -3.771  13.608
   17    HA   ASP   3           HA       ASP   3  79.000  -1.385  12.385
   18   1HB   ASP   3           HB2      ASP   3  81.133  -1.068  14.013
   19   2HB   ASP   3           HB1      ASP   3  81.976  -1.413  12.504
   20    H    ILE   4           HN       ILE   4  79.605  -4.423  11.907
   21    HA   ILE   4           HA       ILE   4  81.365  -4.645   9.655
   22    HB   ILE   4           HB       ILE   4  80.209  -6.815   9.388
   23   1HG1  ILE   4          HG12      ILE   4  78.259  -5.639  11.398
   24   2HG1  ILE   4          HG11      ILE   4  77.905  -6.011   9.710
   25   1HG2  ILE   4          HG23      ILE   4  81.205  -5.765  11.948
   26   2HG2  ILE   4          HG22      ILE   4  80.179  -7.189  12.122
   27   3HG2  ILE   4          HG21      ILE   4  81.620  -7.259  11.108
   28   1HD1  ILE   4          HD12      ILE   4  78.997  -8.376  10.714
   29   2HD1  ILE   4          HD11      ILE   4  77.962  -7.792  12.016
   30   3HD1  ILE   4          HD13      ILE   4  77.288  -8.065  10.409
   31    H    TYR   5           HN       TYR   5  78.184  -3.327   9.945
   32    HA   TYR   5           HA       TYR   5  77.361  -3.806   7.181
   33   1HB   TYR   5           HB2      TYR   5  76.401  -2.111   9.495
   34   2HB   TYR   5           HB1      TYR   5  75.597  -2.086   7.925
   35    HD1  TYR   5           HD1      TYR   5  76.683  -4.354  10.682
   36    HD2  TYR   5           HD2      TYR   5  74.098  -3.807   7.295
   37    HE1  TYR   5           HE1      TYR   5  75.481  -6.445  11.261
   38    HE2  TYR   5           HE2      TYR   5  72.897  -5.896   7.874
   39    HH   TYR   5           HH       TYR   5  72.921  -7.732   9.166
   40    H    LYS   6           HN       LYS   6  78.950  -1.187   8.967
   41    HA   LYS   6           HA       LYS   6  78.709   0.889   7.036
   42   1HB   LYS   6           HB2      LYS   6  80.485   0.144   9.306
   43   2HB   LYS   6           HB1      LYS   6  81.105   1.369   8.199
   44   1HG   LYS   6           HG2      LYS   6  78.886   2.576   8.465
   45   2HG   LYS   6           HG1      LYS   6  78.518   1.449   9.771
   46   1HD   LYS   6           HD2      LYS   6  79.871   2.537  11.214
   47   2HD   LYS   6           HD1      LYS   6  81.187   2.597  10.042
   48   1HE   LYS   6           HE2      LYS   6  79.116   4.389   9.167
   49   2HE   LYS   6           HE1      LYS   6  79.516   4.750  10.858
   50   1HZ   LYS   6           HZ1      LYS   6  81.652   4.176   8.909
   51   2HZ   LYS   6           HZ3      LYS   6  80.996   5.737   9.008
   52   3HZ   LYS   6           HZ2      LYS   6  81.742   5.042  10.367
   53    H    ALA   7           HN       ALA   7  81.097  -1.740   7.348
   54    HA   ALA   7           HA       ALA   7  82.781  -0.868   5.168
   55   1HB   ALA   7           HB1      ALA   7  83.354  -2.441   7.056
   56   2HB   ALA   7           HB3      ALA   7  82.325  -3.652   6.290
   57   3HB   ALA   7           HB2      ALA   7  83.770  -3.072   5.462
   58    H    ALA   8           HN       ALA   8  80.231  -3.376   5.399
   59    HA   ALA   8           HA       ALA   8  80.227  -4.367   2.792
   60   1HB   ALA   8           HB3      ALA   8  78.503  -4.237   5.070
   61   2HB   ALA   8           HB2      ALA   8  77.527  -3.906   3.639
   62   3HB   ALA   8           HB1      ALA   8  78.458  -5.401   3.745
   63    H    VAL   9           HN       VAL   9  78.552  -1.429   3.968
   64    HA   VAL   9           HA       VAL   9  77.427  -0.682   1.432
   65    HB   VAL   9           HB       VAL   9  78.192   0.889   3.915
   66   1HG1  VAL   9          HG13      VAL   9  76.865   1.660   1.361
   67   2HG1  VAL   9          HG12      VAL   9  76.155   2.288   2.849
   68   3HG1  VAL   9          HG11      VAL   9  77.841   2.634   2.460
   69   1HG2  VAL   9          HG22      VAL   9  76.352  -1.113   3.677
   70   2HG2  VAL   9          HG21      VAL   9  76.192   0.234   4.804
   71   3HG2  VAL   9          HG23      VAL   9  75.370   0.287   3.244
   72    H    GLU  10           HN       GLU  10  80.500   0.102   3.043
   73    HA   GLU  10           HA       GLU  10  81.348   2.030   1.035
   74   1HB   GLU  10           HB2      GLU  10  82.209   0.897   3.558
   75   2HB   GLU  10           HB1      GLU  10  83.562   0.969   2.429
   76   1HG   GLU  10           HG2      GLU  10  83.028   3.358   1.981
   77   2HG   GLU  10           HG1      GLU  10  81.741   3.273   3.185
   78    H    GLN  11           HN       GLN  11  81.464  -1.442   1.325
   79    HA   GLN  11           HA       GLN  11  83.678  -1.833  -0.544
   80   1HB   GLN  11           HB2      GLN  11  81.967  -3.344   1.233
   81   2HB   GLN  11           HB1      GLN  11  82.061  -4.144  -0.336
   82   1HG   GLN  11           HG2      GLN  11  84.076  -4.944   0.272
   83   2HG   GLN  11           HG1      GLN  11  84.683  -3.289   0.223
   84   1HE2  GLN  11          HE22      GLN  11  85.427  -3.690   3.663
   85   2HE2  GLN  11          HE21      GLN  11  86.050  -3.455   2.100
   86    H    LEU  12           HN       LEU  12  80.527  -0.785  -0.963
   87    HA   LEU  12           HA       LEU  12  79.735  -2.277  -3.314
   88   1HB   LEU  12           HB2      LEU  12  78.970   0.406  -2.127
   89   2HB   LEU  12           HB1      LEU  12  78.128  -0.321  -3.495
   90    HG   LEU  12           HG       LEU  12  78.445  -1.562  -0.746
   91   1HD1  LEU  12          HD12      LEU  12  76.028  -0.434  -2.193
   92   2HD1  LEU  12          HD11      LEU  12  75.988  -1.255  -0.633
   93   3HD1  LEU  12          HD13      LEU  12  76.825   0.289  -0.796
   94   1HD2  LEU  12          HD22      LEU  12  77.143  -2.527  -3.306
   95   2HD2  LEU  12          HD21      LEU  12  78.423  -3.319  -2.387
   96   3HD2  LEU  12          HD23      LEU  12  76.789  -3.230  -1.727
   97    H    THR  13           HN       THR  13  81.060  -2.197  -5.114
   98    HA   THR  13           HA       THR  13  82.965  -0.331  -5.867
   99    HB   THR  13           HB       THR  13  82.488  -1.139  -8.178
  100    HG1  THR  13           HG1      THR  13  80.281  -2.446  -6.984
  101   1HG2  THR  13          HG22      THR  13  83.525  -2.552  -6.204
  102   2HG2  THR  13          HG21      THR  13  82.042  -3.492  -6.378
  103   3HG2  THR  13          HG23      THR  13  83.144  -3.324  -7.744
  104    H    GLU  14           HN       GLU  14  82.948   1.667  -6.960
  105    HA   GLU  14           HA       GLU  14  80.851   3.499  -6.567
  106   1HB   GLU  14           HB2      GLU  14  83.384   3.610  -7.432
  107   2HB   GLU  14           HB1      GLU  14  82.578   3.715  -8.998
  108   1HG   GLU  14           HG2      GLU  14  81.175   5.436  -7.223
  109   2HG   GLU  14           HG1      GLU  14  82.896   5.768  -7.016
  110    H    GLU  15           HN       GLU  15  81.469   1.365  -9.351
  111    HA   GLU  15           HA       GLU  15  79.420   2.406 -11.069
  112   1HB   GLU  15           HB2      GLU  15  79.802   0.319 -12.279
  113   2HB   GLU  15           HB1      GLU  15  81.348   0.918 -11.678
  114   1HG   GLU  15           HG2      GLU  15  80.334  -0.642  -9.585
  115   2HG   GLU  15           HG1      GLU  15  79.974  -1.564 -11.045
  116    H    GLN  16           HN       GLN  16  79.287   0.444  -8.223
  117    HA   GLN  16           HA       GLN  16  76.683  -0.775  -8.840
  118   1HB   GLN  16           HB2      GLN  16  78.420  -1.904  -7.501
  119   2HB   GLN  16           HB1      GLN  16  78.358  -0.600  -6.314
  120   1HG   GLN  16           HG2      GLN  16  76.345  -1.293  -5.448
  121   2HG   GLN  16           HG1      GLN  16  75.776  -1.917  -6.997
  122   1HE2  GLN  16          HE22      GLN  16  76.521  -5.186  -5.937
  123   2HE2  GLN  16          HE21      GLN  16  75.415  -4.127  -6.666
  124    H    LYS  17           HN       LYS  17  77.586   1.062  -5.920
  125    HA   LYS  17           HA       LYS  17  75.085   1.985  -5.172
  126   1HB   LYS  17           HB2      LYS  17  76.373   3.909  -4.183
  127   2HB   LYS  17           HB1      LYS  17  77.123   2.340  -3.884
  128   1HG   LYS  17           HG2      LYS  17  78.394   2.859  -6.137
  129   2HG   LYS  17           HG1      LYS  17  77.987   4.529  -5.744
  130   1HD   LYS  17           HD2      LYS  17  78.962   3.171  -3.387
  131   2HD   LYS  17           HD1      LYS  17  80.126   3.009  -4.702
  132   1HE   LYS  17           HE2      LYS  17  80.604   5.078  -3.478
  133   2HE   LYS  17           HE1      LYS  17  79.942   5.506  -5.069
  134   1HZ   LYS  17           HZ1      LYS  17  77.699   5.194  -3.716
  135   2HZ   LYS  17           HZ3      LYS  17  78.697   5.683  -2.435
  136   3HZ   LYS  17           HZ2      LYS  17  78.508   6.686  -3.792
  137    H    ASN  18           HN       ASN  18  77.161   3.279  -7.739
  138    HA   ASN  18           HA       ASN  18  75.757   5.697  -8.279
  139   1HB   ASN  18           HB2      ASN  18  77.476   3.764  -9.815
  140   2HB   ASN  18           HB1      ASN  18  76.737   5.128 -10.655
  141   1HD2  ASN  18          HD22      ASN  18  79.705   6.837  -9.634
  142   2HD2  ASN  18          HD21      ASN  18  78.943   6.060 -10.936
  143    H    GLU  19           HN       GLU  19  75.195   2.361  -9.386
  144    HA   GLU  19           HA       GLU  19  73.097   2.996 -11.263
  145   1HB   GLU  19           HB2      GLU  19  74.590   0.789 -10.419
  146   2HB   GLU  19           HB1      GLU  19  72.936   0.388  -9.956
  147   1HG   GLU  19           HG2      GLU  19  72.786  -0.316 -12.124
  148   2HG   GLU  19           HG1      GLU  19  72.505   1.396 -12.441
  149    H    PHE  20           HN       PHE  20  73.034   1.813  -7.880
  150    HA   PHE  20           HA       PHE  20  70.198   1.781  -7.566
  151   1HB   PHE  20           HB2      PHE  20  72.458   2.279  -5.597
  152   2HB   PHE  20           HB1      PHE  20  70.810   1.846  -5.143
  153    HD1  PHE  20           HD2      PHE  20  70.053  -0.152  -7.127
  154    HD2  PHE  20           HD1      PHE  20  73.809   0.418  -5.122
  155    HE1  PHE  20           HE2      PHE  20  70.590  -2.550  -7.452
  156    HE2  PHE  20           HE1      PHE  20  74.346  -1.980  -5.448
  157    HZ   PHE  20           HZ       PHE  20  72.737  -3.465  -6.613
  158    H    LYS  21           HN       LYS  21  72.555   4.392  -7.401
  159    HA   LYS  21           HA       LYS  21  71.006   6.353  -6.024
  160   1HB   LYS  21           HB2      LYS  21  73.492   6.262  -6.802
  161   2HB   LYS  21           HB1      LYS  21  72.881   6.924  -8.320
  162   1HG   LYS  21           HG2      LYS  21  72.268   8.941  -7.355
  163   2HG   LYS  21           HG1      LYS  21  72.046   8.228  -5.757
  164   1HD   LYS  21           HD2      LYS  21  74.079   9.086  -5.258
  165   2HD   LYS  21           HD1      LYS  21  74.735   7.792  -6.262
  166   1HE   LYS  21           HE2      LYS  21  74.213   9.494  -8.236
  167   2HE   LYS  21           HE1      LYS  21  74.348  10.688  -6.930
  168   1HZ   LYS  21           HZ2      LYS  21  76.321   8.518  -7.105
  169   2HZ   LYS  21           HZ1      LYS  21  76.484   9.856  -8.140
  170   3HZ   LYS  21           HZ3      LYS  21  76.495  10.079  -6.459
  171    H    ALA  22           HN       ALA  22  71.288   5.640  -9.520
  172    HA   ALA  22           HA       ALA  22  69.557   7.665 -10.492
  173   1HB   ALA  22           HB1      ALA  22  70.925   5.336 -11.403
  174   2HB   ALA  22           HB3      ALA  22  69.256   5.208 -11.960
  175   3HB   ALA  22           HB2      ALA  22  70.223   6.621 -12.385
  176    H    ALA  23           HN       ALA  23  68.846   4.534  -9.019
  177    HA   ALA  23           HA       ALA  23  65.997   4.598  -9.680
  178   1HB   ALA  23           HB3      ALA  23  67.658   2.991  -7.707
  179   2HB   ALA  23           HB2      ALA  23  65.990   2.626  -8.149
  180   3HB   ALA  23           HB1      ALA  23  67.268   2.513  -9.359
  181    H    PHE  24           HN       PHE  24  68.048   5.522  -6.956
  182    HA   PHE  24           HA       PHE  24  66.150   5.892  -4.913
  183   1HB   PHE  24           HB2      PHE  24  68.473   6.136  -4.464
  184   2HB   PHE  24           HB1      PHE  24  68.679   7.316  -5.757
  185    HD1  PHE  24           HD2      PHE  24  65.934   7.230  -3.244
  186    HD2  PHE  24           HD1      PHE  24  69.533   9.177  -4.550
  187    HE1  PHE  24           HE2      PHE  24  65.526   9.069  -1.631
  188    HE2  PHE  24           HE1      PHE  24  69.125  11.015  -2.938
  189    HZ   PHE  24           HZ       PHE  24  67.122  10.961  -1.478
  190    H    ASP  25           HN       ASP  25  67.080   8.126  -7.546
  191    HA   ASP  25           HA       ASP  25  65.281  10.246  -6.727
  192   1HB   ASP  25           HB2      ASP  25  67.140   9.565  -8.916
  193   2HB   ASP  25           HB1      ASP  25  65.805  10.613  -9.402
  194    H    ILE  26           HN       ILE  26  64.649   7.208  -8.078
  195    HA   ILE  26           HA       ILE  26  62.419   8.066  -9.806
  196    HB   ILE  26           HB       ILE  26  63.529   5.395  -8.921
  197   1HG1  ILE  26          HG12      ILE  26  63.814   7.162 -11.353
  198   2HG1  ILE  26          HG11      ILE  26  65.085   6.454 -10.357
  199   1HG2  ILE  26          HG23      ILE  26  61.366   6.062 -10.937
  200   2HG2  ILE  26          HG22      ILE  26  62.104   4.472 -10.745
  201   3HG2  ILE  26          HG21      ILE  26  61.150   5.166  -9.434
  202   1HD1  ILE  26          HD11      ILE  26  63.645   4.251 -11.256
  203   2HD1  ILE  26          HD13      ILE  26  63.690   5.324 -12.654
  204   3HD1  ILE  26          HD12      ILE  26  65.194   4.805 -11.892
  205    H    PHE  27           HN       PHE  27  62.827   6.401  -6.660
  206    HA   PHE  27           HA       PHE  27  59.982   5.964  -6.277
  207   1HB   PHE  27           HB2      PHE  27  62.196   6.094  -4.217
  208   2HB   PHE  27           HB1      PHE  27  60.709   5.148  -4.134
  209    HD1  PHE  27           HD2      PHE  27  60.327   3.505  -6.197
  210    HD2  PHE  27           HD1      PHE  27  64.145   5.025  -4.939
  211    HE1  PHE  27           HE2      PHE  27  61.458   1.619  -7.346
  212    HE2  PHE  27           HE1      PHE  27  65.272   3.138  -6.087
  213    HZ   PHE  27           HZ       PHE  27  63.930   1.437  -7.292
  214    H    VAL  28           HN       VAL  28  62.143   8.643  -5.699
  215    HA   VAL  28           HA       VAL  28  60.281   9.962  -3.820
  216    HB   VAL  28           HB       VAL  28  62.118  11.624  -3.767
  217   1HG1  VAL  28          HG11      VAL  28  62.149   9.099  -2.743
  218   2HG1  VAL  28          HG13      VAL  28  63.641   9.090  -3.683
  219   3HG1  VAL  28          HG12      VAL  28  63.400  10.299  -2.422
  220   1HG2  VAL  28          HG21      VAL  28  62.701  10.424  -6.305
  221   2HG2  VAL  28          HG23      VAL  28  63.452  11.838  -5.566
  222   3HG2  VAL  28          HG22      VAL  28  64.103  10.230  -5.254
  223    H    LEU  29           HN       LEU  29  59.843   9.455  -6.889
  224    HA   LEU  29           HA       LEU  29  59.907  11.804  -8.398
  225   1HB   LEU  29           HB2      LEU  29  58.562   9.266  -8.359
  226   2HB   LEU  29           HB1      LEU  29  57.398  10.513  -8.817
  227    HG   LEU  29           HG       LEU  29  58.614   9.571 -10.782
  228   1HD1  LEU  29          HD12      LEU  29  58.276  12.322 -10.053
  229   2HD1  LEU  29          HD11      LEU  29  59.750  12.173 -11.011
  230   3HD1  LEU  29          HD13      LEU  29  58.215  11.602 -11.661
  231   1HD2  LEU  29          HD21      LEU  29  60.759   9.227  -9.436
  232   2HD2  LEU  29          HD23      LEU  29  60.971   9.908 -11.048
  233   3HD2  LEU  29          HD22      LEU  29  61.048  10.956  -9.631
  234    H    GLY  30           HN       GLY  30  57.523  10.859  -5.927
  235   1HA   GLY  30           HA2      GLY  30  56.464  13.656  -6.035
  236   2HA   GLY  30           HA1      GLY  30  55.427  12.265  -5.718
  237    H    ALA  31           HN       ALA  31  58.677  12.896  -4.423
  238    HA   ALA  31           HA       ALA  31  57.598  12.505  -1.683
  239   1HB   ALA  31           HB1      ALA  31  59.619  11.309  -2.660
  240   2HB   ALA  31           HB3      ALA  31  60.454  12.861  -2.640
  241   3HB   ALA  31           HB2      ALA  31  59.918  12.128  -1.128
  242    H    GLU  32           HN       GLU  32  58.889  14.000  -0.010
  243    HA   GLU  32           HA       GLU  32  58.642  16.822  -1.004
  244   1HB   GLU  32           HB2      GLU  32  58.327  15.742   1.813
  245   2HB   GLU  32           HB1      GLU  32  57.874  17.346   1.232
  246   1HG   GLU  32           HG2      GLU  32  56.658  14.735   0.282
  247   2HG   GLU  32           HG1      GLU  32  55.900  15.862   1.407
  248    H    ASP  33           HN       ASP  33  60.602  14.542   0.849
  249    HA   ASP  33           HA       ASP  33  62.685  16.668   1.211
  250   1HB   ASP  33           HB2      ASP  33  63.477  15.149   3.028
  251   2HB   ASP  33           HB1      ASP  33  61.804  15.654   3.266
  252    H    GLY  34           HN       GLY  34  61.969  14.479  -1.021
  253   1HA   GLY  34           HA2      GLY  34  63.247  13.306  -2.599
  254   2HA   GLY  34           HA1      GLY  34  64.653  14.164  -1.967
  255    H    CYS  35           HN       CYS  35  62.397  11.678  -0.702
  256    HA   CYS  35           HA       CYS  35  64.759   9.945  -0.130
  257   1HB   CYS  35           HB2      CYS  35  62.734  11.085   1.796
  258   2HB   CYS  35           HB1      CYS  35  63.598   9.594   2.170
  259    HG   CYS  35           HG       CYS  35  65.735  11.427   1.437
  260    H    ILE  36           HN       ILE  36  64.149   7.686   0.153
  261    HA   ILE  36           HA       ILE  36  61.678   6.978  -1.313
  262    HB   ILE  36           HB       ILE  36  63.617   5.003  -0.136
  263   1HG1  ILE  36          HG12      ILE  36  64.171   6.876  -2.458
  264   2HG1  ILE  36          HG11      ILE  36  65.148   6.653  -1.007
  265   1HG2  ILE  36          HG22      ILE  36  61.465   4.833  -1.851
  266   2HG2  ILE  36          HG21      ILE  36  62.830   4.869  -2.968
  267   3HG2  ILE  36          HG23      ILE  36  62.746   3.628  -1.716
  268   1HD1  ILE  36          HD13      ILE  36  65.509   4.267  -1.685
  269   2HD1  ILE  36          HD12      ILE  36  64.670   4.614  -3.196
  270   3HD1  ILE  36          HD11      ILE  36  66.190   5.427  -2.825
  271    H    SER  37           HN       SER  37  60.006   7.382   0.224
  272    HA   SER  37           HA       SER  37  60.016   6.717   2.975
  273   1HB   SER  37           HB2      SER  37  58.275   7.751   1.050
  274   2HB   SER  37           HB1      SER  37  57.452   6.309   1.637
  275    HG   SER  37           HG       SER  37  57.255   8.462   2.812
  276    H    THR  38           HN       THR  38  58.937   4.885   4.056
  277    HA   THR  38           HA       THR  38  59.745   2.314   3.062
  278    HB   THR  38           HB       THR  38  58.428   1.536   5.036
  279    HG1  THR  38           HG1      THR  38  57.067   2.865   6.019
  280   1HG2  THR  38          HG22      THR  38  60.524   3.556   5.038
  281   2HG2  THR  38          HG21      THR  38  59.542   3.638   6.501
  282   3HG2  THR  38          HG23      THR  38  60.345   2.130   6.060
  283    H    LYS  39           HN       LYS  39  56.705   4.114   2.916
  284    HA   LYS  39           HA       LYS  39  54.883   2.102   2.182
  285   1HB   LYS  39           HB2      LYS  39  55.252   5.006   1.440
  286   2HB   LYS  39           HB1      LYS  39  53.869   4.085   0.850
  287   1HG   LYS  39           HG2      LYS  39  52.859   4.617   2.800
  288   2HG   LYS  39           HG1      LYS  39  53.951   3.457   3.555
  289   1HD   LYS  39           HD2      LYS  39  55.327   5.092   4.401
  290   2HD   LYS  39           HD1      LYS  39  55.031   6.186   3.049
  291   1HE   LYS  39           HE2      LYS  39  52.730   5.579   4.869
  292   2HE   LYS  39           HE1      LYS  39  53.985   6.693   5.448
  293   1HZ   LYS  39           HZ1      LYS  39  53.796   7.910   3.351
  294   2HZ   LYS  39           HZ3      LYS  39  52.545   6.878   2.852
  295   3HZ   LYS  39           HZ2      LYS  39  52.319   7.901   4.191
  296    H    GLU  40           HN       GLU  40  57.206   3.867   0.129
  297    HA   GLU  40           HA       GLU  40  56.352   2.400  -2.281
  298   1HB   GLU  40           HB2      GLU  40  58.607   4.354  -1.718
  299   2HB   GLU  40           HB1      GLU  40  58.092   3.828  -3.321
  300   1HG   GLU  40           HG2      GLU  40  55.728   4.658  -2.100
  301   2HG   GLU  40           HG1      GLU  40  56.918   5.850  -1.576
  302    H    LEU  41           HN       LEU  41  58.722   2.072   0.236
  303    HA   LEU  41           HA       LEU  41  60.913   0.819  -0.863
  304   1HB   LEU  41           HB2      LEU  41  60.280   1.206   1.570
  305   2HB   LEU  41           HB1      LEU  41  59.338  -0.283   1.481
  306    HG   LEU  41           HG       LEU  41  61.686  -0.582   2.373
  307   1HD1  LEU  41          HD11      LEU  41  60.185  -2.241   0.862
  308   2HD1  LEU  41          HD13      LEU  41  61.600  -2.102  -0.181
  309   3HD1  LEU  41          HD12      LEU  41  61.778  -2.690   1.472
  310   1HD2  LEU  41          HD22      LEU  41  62.628   1.122   0.713
  311   2HD2  LEU  41          HD21      LEU  41  63.549  -0.372   0.886
  312   3HD2  LEU  41          HD23      LEU  41  62.496  -0.141  -0.510
  313    H    GLY  42           HN       GLY  42  57.703  -0.668  -0.385
  314   1HA   GLY  42           HA2      GLY  42  58.391  -3.304  -1.197
  315   2HA   GLY  42           HA1      GLY  42  56.775  -2.604  -1.337
  316    H    LYS  43           HN       LYS  43  56.526  -1.031  -3.238
  317    HA   LYS  43           HA       LYS  43  56.959  -2.281  -5.703
  318   1HB   LYS  43           HB2      LYS  43  56.512   0.533  -4.759
  319   2HB   LYS  43           HB1      LYS  43  56.827   0.255  -6.472
  320   1HG   LYS  43           HG2      LYS  43  54.973  -1.394  -6.530
  321   2HG   LYS  43           HG1      LYS  43  54.636  -1.052  -4.832
  322   1HD   LYS  43           HD2      LYS  43  53.782   1.050  -5.279
  323   2HD   LYS  43           HD1      LYS  43  54.764   1.255  -6.729
  324   1HE   LYS  43           HE2      LYS  43  53.226  -0.859  -7.496
  325   2HE   LYS  43           HE1      LYS  43  52.093   0.003  -6.436
  326   1HZ   LYS  43           HZ3      LYS  43  52.812   2.082  -7.598
  327   2HZ   LYS  43           HZ2      LYS  43  53.613   1.105  -8.735
  328   3HZ   LYS  43           HZ1      LYS  43  51.926   1.006  -8.564
  329    H    VAL  44           HN       VAL  44  59.133  -0.173  -3.877
  330    HA   VAL  44           HA       VAL  44  61.052   0.372  -5.925
  331    HB   VAL  44           HB       VAL  44  61.351   0.011  -2.924
  332   1HG1  VAL  44          HG11      VAL  44  63.232   0.706  -5.050
  333   2HG1  VAL  44          HG13      VAL  44  63.133   1.954  -3.807
  334   3HG1  VAL  44          HG12      VAL  44  63.549   0.298  -3.364
  335   1HG2  VAL  44          HG23      VAL  44  59.846   1.879  -4.381
  336   2HG2  VAL  44          HG22      VAL  44  60.333   2.013  -2.691
  337   3HG2  VAL  44          HG21      VAL  44  61.330   2.730  -3.954
  338    H    MET  45           HN       MET  45  60.849  -2.269  -3.532
  339    HA   MET  45           HA       MET  45  63.277  -3.590  -4.365
  340   1HB   MET  45           HB2      MET  45  60.822  -4.270  -2.754
  341   2HB   MET  45           HB1      MET  45  62.041  -5.503  -3.081
  342   1HG   MET  45           HG2      MET  45  63.166  -2.939  -2.180
  343   2HG   MET  45           HG1      MET  45  62.137  -3.724  -0.983
  344   1HE   MET  45           HE2      MET  45  65.190  -2.949  -1.759
  345   2HE   MET  45           HE1      MET  45  66.320  -4.241  -1.367
  346   3HE   MET  45           HE3      MET  45  65.666  -4.100  -3.004
  347    H    ARG  46           HN       ARG  46  59.934  -3.713  -5.454
  348    HA   ARG  46           HA       ARG  46  60.011  -6.207  -6.857
  349   1HB   ARG  46           HB2      ARG  46  58.441  -3.638  -7.034
  350   2HB   ARG  46           HB1      ARG  46  58.149  -4.944  -8.185
  351   1HG   ARG  46           HG2      ARG  46  58.017  -6.444  -6.036
  352   2HG   ARG  46           HG1      ARG  46  57.717  -4.914  -5.210
  353   1HD   ARG  46           HD2      ARG  46  55.918  -4.507  -7.041
  354   2HD   ARG  46           HD1      ARG  46  56.050  -6.250  -7.345
  355    HE   ARG  46           HE       ARG  46  55.865  -5.981  -4.558
  356   1HH1  ARG  46          HH21      ARG  46  54.057  -4.241  -6.815
  357   2HH1  ARG  46          HH22      ARG  46  52.513  -4.784  -6.250
  358   1HH2  ARG  46          HH11      ARG  46  53.843  -7.106  -4.043
  359   2HH2  ARG  46          HH12      ARG  46  52.392  -6.406  -4.679
  360    H    MET  47           HN       MET  47  60.870  -2.892  -7.841
  361    HA   MET  47           HA       MET  47  61.416  -3.597 -10.609
  362   1HB   MET  47           HB2      MET  47  62.402  -1.245  -8.965
  363   2HB   MET  47           HB1      MET  47  62.182  -1.302 -10.715
  364   1HG   MET  47           HG2      MET  47  59.693  -2.011  -9.897
  365   2HG   MET  47           HG1      MET  47  60.168  -0.953  -8.569
  366   1HE   MET  47           HE2      MET  47  61.775   0.834  -9.101
  367   2HE   MET  47           HE1      MET  47  62.163   1.349 -10.741
  368   3HE   MET  47           HE3      MET  47  60.992   2.260  -9.778
  369    H    LEU  48           HN       LEU  48  63.428  -3.093  -7.702
  370    HA   LEU  48           HA       LEU  48  65.984  -3.385  -8.922
  371   1HB   LEU  48           HB2      LEU  48  64.983  -4.157  -6.160
  372   2HB   LEU  48           HB1      LEU  48  66.674  -3.904  -6.594
  373    HG   LEU  48           HG       LEU  48  64.482  -1.818  -6.795
  374   1HD1  LEU  48          HD12      LEU  48  66.645  -2.385  -4.776
  375   2HD1  LEU  48          HD11      LEU  48  66.043  -0.743  -5.009
  376   3HD1  LEU  48          HD13      LEU  48  64.941  -2.022  -4.498
  377   1HD2  LEU  48          HD21      LEU  48  67.448  -1.790  -7.403
  378   2HD2  LEU  48          HD23      LEU  48  66.121  -1.400  -8.496
  379   3HD2  LEU  48          HD22      LEU  48  66.512  -0.315  -7.161
  380    H    GLY  49           HN       GLY  49  64.387  -5.876  -6.907
  381   1HA   GLY  49           HA2      GLY  49  64.186  -8.038  -8.547
  382   2HA   GLY  49           HA1      GLY  49  65.928  -7.975  -8.266
  383    H    GLN  50           HN       GLN  50  63.327  -7.163  -5.983
  384    HA   GLN  50           HA       GLN  50  64.233  -9.462  -4.282
  385   1HB   GLN  50           HB2      GLN  50  63.814  -6.539  -3.721
  386   2HB   GLN  50           HB1      GLN  50  63.604  -7.711  -2.418
  387   1HG   GLN  50           HG2      GLN  50  65.845  -7.583  -2.139
  388   2HG   GLN  50           HG1      GLN  50  65.964  -8.524  -3.627
  389   1HE2  GLN  50          HE22      GLN  50  67.858  -5.245  -3.936
  390   2HE2  GLN  50          HE21      GLN  50  67.878  -6.455  -2.746
  391    H    ASN  51           HN       ASN  51  62.490  -9.784  -2.454
  392    HA   ASN  51           HA       ASN  51  59.730  -9.229  -3.433
  393   1HB   ASN  51           HB2      ASN  51  60.643 -11.415  -4.337
  394   2HB   ASN  51           HB1      ASN  51  60.750 -11.982  -2.669
  395   1HD2  ASN  51          HD22      ASN  51  57.276 -12.585  -2.372
  396   2HD2  ASN  51          HD21      ASN  51  58.785 -12.578  -1.594
  397    HA   PRO  52           HA       PRO  52  60.515  -9.118   1.208
  398   1HB   PRO  52           HB2      PRO  52  60.129  -6.433   1.566
  399   2HB   PRO  52           HB1      PRO  52  61.717  -7.143   1.213
  400   1HG   PRO  52           HG2      PRO  52  59.817  -5.756  -0.609
  401   2HG   PRO  52           HG1      PRO  52  61.585  -5.684  -0.553
  402   1HD   PRO  52           HD2      PRO  52  60.189  -7.164  -2.374
  403   2HD   PRO  52           HD1      PRO  52  61.832  -7.568  -1.825
  404    H    THR  53           HN       THR  53  58.757  -9.220   2.626
  405    HA   THR  53           HA       THR  53  56.077  -9.130   1.521
  406    HB   THR  53           HB       THR  53  55.889  -9.238   4.292
  407    HG1  THR  53           HG1      THR  53  57.800 -10.868   4.440
  408   1HG2  THR  53          HG22      THR  53  56.060 -11.170   2.049
  409   2HG2  THR  53          HG21      THR  53  56.307 -11.838   3.662
  410   3HG2  THR  53          HG23      THR  53  54.813 -10.981   3.282
  411    HA   PRO  54           HA       PRO  54  54.810  -5.066   2.608
  412   1HB   PRO  54           HB2      PRO  54  52.432  -5.423   3.917
  413   2HB   PRO  54           HB1      PRO  54  52.616  -5.662   2.168
  414   1HG   PRO  54           HG2      PRO  54  52.537  -7.681   4.356
  415   2HG   PRO  54           HG1      PRO  54  51.828  -7.745   2.734
  416   1HD   PRO  54           HD2      PRO  54  54.135  -9.026   3.409
  417   2HD   PRO  54           HD1      PRO  54  53.783  -8.449   1.764
  418    H    GLU  55           HN       GLU  55  54.919  -7.416   5.220
  419    HA   GLU  55           HA       GLU  55  54.877  -5.400   7.356
  420   1HB   GLU  55           HB2      GLU  55  53.947  -7.575   7.787
  421   2HB   GLU  55           HB1      GLU  55  55.391  -8.382   7.173
  422   1HG   GLU  55           HG2      GLU  55  55.542  -8.475   9.561
  423   2HG   GLU  55           HG1      GLU  55  56.679  -7.230   9.044
  424    H    GLU  56           HN       GLU  56  57.218  -6.828   5.261
  425    HA   GLU  56           HA       GLU  56  59.523  -6.367   7.032
  426   1HB   GLU  56           HB2      GLU  56  58.918  -7.489   4.336
  427   2HB   GLU  56           HB1      GLU  56  60.558  -6.893   4.601
  428   1HG   GLU  56           HG2      GLU  56  60.264  -8.281   6.879
  429   2HG   GLU  56           HG1      GLU  56  59.153  -9.200   5.863
  430    H    LEU  57           HN       LEU  57  57.801  -4.710   4.472
  431    HA   LEU  57           HA       LEU  57  59.579  -2.917   3.373
  432   1HB   LEU  57           HB2      LEU  57  56.749  -2.996   4.106
  433   2HB   LEU  57           HB1      LEU  57  57.381  -1.350   4.060
  434    HG   LEU  57           HG       LEU  57  58.322  -1.823   1.792
  435   1HD1  LEU  57          HD11      LEU  57  57.841  -4.477   2.513
  436   2HD1  LEU  57          HD13      LEU  57  56.609  -4.131   1.299
  437   3HD1  LEU  57          HD12      LEU  57  58.315  -3.904   0.913
  438   1HD2  LEU  57          HD21      LEU  57  55.795  -1.098   2.471
  439   2HD2  LEU  57          HD23      LEU  57  56.354  -1.198   0.802
  440   3HD2  LEU  57          HD22      LEU  57  55.455  -2.538   1.513
  441    H    GLN  58           HN       GLN  58  57.781  -2.147   6.388
  442    HA   GLN  58           HA       GLN  58  59.642   0.017   7.036
  443   1HB   GLN  58           HB2      GLN  58  57.273   0.186   7.544
  444   2HB   GLN  58           HB1      GLN  58  57.326  -1.306   8.480
  445   1HG   GLN  58           HG2      GLN  58  57.377   0.600  10.004
  446   2HG   GLN  58           HG1      GLN  58  58.937  -0.222  10.048
  447   1HE2  GLN  58          HE22      GLN  58  60.677   2.456   8.403
  448   2HE2  GLN  58          HE21      GLN  58  60.707   0.779   8.666
  449    H    GLU  59           HN       GLU  59  59.218  -3.355   7.968
  450    HA   GLU  59           HA       GLU  59  60.766  -3.332  10.380
  451   1HB   GLU  59           HB2      GLU  59  59.582  -5.213   8.483
  452   2HB   GLU  59           HB1      GLU  59  61.092  -5.821   9.163
  453   1HG   GLU  59           HG2      GLU  59  58.889  -4.650  10.874
  454   2HG   GLU  59           HG1      GLU  59  58.987  -6.369  10.494
  455    H    MET  60           HN       MET  60  61.752  -4.435   7.105
  456    HA   MET  60           HA       MET  60  64.546  -4.623   7.725
  457   1HB   MET  60           HB2      MET  60  62.732  -4.929   5.499
  458   2HB   MET  60           HB1      MET  60  64.173  -4.062   4.969
  459   1HG   MET  60           HG2      MET  60  64.484  -6.501   6.688
  460   2HG   MET  60           HG1      MET  60  64.155  -6.696   4.967
  461   1HE   MET  60           HE2      MET  60  66.274  -8.080   5.529
  462   2HE   MET  60           HE1      MET  60  66.461  -7.560   3.857
  463   3HE   MET  60           HE3      MET  60  67.836  -7.488   4.968
  464    H    ILE  61           HN       ILE  61  62.490  -1.931   6.916
  465    HA   ILE  61           HA       ILE  61  64.743  -0.171   6.167
  466    HB   ILE  61           HB       ILE  61  61.737  -0.015   6.329
  467   1HG1  ILE  61          HG12      ILE  61  61.895   0.357   3.978
  468   2HG1  ILE  61          HG11      ILE  61  63.612   0.744   4.079
  469   1HG2  ILE  61          HG23      ILE  61  63.685   2.233   6.451
  470   2HG2  ILE  61          HG22      ILE  61  62.338   2.416   5.327
  471   3HG2  ILE  61          HG21      ILE  61  62.026   2.149   7.042
  472   1HD1  ILE  61          HD12      ILE  61  62.533  -1.969   4.862
  473   2HD1  ILE  61          HD11      ILE  61  63.024  -1.596   3.210
  474   3HD1  ILE  61          HD13      ILE  61  64.203  -1.520   4.519
  475    H    ASP  62           HN       ASP  62  62.307  -0.397   8.787
  476    HA   ASP  62           HA       ASP  62  63.235   1.824  10.322
  477   1HB   ASP  62           HB2      ASP  62  61.095   0.856  10.754
  478   2HB   ASP  62           HB1      ASP  62  61.784  -0.757  10.950
  479    H    GLU  63           HN       GLU  63  64.565  -1.348   9.852
  480    HA   GLU  63           HA       GLU  63  66.221  -1.240  12.304
  481   1HB   GLU  63           HB2      GLU  63  65.756  -3.174  10.032
  482   2HB   GLU  63           HB1      GLU  63  67.051  -3.435  11.202
  483   1HG   GLU  63           HG2      GLU  63  64.538  -2.748  12.509
  484   2HG   GLU  63           HG1      GLU  63  64.384  -4.194  11.510
  485    H    VAL  64           HN       VAL  64  66.662  -1.164   8.758
  486    HA   VAL  64           HA       VAL  64  69.539  -0.828   8.887
  487    HB   VAL  64           HB       VAL  64  68.047  -1.737   7.005
  488   1HG1  VAL  64          HG13      VAL  64  66.870   0.775   7.250
  489   2HG1  VAL  64          HG12      VAL  64  67.835   0.906   5.781
  490   3HG1  VAL  64          HG11      VAL  64  66.618  -0.361   5.925
  491   1HG2  VAL  64          HG22      VAL  64  70.341   0.150   6.760
  492   2HG2  VAL  64          HG21      VAL  64  70.219  -1.540   6.269
  493   3HG2  VAL  64          HG23      VAL  64  69.497  -0.278   5.271
  494    H    ASP  65           HN       ASP  65  66.846   1.309   9.267
  495    HA   ASP  65           HA       ASP  65  67.752   3.782   8.321
  496   1HB   ASP  65           HB2      ASP  65  65.635   2.911   9.697
  497   2HB   ASP  65           HB1      ASP  65  66.538   3.596  11.048
  498    H    GLU  66           HN       GLU  66  69.255   5.300   9.047
  499    HA   GLU  66           HA       GLU  66  71.095   4.402  11.227
  500   1HB   GLU  66           HB2      GLU  66  72.102   4.765   9.052
  501   2HB   GLU  66           HB1      GLU  66  71.332   6.346   8.911
  502   1HG   GLU  66           HG2      GLU  66  72.662   6.576  11.308
  503   2HG   GLU  66           HG1      GLU  66  73.770   5.577  10.366
  504    H    ASP  67           HN       ASP  67  68.843   6.921  10.313
  505    HA   ASP  67           HA       ASP  67  69.590   8.462  12.780
  506   1HB   ASP  67           HB2      ASP  67  68.498  10.361  11.470
  507   2HB   ASP  67           HB1      ASP  67  69.992   9.732  10.774
  508    H    GLY  68           HN       GLY  68  67.471   6.199  11.931
  509   1HA   GLY  68           HA2      GLY  68  65.237   5.696  12.474
  510   2HA   GLY  68           HA1      GLY  68  65.561   6.661  13.916
  511    H    SER  69           HN       SER  69  65.549   7.816  10.560
  512    HA   SER  69           HA       SER  69  63.732   9.999  11.297
  513   1HB   SER  69           HB2      SER  69  64.319  10.828   9.142
  514   2HB   SER  69           HB1      SER  69  65.767  10.008   9.715
  515    HG   SER  69           HG       SER  69  65.550   9.017   7.853
  516    H    GLY  70           HN       GLY  70  63.568   7.004   9.392
  517   1HA   GLY  70           HA2      GLY  70  61.394   5.813   9.329
  518   2HA   GLY  70           HA1      GLY  70  60.607   7.391   9.245
  519    H    THR  71           HN       THR  71  63.093   7.993   7.362
  520    HA   THR  71           HA       THR  71  61.799   6.857   4.902
  521    HB   THR  71           HB       THR  71  62.740   9.058   3.909
  522    HG1  THR  71           HG1      THR  71  63.146  10.648   5.423
  523   1HG2  THR  71          HG23      THR  71  60.428   8.702   5.757
  524   2HG2  THR  71          HG22      THR  71  60.817  10.346   5.250
  525   3HG2  THR  71          HG21      THR  71  60.442   9.115   4.043
  526    H    VAL  72           HN       VAL  72  63.202   5.960   3.373
  527    HA   VAL  72           HA       VAL  72  66.048   5.659   4.208
  528    HB   VAL  72           HB       VAL  72  64.615   4.268   1.937
  529   1HG1  VAL  72          HG11      VAL  72  66.866   3.500   3.818
  530   2HG1  VAL  72          HG13      VAL  72  66.174   2.432   2.600
  531   3HG1  VAL  72          HG12      VAL  72  67.020   3.898   2.107
  532   1HG2  VAL  72          HG21      VAL  72  64.526   3.585   4.893
  533   2HG2  VAL  72          HG23      VAL  72  63.154   4.046   3.887
  534   3HG2  VAL  72          HG22      VAL  72  63.981   2.514   3.602
  535    H    ASP  73           HN       ASP  73  67.390   7.197   3.315
  536    HA   ASP  73           HA       ASP  73  66.697   8.366   0.671
  537   1HB   ASP  73           HB2      ASP  73  67.214   9.803   2.622
  538   2HB   ASP  73           HB1      ASP  73  68.810   9.063   2.737
  539    H    PHE  74           HN       PHE  74  70.040   8.384   1.528
  540    HA   PHE  74           HA       PHE  74  70.571   6.296  -0.559
  541   1HB   PHE  74           HB2      PHE  74  71.016   8.828  -0.961
  542   2HB   PHE  74           HB1      PHE  74  72.378   8.609   0.138
  543    HD1  PHE  74           HD1      PHE  74  70.874   6.441  -2.531
  544    HD2  PHE  74           HD2      PHE  74  74.366   8.472  -1.073
  545    HE1  PHE  74           HE1      PHE  74  72.213   5.461  -4.375
  546    HE2  PHE  74           HE2      PHE  74  75.706   7.493  -2.917
  547    HZ   PHE  74           HZ       PHE  74  74.629   5.988  -4.567
  548    H    ASP  75           HN       ASP  75  72.127   7.945   2.227
  549    HA   ASP  75           HA       ASP  75  74.203   6.116   2.713
  550   1HB   ASP  75           HB2      ASP  75  73.073   8.360   3.895
  551   2HB   ASP  75           HB1      ASP  75  72.865   7.113   5.125
  552    H    GLU  76           HN       GLU  76  70.862   6.024   4.003
  553    HA   GLU  76           HA       GLU  76  71.314   3.427   5.300
  554   1HB   GLU  76           HB2      GLU  76  68.775   5.015   4.799
  555   2HB   GLU  76           HB1      GLU  76  68.997   3.747   6.005
  556   1HG   GLU  76           HG2      GLU  76  70.250   5.094   7.396
  557   2HG   GLU  76           HG1      GLU  76  70.894   6.051   6.062
  558    H    PHE  77           HN       PHE  77  69.412   4.636   2.518
  559    HA   PHE  77           HA       PHE  77  68.074   2.350   1.691
  560   1HB   PHE  77           HB2      PHE  77  67.982   4.567   0.618
  561   2HB   PHE  77           HB1      PHE  77  69.621   4.345   0.005
  562    HD1  PHE  77           HD2      PHE  77  66.374   2.453   0.092
  563    HD2  PHE  77           HD1      PHE  77  69.827   3.603  -2.190
  564    HE1  PHE  77           HE2      PHE  77  65.477   1.242  -1.878
  565    HE2  PHE  77           HE1      PHE  77  68.930   2.391  -4.158
  566    HZ   PHE  77           HZ       PHE  77  66.755   1.211  -4.003
  567    H    LEU  78           HN       LEU  78  71.539   3.034   1.353
  568    HA   LEU  78           HA       LEU  78  72.109   0.779  -0.383
  569   1HB   LEU  78           HB2      LEU  78  73.481   2.951   1.021
  570   2HB   LEU  78           HB1      LEU  78  74.431   1.465   0.994
  571    HG   LEU  78           HG       LEU  78  73.228   2.875  -1.405
  572   1HD1  LEU  78          HD11      LEU  78  75.931   2.732  -0.158
  573   2HD1  LEU  78          HD13      LEU  78  75.857   2.684  -1.920
  574   3HD1  LEU  78          HD12      LEU  78  75.171   4.053  -1.045
  575   1HD2  LEU  78          HD21      LEU  78  74.400   0.155  -0.998
  576   2HD2  LEU  78          HD23      LEU  78  73.124   0.673  -2.101
  577   3HD2  LEU  78          HD22      LEU  78  74.812   1.009  -2.486
  578    H    VAL  79           HN       VAL  79  72.346   1.327   3.138
  579    HA   VAL  79           HA       VAL  79  73.546  -1.152   3.853
  580    HB   VAL  79           HB       VAL  79  71.518   0.561   5.326
  581   1HG1  VAL  79          HG12      VAL  79  72.163  -1.825   6.171
  582   2HG1  VAL  79          HG11      VAL  79  73.711  -1.082   6.572
  583   3HG1  VAL  79          HG13      VAL  79  72.225  -0.479   7.307
  584   1HG2  VAL  79          HG21      VAL  79  73.793   1.517   4.327
  585   2HG2  VAL  79          HG23      VAL  79  73.256   1.970   5.945
  586   3HG2  VAL  79          HG22      VAL  79  74.481   0.717   5.739
  587    H    MET  80           HN       MET  80  70.260  -0.376   2.909
  588    HA   MET  80           HA       MET  80  69.015  -2.750   4.023
  589   1HB   MET  80           HB2      MET  80  68.312  -0.343   2.678
  590   2HB   MET  80           HB1      MET  80  67.653  -1.675   1.726
  591   1HG   MET  80           HG2      MET  80  67.327  -1.747   4.702
  592   2HG   MET  80           HG1      MET  80  66.288  -0.673   3.767
  593   1HE   MET  80           HE1      MET  80  65.813  -1.391   1.460
  594   2HE   MET  80           HE3      MET  80  65.847  -3.055   0.861
  595   3HE   MET  80           HE2      MET  80  64.351  -2.374   1.497
  596    H    MET  81           HN       MET  81  70.171  -1.855   0.754
  597    HA   MET  81           HA       MET  81  69.445  -4.310  -0.531
  598   1HB   MET  81           HB2      MET  81  71.143  -1.930  -1.006
  599   2HB   MET  81           HB1      MET  81  71.596  -3.367  -1.925
  600   1HG   MET  81           HG2      MET  81  69.100  -3.562  -2.521
  601   2HG   MET  81           HG1      MET  81  68.951  -1.908  -1.926
  602   1HE   MET  81           HE2      MET  81  68.655  -0.437  -3.103
  603   2HE   MET  81           HE1      MET  81  70.004   0.371  -3.897
  604   3HE   MET  81           HE3      MET  81  68.741  -0.408  -4.862
  605    H    VAL  82           HN       VAL  82  72.639  -3.224   0.691
  606    HA   VAL  82           HA       VAL  82  74.142  -5.535   0.215
  607    HB   VAL  82           HB       VAL  82  75.074  -3.454   1.052
  608   1HG1  VAL  82          HG12      VAL  82  73.026  -2.940   2.480
  609   2HG1  VAL  82          HG11      VAL  82  73.706  -4.024   3.693
  610   3HG1  VAL  82          HG13      VAL  82  74.582  -2.567   3.225
  611   1HG2  VAL  82          HG22      VAL  82  75.588  -6.020   2.252
  612   2HG2  VAL  82          HG21      VAL  82  76.725  -4.708   1.933
  613   3HG2  VAL  82          HG23      VAL  82  75.839  -4.756   3.457
  614    H    ARG  83           HN       ARG  83  71.860  -4.914   2.871
  615    HA   ARG  83           HA       ARG  83  72.482  -7.181   4.490
  616   1HB   ARG  83           HB2      ARG  83  70.305  -5.221   4.103
  617   2HB   ARG  83           HB1      ARG  83  69.798  -6.743   4.838
  618   1HG   ARG  83           HG2      ARG  83  71.789  -6.470   6.425
  619   2HG   ARG  83           HG1      ARG  83  71.906  -4.815   5.827
  620   1HD   ARG  83           HD2      ARG  83  70.452  -4.414   7.577
  621   2HD   ARG  83           HD1      ARG  83  69.243  -4.927   6.381
  622    HE   ARG  83           HE       ARG  83  70.219  -7.298   7.504
  623   1HH1  ARG  83          HH21      ARG  83  69.897  -4.703   9.508
  624   2HH1  ARG  83          HH22      ARG  83  68.570  -5.319  10.433
  625   1HH2  ARG  83          HH11      ARG  83  67.979  -7.988   8.303
  626   2HH2  ARG  83          HH12      ARG  83  67.485  -7.178   9.751
  627    H    CYS  84           HN       CYS  84  69.759  -6.819   2.178
  628    HA   CYS  84           HA       CYS  84  68.703  -9.362   2.145
  629   1HB   CYS  84           HB2      CYS  84  68.120  -7.310   0.755
  630   2HB   CYS  84           HB1      CYS  84  69.405  -7.794  -0.352
  631    HG   CYS  84           HG       CYS  84  67.953  -9.591  -1.257
  632    H    MET  85           HN       MET  85  71.526  -8.348   0.171
  633    HA   MET  85           HA       MET  85  72.068 -11.038  -0.777
  634   1HB   MET  85           HB2      MET  85  74.085  -9.940  -1.681
  635   2HB   MET  85           HB1      MET  85  72.663  -8.936  -1.957
  636   1HG   MET  85           HG2      MET  85  73.223  -7.472  -0.157
  637   2HG   MET  85           HG1      MET  85  74.440  -8.588   0.464
  638   1HE   MET  85           HE3      MET  85  73.124  -6.371  -1.954
  639   2HE   MET  85           HE2      MET  85  74.418  -5.182  -1.842
  640   3HE   MET  85           HE1      MET  85  74.269  -6.178  -3.287
  641    H    LYS  86           HN       LYS  86  75.055 -10.550  -0.209
  642    HA   LYS  86           HA       LYS  86  75.038 -11.706   2.558
  643   1HB   LYS  86           HB2      LYS  86  76.835 -12.089   0.145
  644   2HB   LYS  86           HB1      LYS  86  77.194 -12.764   1.735
  645   1HG   LYS  86           HG2      LYS  86  74.822 -13.782   1.626
  646   2HG   LYS  86           HG1      LYS  86  74.886 -13.414  -0.097
  647   1HD   LYS  86           HD2      LYS  86  76.620 -14.920  -0.493
  648   2HD   LYS  86           HD1      LYS  86  77.180 -14.871   1.179
  649   1HE   LYS  86           HE2      LYS  86  75.147 -16.099   1.894
  650   2HE   LYS  86           HE1      LYS  86  74.611 -16.175   0.204
  651   1HZ   LYS  86           HZ3      LYS  86  77.113 -17.005  -0.053
  652   2HZ   LYS  86           HZ2      LYS  86  76.804 -17.573   1.518
  653   3HZ   LYS  86           HZ1      LYS  86  75.822 -18.069   0.223
  654    H    ASP  87           HN       ASP  87  76.721 -10.998   4.002
  655    HA   ASP  87           HA       ASP  87  77.349  -8.268   4.079
  656   1HB   ASP  87           HB2      ASP  87  78.032 -10.723   5.432
  657   2HB   ASP  87           HB1      ASP  87  79.465  -9.704   5.304
  658    H    ASP  88           HN       ASP  88  79.749 -10.816   3.285
  659    HA   ASP  88           HA       ASP  88  80.902  -8.999   1.212
  660   1HB   ASP  88           HB2      ASP  88  82.144  -8.531   3.219
  661   2HB   ASP  88           HB1      ASP  88  82.278 -10.247   3.607
  662    H    SER  89           HN       SER  89  79.757 -10.757  -0.092
  663    HA   SER  89           HA       SER  89  81.249 -13.346  -0.126
  664   1HB   SER  89           HB2      SER  89  78.755 -13.277   0.100
  665   2HB   SER  89           HB1      SER  89  78.665 -12.485  -1.471
  666    HG   SER  89           HG       SER  89  78.511 -14.938  -1.245
   
  No H/Q in entry =         666
  Start of MODEL   10
    1   1H    MET   1           HT1      MET   1  75.168   0.230  13.580
    2   2H    MET   1           HT3      MET   1  73.848   0.805  14.478
    3   3H    MET   1           HT2      MET   1  75.141   1.844  14.112
    4    HA   MET   1           HA       MET   1  75.579   1.286  16.311
    5   1HB   MET   1           HB2      MET   1  74.312  -1.263  15.357
    6   2HB   MET   1           HB1      MET   1  75.331  -1.311  16.796
    7   1HG   MET   1           HG2      MET   1  73.532   0.965  16.878
    8   2HG   MET   1           HG1      MET   1  72.636  -0.542  16.685
    9   1HE   MET   1           HE3      MET   1  74.028   1.883  18.496
   10   2HE   MET   1           HE2      MET   1  73.124   1.457  19.948
   11   3HE   MET   1           HE1      MET   1  74.880   1.316  19.938
   12    H    ASP   2           HN       ASP   2  76.356  -1.846  14.868
   13    HA   ASP   2           HA       ASP   2  79.180  -1.557  15.441
   14   1HB   ASP   2           HB2      ASP   2  77.302  -3.560  14.754
   15   2HB   ASP   2           HB1      ASP   2  78.537  -3.597  13.493
   16    H    ASP   3           HN       ASP   3  80.903  -1.376  13.877
   17    HA   ASP   3           HA       ASP   3  80.202   0.259  11.519
   18   1HB   ASP   3           HB2      ASP   3  82.729  -0.600  12.937
   19   2HB   ASP   3           HB1      ASP   3  82.785   0.278  11.409
   20    H    ILE   4           HN       ILE   4  79.827  -2.845  11.849
   21    HA   ILE   4           HA       ILE   4  81.579  -4.053   9.878
   22    HB   ILE   4           HB       ILE   4  80.128  -5.962  10.218
   23   1HG1  ILE   4          HG12      ILE   4  78.182  -4.030  11.519
   24   2HG1  ILE   4          HG11      ILE   4  77.998  -4.681   9.890
   25   1HG2  ILE   4          HG22      ILE   4  81.354  -4.559  12.290
   26   2HG2  ILE   4          HG21      ILE   4  79.745  -4.917  12.918
   27   3HG2  ILE   4          HG23      ILE   4  80.787  -6.227  12.364
   28   1HD1  ILE   4          HD11      ILE   4  78.395  -6.554  12.208
   29   2HD1  ILE   4          HD13      ILE   4  76.796  -5.882  11.887
   30   3HD1  ILE   4          HD12      ILE   4  77.606  -6.854  10.659
   31    H    TYR   5           HN       TYR   5  78.730  -2.106   9.689
   32    HA   TYR   5           HA       TYR   5  78.001  -3.079   6.987
   33   1HB   TYR   5           HB2      TYR   5  76.895  -0.976   8.874
   34   2HB   TYR   5           HB1      TYR   5  76.170  -1.381   7.319
   35    HD1  TYR   5           HD1      TYR   5  75.673  -3.917   6.902
   36    HD2  TYR   5           HD2      TYR   5  76.269  -2.185  10.787
   37    HE1  TYR   5           HE1      TYR   5  74.506  -5.844   7.940
   38    HE2  TYR   5           HE2      TYR   5  75.102  -4.111  11.825
   39    HH   TYR   5           HH       TYR   5  74.630  -6.508  11.238
   40    H    LYS   6           HN       LYS   6  79.519  -0.283   8.549
   41    HA   LYS   6           HA       LYS   6  79.486   1.534   6.359
   42   1HB   LYS   6           HB2      LYS   6  81.374   1.024   8.671
   43   2HB   LYS   6           HB1      LYS   6  81.592   2.383   7.568
   44   1HG   LYS   6           HG2      LYS   6  78.954   2.659   8.144
   45   2HG   LYS   6           HG1      LYS   6  79.531   1.960   9.657
   46   1HD   LYS   6           HD2      LYS   6  80.953   3.752  10.101
   47   2HD   LYS   6           HD1      LYS   6  81.071   4.209   8.401
   48   1HE   LYS   6           HE2      LYS   6  79.329   5.643   8.611
   49   2HE   LYS   6           HE1      LYS   6  78.315   4.373   9.326
   50   1HZ   LYS   6           HZ3      LYS   6  80.489   5.730  10.819
   51   2HZ   LYS   6           HZ2      LYS   6  78.879   6.276  10.849
   52   3HZ   LYS   6           HZ1      LYS   6  79.268   4.731  11.442
   53    H    ALA   7           HN       ALA   7  81.209  -1.426   6.806
   54    HA   ALA   7           HA       ALA   7  83.238  -0.748   4.738
   55   1HB   ALA   7           HB3      ALA   7  82.831  -2.756   6.896
   56   2HB   ALA   7           HB2      ALA   7  83.716  -3.315   5.476
   57   3HB   ALA   7           HB1      ALA   7  84.309  -1.932   6.395
   58    H    ALA   8           HN       ALA   8  80.463  -2.887   5.310
   59    HA   ALA   8           HA       ALA   8  80.702  -4.423   2.884
   60   1HB   ALA   8           HB2      ALA   8  79.263  -4.568   5.165
   61   2HB   ALA   8           HB1      ALA   8  78.042  -3.859   4.106
   62   3HB   ALA   8           HB3      ALA   8  78.780  -5.407   3.691
   63    H    VAL   9           HN       VAL   9  79.229  -1.313   3.666
   64    HA   VAL   9           HA       VAL   9  77.766  -1.099   1.140
   65    HB   VAL   9           HB       VAL   9  78.534   0.942   3.254
   66   1HG1  VAL   9          HG12      VAL   9  76.666   0.965   0.894
   67   2HG1  VAL   9          HG11      VAL   9  76.318   1.959   2.308
   68   3HG1  VAL   9          HG13      VAL   9  77.815   2.200   1.409
   69   1HG2  VAL   9          HG23      VAL   9  76.866  -1.314   3.454
   70   2HG2  VAL   9          HG22      VAL   9  76.921   0.056   4.563
   71   3HG2  VAL   9          HG21      VAL   9  75.770   0.049   3.226
   72    H    GLU  10           HN       GLU  10  80.862   0.060   2.441
   73    HA   GLU  10           HA       GLU  10  81.464   1.744   0.137
   74   1HB   GLU  10           HB2      GLU  10  82.427   1.229   2.761
   75   2HB   GLU  10           HB1      GLU  10  83.767   0.920   1.656
   76   1HG   GLU  10           HG2      GLU  10  82.078   3.404   1.392
   77   2HG   GLU  10           HG1      GLU  10  83.447   3.347   2.503
   78    H    GLN  11           HN       GLN  11  81.669  -1.625   0.807
   79    HA   GLN  11           HA       GLN  11  83.947  -2.276  -0.860
   80   1HB   GLN  11           HB2      GLN  11  82.042  -3.539   0.862
   81   2HB   GLN  11           HB1      GLN  11  82.053  -4.414  -0.670
   82   1HG   GLN  11           HG2      GLN  11  84.031  -5.352  -0.156
   83   2HG   GLN  11           HG1      GLN  11  84.757  -3.758   0.050
   84   1HE2  GLN  11          HE22      GLN  11  84.875  -4.054   3.548
   85   2HE2  GLN  11          HE21      GLN  11  85.427  -3.273   2.145
   86    H    LEU  12           HN       LEU  12  80.608  -1.532  -1.505
   87    HA   LEU  12           HA       LEU  12  80.156  -2.928  -3.931
   88   1HB   LEU  12           HB2      LEU  12  79.281  -0.205  -2.918
   89   2HB   LEU  12           HB1      LEU  12  78.576  -0.988  -4.334
   90    HG   LEU  12           HG       LEU  12  78.613  -2.109  -1.515
   91   1HD1  LEU  12          HD11      LEU  12  76.820  -0.333  -2.901
   92   2HD1  LEU  12          HD13      LEU  12  75.999  -1.862  -2.588
   93   3HD1  LEU  12          HD12      LEU  12  76.703  -0.949  -1.253
   94   1HD2  LEU  12          HD23      LEU  12  78.332  -3.376  -4.091
   95   2HD2  LEU  12          HD22      LEU  12  78.280  -4.114  -2.490
   96   3HD2  LEU  12          HD21      LEU  12  76.803  -3.480  -3.217
   97    H    THR  13           HN       THR  13  80.493  -2.278  -6.139
   98    HA   THR  13           HA       THR  13  82.966  -0.789  -6.609
   99    HB   THR  13           HB       THR  13  82.618  -1.538  -8.884
  100    HG1  THR  13           HG1      THR  13  80.401  -2.714  -9.038
  101   1HG2  THR  13          HG21      THR  13  83.098  -3.250  -7.039
  102   2HG2  THR  13          HG23      THR  13  81.394  -3.693  -7.157
  103   3HG2  THR  13          HG22      THR  13  82.454  -3.887  -8.553
  104    H    GLU  14           HN       GLU  14  83.073   1.102  -8.049
  105    HA   GLU  14           HA       GLU  14  81.311   3.224  -7.388
  106   1HB   GLU  14           HB2      GLU  14  83.696   2.854  -8.721
  107   2HB   GLU  14           HB1      GLU  14  82.620   3.358 -10.026
  108   1HG   GLU  14           HG2      GLU  14  82.838   5.484  -9.324
  109   2HG   GLU  14           HG1      GLU  14  82.030   5.031  -7.822
  110    H    GLU  15           HN       GLU  15  81.444   1.267 -10.392
  111    HA   GLU  15           HA       GLU  15  79.287   2.448 -11.767
  112   1HB   GLU  15           HB2      GLU  15  79.274   0.362 -13.010
  113   2HB   GLU  15           HB1      GLU  15  80.943   0.702 -12.547
  114   1HG   GLU  15           HG2      GLU  15  80.610  -0.774 -10.535
  115   2HG   GLU  15           HG1      GLU  15  79.032  -1.217 -11.186
  116    H    GLN  16           HN       GLN  16  79.265   0.102  -9.117
  117    HA   GLN  16           HA       GLN  16  76.497  -0.659  -9.300
  118   1HB   GLN  16           HB2      GLN  16  78.175  -1.915  -8.046
  119   2HB   GLN  16           HB1      GLN  16  78.471  -0.527  -6.996
  120   1HG   GLN  16           HG2      GLN  16  76.914  -1.442  -5.629
  121   2HG   GLN  16           HG1      GLN  16  75.733  -0.860  -6.803
  122   1HE2  GLN  16          HE22      GLN  16  74.776  -4.316  -6.837
  123   2HE2  GLN  16          HE21      GLN  16  74.410  -2.807  -6.151
  124    H    LYS  17           HN       LYS  17  78.135   1.703  -7.150
  125    HA   LYS  17           HA       LYS  17  75.679   2.783  -6.075
  126   1HB   LYS  17           HB2      LYS  17  78.587   3.580  -6.189
  127   2HB   LYS  17           HB1      LYS  17  77.393   4.659  -5.467
  128   1HG   LYS  17           HG2      LYS  17  77.125   3.337  -3.636
  129   2HG   LYS  17           HG1      LYS  17  77.189   1.852  -4.585
  130   1HD   LYS  17           HD2      LYS  17  79.205   1.627  -3.510
  131   2HD   LYS  17           HD1      LYS  17  79.752   2.634  -4.850
  132   1HE   LYS  17           HE2      LYS  17  80.592   3.695  -2.868
  133   2HE   LYS  17           HE1      LYS  17  79.175   4.653  -3.339
  134   1HZ   LYS  17           HZ2      LYS  17  77.843   3.106  -1.909
  135   2HZ   LYS  17           HZ1      LYS  17  79.310   2.503  -1.298
  136   3HZ   LYS  17           HZ3      LYS  17  78.898   4.130  -1.059
  137    H    ASN  18           HN       ASN  18  77.176   3.115  -9.111
  138    HA   ASN  18           HA       ASN  18  76.392   5.890  -9.638
  139   1HB   ASN  18           HB2      ASN  18  78.015   3.811 -10.759
  140   2HB   ASN  18           HB1      ASN  18  76.896   4.368 -12.004
  141   1HD2  ASN  18          HD22      ASN  18  79.507   7.123 -10.400
  142   2HD2  ASN  18          HD21      ASN  18  78.979   5.831  -9.434
  143    H    GLU  19           HN       GLU  19  75.116   2.650 -10.376
  144    HA   GLU  19           HA       GLU  19  72.956   3.678 -12.063
  145   1HB   GLU  19           HB2      GLU  19  73.519   0.989 -10.771
  146   2HB   GLU  19           HB1      GLU  19  72.276   1.275 -11.991
  147   1HG   GLU  19           HG2      GLU  19  74.078   2.124 -13.528
  148   2HG   GLU  19           HG1      GLU  19  75.268   1.616 -12.328
  149    H    PHE  20           HN       PHE  20  73.356   2.766  -8.673
  150    HA   PHE  20           HA       PHE  20  70.545   2.650  -8.019
  151   1HB   PHE  20           HB2      PHE  20  73.160   2.901  -6.559
  152   2HB   PHE  20           HB1      PHE  20  71.647   3.076  -5.668
  153    HD1  PHE  20           HD2      PHE  20  72.681   0.880  -8.529
  154    HD2  PHE  20           HD1      PHE  20  71.177   1.104  -4.511
  155    HE1  PHE  20           HE2      PHE  20  72.416  -1.586  -8.492
  156    HE2  PHE  20           HE1      PHE  20  70.911  -1.362  -4.474
  157    HZ   PHE  20           HZ       PHE  20  71.532  -2.707  -6.463
  158    H    LYS  21           HN       LYS  21  72.936   5.269  -8.105
  159    HA   LYS  21           HA       LYS  21  71.517   7.248  -6.639
  160   1HB   LYS  21           HB2      LYS  21  73.849   7.436  -7.390
  161   2HB   LYS  21           HB1      LYS  21  73.322   7.456  -9.074
  162   1HG   LYS  21           HG2      LYS  21  73.183   9.699  -8.912
  163   2HG   LYS  21           HG1      LYS  21  71.814   9.464  -7.824
  164   1HD   LYS  21           HD2      LYS  21  73.136   9.675  -5.902
  165   2HD   LYS  21           HD1      LYS  21  74.624   9.288  -6.766
  166   1HE   LYS  21           HE2      LYS  21  74.900  11.581  -6.651
  167   2HE   LYS  21           HE1      LYS  21  73.888  11.531  -8.109
  168   1HZ   LYS  21           HZ3      LYS  21  72.508  11.400  -5.546
  169   2HZ   LYS  21           HZ2      LYS  21  73.195  12.900  -5.952
  170   3HZ   LYS  21           HZ1      LYS  21  72.052  12.180  -6.981
  171    H    ALA  22           HN       ALA  22  71.372   6.418 -10.113
  172    HA   ALA  22           HA       ALA  22  69.465   8.427 -10.857
  173   1HB   ALA  22           HB1      ALA  22  70.982   6.437 -12.055
  174   2HB   ALA  22           HB3      ALA  22  69.331   5.856 -12.277
  175   3HB   ALA  22           HB2      ALA  22  69.797   7.445 -12.886
  176    H    ALA  23           HN       ALA  23  68.988   4.936 -10.177
  177    HA   ALA  23           HA       ALA  23  66.139   4.965 -10.246
  178   1HB   ALA  23           HB2      ALA  23  67.954   3.064 -10.157
  179   2HB   ALA  23           HB1      ALA  23  67.751   3.205  -8.411
  180   3HB   ALA  23           HB3      ALA  23  66.375   2.777  -9.426
  181    H    PHE  24           HN       PHE  24  68.443   5.734  -7.678
  182    HA   PHE  24           HA       PHE  24  66.818   5.699  -5.393
  183   1HB   PHE  24           HB2      PHE  24  69.271   6.188  -5.569
  184   2HB   PHE  24           HB1      PHE  24  68.872   7.786  -6.199
  185    HD1  PHE  24           HD2      PHE  24  68.651   5.565  -3.241
  186    HD2  PHE  24           HD1      PHE  24  68.061   9.540  -4.759
  187    HE1  PHE  24           HE2      PHE  24  68.382   6.409  -0.926
  188    HE2  PHE  24           HE1      PHE  24  67.794  10.384  -2.442
  189    HZ   PHE  24           HZ       PHE  24  67.954   8.819  -0.526
  190    H    ASP  25           HN       ASP  25  67.206   8.357  -7.759
  191    HA   ASP  25           HA       ASP  25  65.296  10.114  -6.474
  192   1HB   ASP  25           HB2      ASP  25  66.939   9.951  -8.923
  193   2HB   ASP  25           HB1      ASP  25  65.464  10.902  -9.098
  194    H    ILE  26           HN       ILE  26  64.932   7.328  -8.471
  195    HA   ILE  26           HA       ILE  26  62.377   8.107  -9.671
  196    HB   ILE  26           HB       ILE  26  63.928   5.518  -9.425
  197   1HG1  ILE  26          HG12      ILE  26  63.681   7.708 -11.486
  198   2HG1  ILE  26          HG11      ILE  26  65.143   6.987 -10.815
  199   1HG2  ILE  26          HG21      ILE  26  61.220   5.755  -9.948
  200   2HG2  ILE  26          HG23      ILE  26  61.929   5.750 -11.562
  201   3HG2  ILE  26          HG22      ILE  26  62.240   4.410 -10.457
  202   1HD1  ILE  26          HD11      ILE  26  64.611   4.862 -11.970
  203   2HD1  ILE  26          HD13      ILE  26  63.175   5.611 -12.664
  204   3HD1  ILE  26          HD12      ILE  26  64.777   6.196 -13.111
  205    H    PHE  27           HN       PHE  27  63.440   6.299  -6.813
  206    HA   PHE  27           HA       PHE  27  60.774   5.238  -6.240
  207   1HB   PHE  27           HB2      PHE  27  63.204   5.469  -4.444
  208   2HB   PHE  27           HB1      PHE  27  61.896   4.291  -4.329
  209    HD1  PHE  27           HD1      PHE  27  61.459   3.140  -6.828
  210    HD2  PHE  27           HD2      PHE  27  65.189   4.568  -5.248
  211    HE1  PHE  27           HE1      PHE  27  62.688   1.620  -8.356
  212    HE2  PHE  27           HE2      PHE  27  66.418   3.049  -6.776
  213    HZ   PHE  27           HZ       PHE  27  65.167   1.575  -8.329
  214    H    VAL  28           HN       VAL  28  62.483   8.192  -5.580
  215    HA   VAL  28           HA       VAL  28  60.863   8.888  -3.224
  216    HB   VAL  28           HB       VAL  28  62.199  10.982  -3.416
  217   1HG1  VAL  28          HG12      VAL  28  63.063   8.800  -2.384
  218   2HG1  VAL  28          HG11      VAL  28  63.988   8.596  -3.870
  219   3HG1  VAL  28          HG13      VAL  28  64.279   9.993  -2.836
  220   1HG2  VAL  28          HG23      VAL  28  62.213  10.767  -6.003
  221   2HG2  VAL  28          HG22      VAL  28  63.671  11.376  -5.218
  222   3HG2  VAL  28          HG21      VAL  28  63.595   9.699  -5.758
  223    H    LEU  29           HN       LEU  29  60.409   8.969  -6.587
  224    HA   LEU  29           HA       LEU  29  59.231  11.389  -7.242
  225   1HB   LEU  29           HB2      LEU  29  59.302   8.776  -8.224
  226   2HB   LEU  29           HB1      LEU  29  57.579   9.119  -8.051
  227    HG   LEU  29           HG       LEU  29  58.270  11.427  -9.166
  228   1HD1  LEU  29          HD12      LEU  29  60.717  10.137  -9.180
  229   2HD1  LEU  29          HD11      LEU  29  60.120   9.856 -10.815
  230   3HD1  LEU  29          HD13      LEU  29  60.280  11.503 -10.206
  231   1HD2  LEU  29          HD22      LEU  29  56.716   9.628 -10.049
  232   2HD2  LEU  29          HD21      LEU  29  57.583  10.526 -11.294
  233   3HD2  LEU  29          HD23      LEU  29  58.117   8.906 -10.843
  234    H    GLY  30           HN       GLY  30  58.184  12.398  -5.462
  235   1HA   GLY  30           HA2      GLY  30  55.682  12.730  -4.973
  236   2HA   GLY  30           HA1      GLY  30  55.713  11.039  -4.467
  237    H    ALA  31           HN       ALA  31  58.590  11.685  -3.461
  238    HA   ALA  31           HA       ALA  31  57.921  12.034  -0.698
  239   1HB   ALA  31           HB1      ALA  31  60.057  11.195  -2.140
  240   2HB   ALA  31           HB3      ALA  31  60.612  12.810  -1.699
  241   3HB   ALA  31           HB2      ALA  31  60.174  11.654  -0.441
  242    H    GLU  32           HN       GLU  32  59.522  13.964   0.363
  243    HA   GLU  32           HA       GLU  32  58.336  16.494  -0.715
  244   1HB   GLU  32           HB2      GLU  32  59.397  15.758   2.035
  245   2HB   GLU  32           HB1      GLU  32  58.599  17.275   1.614
  246   1HG   GLU  32           HG2      GLU  32  56.698  15.640   0.739
  247   2HG   GLU  32           HG1      GLU  32  57.429  14.537   1.907
  248    H    ASP  33           HN       ASP  33  61.319  15.195   0.784
  249    HA   ASP  33           HA       ASP  33  62.824  17.512  -0.368
  250   1HB   ASP  33           HB2      ASP  33  64.522  16.803   1.339
  251   2HB   ASP  33           HB1      ASP  33  62.959  17.203   2.051
  252    H    GLY  34           HN       GLY  34  62.323  14.110  -0.685
  253   1HA   GLY  34           HA2      GLY  34  63.209  13.156  -2.839
  254   2HA   GLY  34           HA1      GLY  34  64.742  13.933  -2.441
  255    H    CYS  35           HN       CYS  35  62.474  11.954  -0.505
  256    HA   CYS  35           HA       CYS  35  64.779  10.125   0.097
  257   1HB   CYS  35           HB2      CYS  35  63.064  11.764   1.764
  258   2HB   CYS  35           HB1      CYS  35  62.907  10.064   2.209
  259    HG   CYS  35           HG       CYS  35  65.137  11.636   3.138
  260    H    ILE  36           HN       ILE  36  64.258   7.885   0.170
  261    HA   ILE  36           HA       ILE  36  61.719   7.162  -1.175
  262    HB   ILE  36           HB       ILE  36  63.707   5.109  -0.307
  263   1HG1  ILE  36          HG12      ILE  36  64.318   7.323  -2.286
  264   2HG1  ILE  36          HG11      ILE  36  65.297   6.795  -0.919
  265   1HG2  ILE  36          HG22      ILE  36  62.207   5.748  -2.864
  266   2HG2  ILE  36          HG21      ILE  36  63.298   4.376  -2.678
  267   3HG2  ILE  36          HG23      ILE  36  61.830   4.472  -1.706
  268   1HD1  ILE  36          HD13      ILE  36  65.095   4.463  -2.310
  269   2HD1  ILE  36          HD12      ILE  36  65.062   5.631  -3.630
  270   3HD1  ILE  36          HD11      ILE  36  66.422   5.608  -2.508
  271    H    SER  37           HN       SER  37  60.366   7.691   0.733
  272    HA   SER  37           HA       SER  37  60.593   6.602   3.316
  273   1HB   SER  37           HB2      SER  37  58.850   8.173   1.969
  274   2HB   SER  37           HB1      SER  37  57.908   6.686   2.030
  275    HG   SER  37           HG       SER  37  57.790   8.264   3.870
  276    H    THR  38           HN       THR  38  58.953   4.832   4.141
  277    HA   THR  38           HA       THR  38  59.629   2.331   2.808
  278    HB   THR  38           HB       THR  38  59.493   2.604   5.254
  279    HG1  THR  38           HG1      THR  38  57.917   0.849   5.582
  280   1HG2  THR  38          HG21      THR  38  56.737   3.499   4.528
  281   2HG2  THR  38          HG23      THR  38  56.966   2.664   6.065
  282   3HG2  THR  38          HG22      THR  38  57.848   4.154   5.732
  283    H    LYS  39           HN       LYS  39  56.899   4.517   2.801
  284    HA   LYS  39           HA       LYS  39  54.848   2.723   1.922
  285   1HB   LYS  39           HB2      LYS  39  55.195   5.434   2.519
  286   2HB   LYS  39           HB1      LYS  39  54.719   5.423   0.821
  287   1HG   LYS  39           HG2      LYS  39  52.598   4.856   1.335
  288   2HG   LYS  39           HG1      LYS  39  53.141   3.534   2.370
  289   1HD   LYS  39           HD2      LYS  39  52.956   6.459   3.146
  290   2HD   LYS  39           HD1      LYS  39  51.911   5.157   3.717
  291   1HE   LYS  39           HE2      LYS  39  53.380   4.761   5.393
  292   2HE   LYS  39           HE1      LYS  39  54.610   4.343   4.184
  293   1HZ   LYS  39           HZ1      LYS  39  53.951   7.170   4.627
  294   2HZ   LYS  39           HZ3      LYS  39  54.956   6.390   5.747
  295   3HZ   LYS  39           HZ2      LYS  39  55.413   6.472   4.113
  296    H    GLU  40           HN       GLU  40  57.415   4.440   0.205
  297    HA   GLU  40           HA       GLU  40  56.420   3.328  -2.389
  298   1HB   GLU  40           HB2      GLU  40  58.371   5.550  -1.698
  299   2HB   GLU  40           HB1      GLU  40  57.908   5.094  -3.337
  300   1HG   GLU  40           HG2      GLU  40  56.106   6.432  -3.183
  301   2HG   GLU  40           HG1      GLU  40  55.503   5.436  -1.859
  302    H    LEU  41           HN       LEU  41  57.685   1.492  -0.670
  303    HA   LEU  41           HA       LEU  41  60.397   1.190  -1.921
  304   1HB   LEU  41           HB2      LEU  41  59.711   1.482   0.728
  305   2HB   LEU  41           HB1      LEU  41  59.782  -0.274   0.566
  306    HG   LEU  41           HG       LEU  41  61.964   1.723  -0.073
  307   1HD1  LEU  41          HD13      LEU  41  61.352  -0.138   2.114
  308   2HD1  LEU  41          HD12      LEU  41  62.983  -0.328   1.471
  309   3HD1  LEU  41          HD11      LEU  41  62.455   1.239   2.085
  310   1HD2  LEU  41          HD21      LEU  41  61.709  -1.218  -0.748
  311   2HD2  LEU  41          HD23      LEU  41  62.023   0.119  -1.856
  312   3HD2  LEU  41          HD22      LEU  41  63.262  -0.380  -0.704
  313    H    GLY  42           HN       GLY  42  57.282  -0.261  -1.337
  314   1HA   GLY  42           HA2      GLY  42  58.007  -3.007  -1.778
  315   2HA   GLY  42           HA1      GLY  42  56.386  -2.337  -1.988
  316    H    LYS  43           HN       LYS  43  56.340  -0.758  -4.031
  317    HA   LYS  43           HA       LYS  43  56.695  -2.344  -6.363
  318   1HB   LYS  43           HB2      LYS  43  56.248  -0.191  -7.517
  319   2HB   LYS  43           HB1      LYS  43  55.175  -0.407  -6.135
  320   1HG   LYS  43           HG2      LYS  43  55.874   1.663  -5.520
  321   2HG   LYS  43           HG1      LYS  43  57.337   0.838  -4.980
  322   1HD   LYS  43           HD2      LYS  43  58.070   2.622  -6.396
  323   2HD   LYS  43           HD1      LYS  43  58.232   1.145  -7.347
  324   1HE   LYS  43           HE2      LYS  43  55.843   1.668  -8.214
  325   2HE   LYS  43           HE1      LYS  43  56.127   3.301  -7.581
  326   1HZ   LYS  43           HZ3      LYS  43  58.231   3.348  -8.804
  327   2HZ   LYS  43           HZ2      LYS  43  57.889   1.820  -9.464
  328   3HZ   LYS  43           HZ1      LYS  43  56.912   3.155  -9.853
  329    H    VAL  44           HN       VAL  44  58.900  -0.233  -4.646
  330    HA   VAL  44           HA       VAL  44  60.824   0.163  -6.758
  331    HB   VAL  44           HB       VAL  44  61.091   0.127  -3.730
  332   1HG1  VAL  44          HG11      VAL  44  62.952   0.725  -5.933
  333   2HG1  VAL  44          HG13      VAL  44  62.849   1.997  -4.716
  334   3HG1  VAL  44          HG12      VAL  44  63.292   0.357  -4.242
  335   1HG2  VAL  44          HG21      VAL  44  60.239   2.221  -5.731
  336   2HG2  VAL  44          HG23      VAL  44  59.430   1.733  -4.241
  337   3HG2  VAL  44          HG22      VAL  44  60.918   2.678  -4.169
  338    H    MET  45           HN       MET  45  60.389  -2.321  -4.261
  339    HA   MET  45           HA       MET  45  62.890  -3.701  -4.857
  340   1HB   MET  45           HB2      MET  45  60.405  -4.176  -3.223
  341   2HB   MET  45           HB1      MET  45  61.583  -5.473  -3.429
  342   1HG   MET  45           HG2      MET  45  62.693  -2.818  -2.705
  343   2HG   MET  45           HG1      MET  45  61.750  -3.627  -1.452
  344   1HE   MET  45           HE3      MET  45  64.335  -2.685  -1.220
  345   2HE   MET  45           HE2      MET  45  64.594  -3.914   0.016
  346   3HE   MET  45           HE1      MET  45  65.737  -3.759  -1.316
  347    H    ARG  46           HN       ARG  46  59.537  -3.921  -5.937
  348    HA   ARG  46           HA       ARG  46  59.592  -6.512  -7.126
  349   1HB   ARG  46           HB2      ARG  46  58.066  -3.954  -7.446
  350   2HB   ARG  46           HB1      ARG  46  57.839  -5.214  -8.658
  351   1HG   ARG  46           HG2      ARG  46  57.709  -6.656  -6.323
  352   2HG   ARG  46           HG1      ARG  46  56.956  -5.132  -5.850
  353   1HD   ARG  46           HD2      ARG  46  55.251  -6.676  -6.753
  354   2HD   ARG  46           HD1      ARG  46  55.456  -5.300  -7.854
  355    HE   ARG  46           HE       ARG  46  56.873  -6.737  -9.274
  356   1HH1  ARG  46          HH21      ARG  46  54.316  -8.106  -7.604
  357   2HH1  ARG  46          HH22      ARG  46  54.793  -9.752  -7.860
  358   1HH2  ARG  46          HH11      ARG  46  57.873  -8.924  -9.221
  359   2HH2  ARG  46          HH12      ARG  46  56.809 -10.215  -8.773
  360    H    MET  47           HN       MET  47  60.073  -3.322  -8.710
  361    HA   MET  47           HA       MET  47  60.964  -4.482 -11.206
  362   1HB   MET  47           HB2      MET  47  61.336  -2.175 -11.803
  363   2HB   MET  47           HB1      MET  47  59.905  -2.212 -10.773
  364   1HG   MET  47           HG2      MET  47  61.140  -1.452  -8.870
  365   2HG   MET  47           HG1      MET  47  62.683  -1.712  -9.683
  366   1HE   MET  47           HE2      MET  47  63.982   0.131 -10.323
  367   2HE   MET  47           HE1      MET  47  63.398  -0.435 -11.886
  368   3HE   MET  47           HE3      MET  47  63.477   1.299 -11.541
  369    H    LEU  48           HN       LEU  48  62.593  -3.419  -8.261
  370    HA   LEU  48           HA       LEU  48  65.267  -3.282  -9.297
  371   1HB   LEU  48           HB2      LEU  48  63.887  -3.540  -6.663
  372   2HB   LEU  48           HB1      LEU  48  65.611  -3.914  -6.706
  373    HG   LEU  48           HG       LEU  48  64.414  -1.360  -7.816
  374   1HD1  LEU  48          HD11      LEU  48  64.165  -1.628  -5.314
  375   2HD1  LEU  48          HD13      LEU  48  65.922  -1.744  -5.216
  376   3HD1  LEU  48          HD12      LEU  48  65.167  -0.261  -5.804
  377   1HD2  LEU  48          HD22      LEU  48  66.997  -2.632  -7.979
  378   2HD2  LEU  48          HD21      LEU  48  66.467  -1.119  -8.713
  379   3HD2  LEU  48          HD23      LEU  48  67.141  -1.120  -7.082
  380    H    GLY  49           HN       GLY  49  63.176  -5.957  -8.660
  381   1HA   GLY  49           HA2      GLY  49  63.797  -8.166  -9.540
  382   2HA   GLY  49           HA1      GLY  49  65.470  -7.814  -9.109
  383    H    GLN  50           HN       GLN  50  63.022  -6.892  -6.848
  384    HA   GLN  50           HA       GLN  50  63.710  -9.274  -5.155
  385   1HB   GLN  50           HB2      GLN  50  63.261  -6.388  -4.325
  386   2HB   GLN  50           HB1      GLN  50  63.743  -7.711  -3.263
  387   1HG   GLN  50           HG2      GLN  50  65.556  -7.702  -5.451
  388   2HG   GLN  50           HG1      GLN  50  65.412  -6.036  -4.890
  389   1HE2  GLN  50          HE22      GLN  50  67.795  -6.892  -2.414
  390   2HE2  GLN  50          HE21      GLN  50  67.460  -5.953  -3.789
  391    H    ASN  51           HN       ASN  51  62.019  -9.654  -3.426
  392    HA   ASN  51           HA       ASN  51  59.305  -8.642  -4.142
  393   1HB   ASN  51           HB2      ASN  51  59.689 -10.724  -5.386
  394   2HB   ASN  51           HB1      ASN  51  60.174 -11.541  -3.901
  395   1HD2  ASN  51          HD22      ASN  51  56.638 -12.453  -4.280
  396   2HD2  ASN  51          HD21      ASN  51  58.133 -12.845  -4.983
  397    HA   PRO  52           HA       PRO  52  60.278  -9.081   0.421
  398   1HB   PRO  52           HB2      PRO  52  60.049  -6.431   1.065
  399   2HB   PRO  52           HB1      PRO  52  61.577  -7.173   0.549
  400   1HG   PRO  52           HG2      PRO  52  59.662  -5.510  -1.004
  401   2HG   PRO  52           HG1      PRO  52  61.431  -5.544  -1.057
  402   1HD   PRO  52           HD2      PRO  52  59.825  -6.754  -2.913
  403   2HD   PRO  52           HD1      PRO  52  61.481  -7.279  -2.540
  404    H    THR  53           HN       THR  53  58.660  -8.955   2.079
  405    HA   THR  53           HA       THR  53  55.902  -8.695   1.082
  406    HB   THR  53           HB       THR  53  55.683  -9.288   3.704
  407    HG1  THR  53           HG1      THR  53  57.504 -10.254   4.438
  408   1HG2  THR  53          HG21      THR  53  55.078 -10.694   1.700
  409   2HG2  THR  53          HG23      THR  53  56.741 -11.278   1.681
  410   3HG2  THR  53          HG22      THR  53  55.703 -11.616   3.067
  411    HA   PRO  54           HA       PRO  54  55.006  -4.757   2.796
  412   1HB   PRO  54           HB2      PRO  54  52.625  -5.127   4.093
  413   2HB   PRO  54           HB1      PRO  54  52.769  -5.109   2.325
  414   1HG   PRO  54           HG2      PRO  54  52.547  -7.424   4.180
  415   2HG   PRO  54           HG1      PRO  54  51.830  -7.188   2.580
  416   1HD   PRO  54           HD2      PRO  54  54.036  -8.726   3.028
  417   2HD   PRO  54           HD1      PRO  54  53.710  -7.903   1.487
  418    H    GLU  55           HN       GLU  55  54.222  -7.262   5.244
  419    HA   GLU  55           HA       GLU  55  54.642  -5.633   7.546
  420   1HB   GLU  55           HB2      GLU  55  54.405  -8.488   6.823
  421   2HB   GLU  55           HB1      GLU  55  55.294  -8.188   8.316
  422   1HG   GLU  55           HG2      GLU  55  53.271  -6.527   8.781
  423   2HG   GLU  55           HG1      GLU  55  52.433  -7.608   7.667
  424    H    GLU  56           HN       GLU  56  56.901  -7.212   5.388
  425    HA   GLU  56           HA       GLU  56  59.168  -6.998   7.263
  426   1HB   GLU  56           HB2      GLU  56  58.511  -8.180   4.642
  427   2HB   GLU  56           HB1      GLU  56  60.164  -7.576   4.761
  428   1HG   GLU  56           HG2      GLU  56  60.124  -8.830   7.088
  429   2HG   GLU  56           HG1      GLU  56  58.827  -9.753   6.328
  430    H    LEU  57           HN       LEU  57  58.087  -5.439   4.240
  431    HA   LEU  57           HA       LEU  57  60.141  -3.749   3.567
  432   1HB   LEU  57           HB2      LEU  57  57.507  -3.994   2.974
  433   2HB   LEU  57           HB1      LEU  57  57.475  -2.468   3.856
  434    HG   LEU  57           HG       LEU  57  59.692  -2.191   2.220
  435   1HD1  LEU  57          HD11      LEU  57  57.465  -3.570   0.687
  436   2HD1  LEU  57          HD13      LEU  57  58.878  -2.801  -0.038
  437   3HD1  LEU  57          HD12      LEU  57  59.076  -4.228   0.981
  438   1HD2  LEU  57          HD21      LEU  57  57.062  -1.063   2.560
  439   2HD2  LEU  57          HD23      LEU  57  58.523  -0.281   1.958
  440   3HD2  LEU  57          HD22      LEU  57  57.451  -1.124   0.840
  441    H    GLN  58           HN       GLN  58  57.598  -2.665   5.851
  442    HA   GLN  58           HA       GLN  58  58.963  -0.365   6.792
  443   1HB   GLN  58           HB2      GLN  58  56.518  -1.390   7.068
  444   2HB   GLN  58           HB1      GLN  58  57.190  -1.971   8.591
  445   1HG   GLN  58           HG2      GLN  58  57.106   0.906   7.641
  446   2HG   GLN  58           HG1      GLN  58  56.168   0.207   8.961
  447   1HE2  GLN  58          HE22      GLN  58  59.932   1.474   9.667
  448   2HE2  GLN  58          HE21      GLN  58  59.155   1.729   8.179
  449    H    GLU  59           HN       GLU  59  58.535  -3.403   8.648
  450    HA   GLU  59           HA       GLU  59  60.247  -2.983  10.761
  451   1HB   GLU  59           HB2      GLU  59  58.822  -5.015  10.077
  452   2HB   GLU  59           HB1      GLU  59  60.238  -5.554   9.174
  453   1HG   GLU  59           HG2      GLU  59  61.196  -4.794  11.716
  454   2HG   GLU  59           HG1      GLU  59  59.729  -5.729  12.014
  455    H    MET  60           HN       MET  60  61.237  -4.001   7.482
  456    HA   MET  60           HA       MET  60  64.022  -4.356   8.081
  457   1HB   MET  60           HB2      MET  60  62.295  -4.735   5.963
  458   2HB   MET  60           HB1      MET  60  63.316  -3.419   5.384
  459   1HG   MET  60           HG2      MET  60  64.573  -5.270   4.742
  460   2HG   MET  60           HG1      MET  60  65.269  -4.922   6.324
  461   1HE   MET  60           HE1      MET  60  66.227  -7.177   5.958
  462   2HE   MET  60           HE3      MET  60  65.879  -7.107   7.691
  463   3HE   MET  60           HE2      MET  60  65.534  -8.573   6.779
  464    H    ILE  61           HN       ILE  61  62.103  -1.506   7.275
  465    HA   ILE  61           HA       ILE  61  64.529   0.166   6.943
  466    HB   ILE  61           HB       ILE  61  61.569   0.838   6.884
  467   1HG1  ILE  61          HG12      ILE  61  63.234   0.577   4.416
  468   2HG1  ILE  61          HG11      ILE  61  62.711  -0.911   5.205
  469   1HG2  ILE  61          HG23      ILE  61  63.772   2.520   6.982
  470   2HG2  ILE  61          HG22      ILE  61  63.436   2.399   5.256
  471   3HG2  ILE  61          HG21      ILE  61  62.179   2.954   6.360
  472   1HD1  ILE  61          HD13      ILE  61  60.379   0.413   5.263
  473   2HD1  ILE  61          HD12      ILE  61  61.086   1.184   3.844
  474   3HD1  ILE  61          HD11      ILE  61  60.864  -0.565   3.877
  475    H    ASP  62           HN       ASP  62  62.713  -0.959   9.521
  476    HA   ASP  62           HA       ASP  62  63.110   1.541  11.121
  477   1HB   ASP  62           HB2      ASP  62  60.927  -0.093  10.758
  478   2HB   ASP  62           HB1      ASP  62  61.606  -0.731  12.257
  479    H    GLU  63           HN       GLU  63  64.655  -1.331  10.460
  480    HA   GLU  63           HA       GLU  63  65.629  -1.732  13.254
  481   1HB   GLU  63           HB2      GLU  63  65.545  -3.342  10.710
  482   2HB   GLU  63           HB1      GLU  63  66.646  -3.798  12.011
  483   1HG   GLU  63           HG2      GLU  63  63.690  -3.329  12.458
  484   2HG   GLU  63           HG1      GLU  63  64.359  -4.916  12.077
  485    H    VAL  64           HN       VAL  64  66.672  -0.803  10.010
  486    HA   VAL  64           HA       VAL  64  69.504  -0.640  10.919
  487    HB   VAL  64           HB       VAL  64  68.633  -1.705   8.724
  488   1HG1  VAL  64          HG12      VAL  64  67.269   0.568   8.383
  489   2HG1  VAL  64          HG11      VAL  64  68.764   1.053   7.583
  490   3HG1  VAL  64          HG13      VAL  64  67.874  -0.357   7.010
  491   1HG2  VAL  64          HG21      VAL  64  70.969  -0.098   9.314
  492   2HG2  VAL  64          HG23      VAL  64  70.851  -1.566   8.345
  493   3HG2  VAL  64          HG22      VAL  64  70.573   0.006   7.599
  494    H    ASP  65           HN       ASP  65  66.735   1.362  10.207
  495    HA   ASP  65           HA       ASP  65  67.957   3.843   9.578
  496   1HB   ASP  65           HB2      ASP  65  65.419   2.801  10.143
  497   2HB   ASP  65           HB1      ASP  65  65.660   4.051  11.364
  498    H    GLU  66           HN       GLU  66  69.598   4.739  10.787
  499    HA   GLU  66           HA       GLU  66  69.617   4.397  13.738
  500   1HB   GLU  66           HB2      GLU  66  71.528   4.343  11.763
  501   2HB   GLU  66           HB1      GLU  66  71.713   5.980  12.393
  502   1HG   GLU  66           HG2      GLU  66  72.927   5.081  14.068
  503   2HG   GLU  66           HG1      GLU  66  71.418   4.399  14.675
  504    H    ASP  67           HN       ASP  67  68.071   6.460  11.743
  505    HA   ASP  67           HA       ASP  67  68.647   8.876  13.425
  506   1HB   ASP  67           HB2      ASP  67  67.689  10.074  11.415
  507   2HB   ASP  67           HB1      ASP  67  69.166   9.171  11.074
  508    H    GLY  68           HN       GLY  68  66.251   6.546  12.510
  509   1HA   GLY  68           HA2      GLY  68  64.059   6.243  13.306
  510   2HA   GLY  68           HA1      GLY  68  64.366   7.548  14.454
  511    H    SER  69           HN       SER  69  64.861   8.108  11.052
  512    HA   SER  69           HA       SER  69  62.897  10.270  11.060
  513   1HB   SER  69           HB2      SER  69  63.677  10.331   8.611
  514   2HB   SER  69           HB1      SER  69  64.924  10.559   9.832
  515    HG   SER  69           HG       SER  69  65.315   8.966   8.077
  516    H    GLY  70           HN       GLY  70  63.210   7.191   9.244
  517   1HA   GLY  70           HA2      GLY  70  61.174   5.760   9.058
  518   2HA   GLY  70           HA1      GLY  70  60.239   7.246   8.890
  519    H    THR  71           HN       THR  71  63.141   7.609   7.261
  520    HA   THR  71           HA       THR  71  61.886   6.739   4.676
  521    HB   THR  71           HB       THR  71  63.255   8.750   3.802
  522    HG1  THR  71           HG1      THR  71  63.686  10.283   5.450
  523   1HG2  THR  71          HG22      THR  71  60.718   8.594   4.349
  524   2HG2  THR  71          HG21      THR  71  61.125   9.552   5.772
  525   3HG2  THR  71          HG23      THR  71  61.436  10.193   4.160
  526    H    VAL  72           HN       VAL  72  63.583   6.341   2.942
  527    HA   VAL  72           HA       VAL  72  66.048   5.143   4.156
  528    HB   VAL  72           HB       VAL  72  64.780   4.371   1.528
  529   1HG1  VAL  72          HG12      VAL  72  67.092   3.604   2.782
  530   2HG1  VAL  72          HG11      VAL  72  65.959   2.371   3.335
  531   3HG1  VAL  72          HG13      VAL  72  66.217   2.621   1.609
  532   1HG2  VAL  72          HG21      VAL  72  63.678   4.033   4.218
  533   2HG2  VAL  72          HG23      VAL  72  62.924   3.720   2.655
  534   3HG2  VAL  72          HG22      VAL  72  63.942   2.490   3.405
  535    H    ASP  73           HN       ASP  73  67.655   6.673   3.769
  536    HA   ASP  73           HA       ASP  73  67.704   8.149   1.200
  537   1HB   ASP  73           HB2      ASP  73  68.309   8.763   3.796
  538   2HB   ASP  73           HB1      ASP  73  69.912   8.394   3.158
  539    H    PHE  74           HN       PHE  74  69.975   8.281   0.137
  540    HA   PHE  74           HA       PHE  74  70.776   5.860  -0.974
  541   1HB   PHE  74           HB2      PHE  74  71.419   8.321  -1.468
  542   2HB   PHE  74           HB1      PHE  74  72.719   8.073  -0.302
  543    HD1  PHE  74           HD2      PHE  74  71.238   6.714  -3.447
  544    HD2  PHE  74           HD1      PHE  74  74.694   6.915  -0.905
  545    HE1  PHE  74           HE2      PHE  74  72.583   5.567  -5.186
  546    HE2  PHE  74           HE1      PHE  74  76.039   5.768  -2.643
  547    HZ   PHE  74           HZ       PHE  74  74.984   5.093  -4.784
  548    H    ASP  75           HN       ASP  75  71.945   7.337   2.049
  549    HA   ASP  75           HA       ASP  75  74.046   5.446   2.570
  550   1HB   ASP  75           HB2      ASP  75  72.320   7.062   4.475
  551   2HB   ASP  75           HB1      ASP  75  73.923   6.413   4.823
  552    H    GLU  76           HN       GLU  76  70.960   5.707   4.366
  553    HA   GLU  76           HA       GLU  76  71.052   3.085   5.472
  554   1HB   GLU  76           HB2      GLU  76  68.777   4.985   4.825
  555   2HB   GLU  76           HB1      GLU  76  68.600   3.557   5.846
  556   1HG   GLU  76           HG2      GLU  76  69.975   4.433   7.532
  557   2HG   GLU  76           HG1      GLU  76  70.746   5.582   6.439
  558    H    PHE  77           HN       PHE  77  69.584   4.305   2.467
  559    HA   PHE  77           HA       PHE  77  68.055   2.124   1.639
  560   1HB   PHE  77           HB2      PHE  77  68.302   4.287   0.470
  561   2HB   PHE  77           HB1      PHE  77  69.949   3.852   0.013
  562    HD1  PHE  77           HD2      PHE  77  67.106   1.481   0.159
  563    HD2  PHE  77           HD1      PHE  77  69.652   3.832  -2.378
  564    HE1  PHE  77           HE2      PHE  77  66.239   0.275  -1.826
  565    HE2  PHE  77           HE1      PHE  77  68.784   2.627  -4.364
  566    HZ   PHE  77           HZ       PHE  77  67.078   0.849  -4.088
  567    H    LEU  78           HN       LEU  78  71.579   2.567   1.135
  568    HA   LEU  78           HA       LEU  78  71.942  -0.013  -0.131
  569   1HB   LEU  78           HB2      LEU  78  73.628   2.195   0.995
  570   2HB   LEU  78           HB1      LEU  78  74.401   0.650   0.638
  571    HG   LEU  78           HG       LEU  78  72.819   2.363  -1.301
  572   1HD1  LEU  78          HD12      LEU  78  75.741   1.718  -0.921
  573   2HD1  LEU  78          HD11      LEU  78  75.119   2.215  -2.494
  574   3HD1  LEU  78          HD13      LEU  78  74.979   3.297  -1.109
  575   1HD2  LEU  78          HD21      LEU  78  73.740  -0.474  -1.365
  576   2HD2  LEU  78          HD23      LEU  78  72.341   0.270  -2.141
  577   3HD2  LEU  78          HD22      LEU  78  73.947   0.467  -2.842
  578    H    VAL  79           HN       VAL  79  72.726   1.205   3.154
  579    HA   VAL  79           HA       VAL  79  73.801  -1.097   4.307
  580    HB   VAL  79           HB       VAL  79  71.846   0.945   5.417
  581   1HG1  VAL  79          HG12      VAL  79  72.089  -1.227   6.748
  582   2HG1  VAL  79          HG11      VAL  79  73.778  -0.777   6.986
  583   3HG1  VAL  79          HG13      VAL  79  72.493   0.256   7.613
  584   1HG2  VAL  79          HG22      VAL  79  73.959   1.856   4.495
  585   2HG2  VAL  79          HG21      VAL  79  73.898   2.029   6.250
  586   3HG2  VAL  79          HG23      VAL  79  74.876   0.753   5.523
  587    H    MET  80           HN       MET  80  70.330  -0.287   3.959
  588    HA   MET  80           HA       MET  80  69.256  -2.586   5.243
  589   1HB   MET  80           HB2      MET  80  68.371  -0.317   3.892
  590   2HB   MET  80           HB1      MET  80  67.789  -1.645   2.887
  591   1HG   MET  80           HG2      MET  80  67.372  -2.310   5.652
  592   2HG   MET  80           HG1      MET  80  66.686  -0.717   5.331
  593   1HE   MET  80           HE2      MET  80  65.909  -0.234   3.092
  594   2HE   MET  80           HE1      MET  80  65.540  -1.430   1.851
  595   3HE   MET  80           HE3      MET  80  64.253  -0.802   2.893
  596    H    MET  81           HN       MET  81  70.356  -2.069   1.907
  597    HA   MET  81           HA       MET  81  69.475  -4.647   0.914
  598   1HB   MET  81           HB2      MET  81  71.261  -2.392   0.045
  599   2HB   MET  81           HB1      MET  81  71.298  -3.908  -0.859
  600   1HG   MET  81           HG2      MET  81  68.594  -3.487  -0.556
  601   2HG   MET  81           HG1      MET  81  69.204  -1.843  -0.748
  602   1HE   MET  81           HE2      MET  81  67.411  -2.258  -2.342
  603   2HE   MET  81           HE1      MET  81  67.993  -1.910  -3.968
  604   3HE   MET  81           HE3      MET  81  67.390  -3.524  -3.567
  605    H    VAL  82           HN       VAL  82  72.822  -3.428   1.350
  606    HA   VAL  82           HA       VAL  82  74.195  -5.856   1.199
  607    HB   VAL  82           HB       VAL  82  75.321  -3.726   1.313
  608   1HG1  VAL  82          HG13      VAL  82  73.406  -3.083   3.194
  609   2HG1  VAL  82          HG12      VAL  82  74.868  -3.215   4.171
  610   3HG1  VAL  82          HG11      VAL  82  74.816  -2.098   2.809
  611   1HG2  VAL  82          HG21      VAL  82  76.107  -5.923   2.787
  612   2HG2  VAL  82          HG23      VAL  82  77.112  -4.509   2.467
  613   3HG2  VAL  82          HG22      VAL  82  76.200  -4.619   3.972
  614    H    ARG  83           HN       ARG  83  72.262  -4.600   3.860
  615    HA   ARG  83           HA       ARG  83  73.194  -6.253   5.980
  616   1HB   ARG  83           HB2      ARG  83  70.776  -4.694   5.244
  617   2HB   ARG  83           HB1      ARG  83  70.542  -5.920   6.490
  618   1HG   ARG  83           HG2      ARG  83  72.985  -4.589   7.075
  619   2HG   ARG  83           HG1      ARG  83  71.781  -3.345   6.737
  620   1HD   ARG  83           HD2      ARG  83  70.216  -4.640   8.313
  621   2HD   ARG  83           HD1      ARG  83  71.663  -5.527   8.832
  622    HE   ARG  83           HE       ARG  83  72.308  -2.763   8.842
  623   1HH1  ARG  83          HH21      ARG  83  69.379  -3.577  10.007
  624   2HH1  ARG  83          HH22      ARG  83  69.733  -3.349  11.687
  625   1HH2  ARG  83          HH11      ARG  83  73.155  -3.077  11.206
  626   2HH2  ARG  83          HH12      ARG  83  71.869  -3.068  12.366
  627    H    CYS  84           HN       CYS  84  70.511  -6.804   3.669
  628    HA   CYS  84           HA       CYS  84  69.957  -9.484   4.648
  629   1HB   CYS  84           HB2      CYS  84  68.913  -7.528   2.813
  630   2HB   CYS  84           HB1      CYS  84  69.007  -9.089   1.998
  631    HG   CYS  84           HG       CYS  84  66.974  -9.693   3.268
  632    H    MET  85           HN       MET  85  72.217  -8.141   2.363
  633    HA   MET  85           HA       MET  85  72.593 -10.480   0.712
  634   1HB   MET  85           HB2      MET  85  74.423  -8.163   1.426
  635   2HB   MET  85           HB1      MET  85  74.653  -9.255   0.060
  636   1HG   MET  85           HG2      MET  85  72.120  -8.519  -0.437
  637   2HG   MET  85           HG1      MET  85  72.651  -7.078   0.430
  638   1HE   MET  85           HE1      MET  85  73.011  -5.342  -0.634
  639   2HE   MET  85           HE3      MET  85  73.871  -5.018  -2.147
  640   3HE   MET  85           HE2      MET  85  72.235  -5.672  -2.181
  641    H    LYS  86           HN       LYS  86  74.001  -9.399   3.780
  642    HA   LYS  86           HA       LYS  86  76.195 -11.229   3.910
  643   1HB   LYS  86           HB2      LYS  86  74.537  -9.585   5.772
  644   2HB   LYS  86           HB1      LYS  86  75.564 -10.827   6.490
  645   1HG   LYS  86           HG2      LYS  86  77.502  -9.891   5.204
  646   2HG   LYS  86           HG1      LYS  86  76.453  -8.580   4.660
  647   1HD   LYS  86           HD2      LYS  86  76.115  -7.811   6.921
  648   2HD   LYS  86           HD1      LYS  86  76.931  -9.228   7.580
  649   1HE   LYS  86           HE2      LYS  86  78.753  -8.062   5.745
  650   2HE   LYS  86           HE1      LYS  86  78.103  -6.736   6.728
  651   1HZ   LYS  86           HZ3      LYS  86  79.132  -9.314   7.790
  652   2HZ   LYS  86           HZ2      LYS  86  79.965  -7.834   7.841
  653   3HZ   LYS  86           HZ1      LYS  86  78.521  -8.031   8.716
  654    H    ASP  87           HN       ASP  87  72.759 -11.663   4.419
  655    HA   ASP  87           HA       ASP  87  72.735 -13.979   6.060
  656   1HB   ASP  87           HB2      ASP  87  70.894 -12.385   5.000
  657   2HB   ASP  87           HB1      ASP  87  70.839 -13.639   3.762
  658    H    ASP  88           HN       ASP  88  73.009 -13.681   2.511
  659    HA   ASP  88           HA       ASP  88  73.684 -15.267   0.893
  660   1HB   ASP  88           HB2      ASP  88  75.167 -15.793   3.421
  661   2HB   ASP  88           HB1      ASP  88  75.260 -17.045   2.182
  662    H    SER  89           HN       SER  89  71.113 -15.767   1.722
  663    HA   SER  89           HA       SER  89  69.504 -17.498   1.764
  664   1HB   SER  89           HB2      SER  89  71.131 -18.216  -0.074
  665   2HB   SER  89           HB1      SER  89  71.882 -19.264   1.126
  666    HG   SER  89           HG       SER  89  69.467 -19.487  -0.188
   
  No H/Q in entry =         666
  Start of MODEL   11
    1   1H    MET   1           HT2      MET   1  81.914  -5.231  17.487
    2   2H    MET   1           HT1      MET   1  83.505  -5.607  17.949
    3   3H    MET   1           HT3      MET   1  82.902  -4.039  18.182
    4    HA   MET   1           HA       MET   1  84.111  -3.700  16.274
    5   1HB   MET   1           HB2      MET   1  84.033  -6.511  16.389
    6   2HB   MET   1           HB1      MET   1  83.410  -6.097  14.792
    7   1HG   MET   1           HG2      MET   1  85.874  -4.717  15.809
    8   2HG   MET   1           HG1      MET   1  86.006  -6.348  15.151
    9   1HE   MET   1           HE2      MET   1  87.674  -4.851  14.083
   10   2HE   MET   1           HE1      MET   1  87.472  -4.578  12.353
   11   3HE   MET   1           HE3      MET   1  87.215  -3.254  13.498
   12    H    ASP   2           HN       ASP   2  81.824  -2.472  16.517
   13    HA   ASP   2           HA       ASP   2  79.677  -3.242  14.747
   14   1HB   ASP   2           HB2      ASP   2  79.895  -1.579  16.799
   15   2HB   ASP   2           HB1      ASP   2  80.270  -0.407  15.535
   16    H    ASP   3           HN       ASP   3  79.215  -0.854  13.302
   17    HA   ASP   3           HA       ASP   3  79.780   0.211  11.267
   18   1HB   ASP   3           HB2      ASP   3  82.205  -0.112  12.859
   19   2HB   ASP   3           HB1      ASP   3  82.556  -0.098  11.131
   20    H    ILE   4           HN       ILE   4  79.631  -2.908  11.653
   21    HA   ILE   4           HA       ILE   4  81.319  -4.026   9.575
   22    HB   ILE   4           HB       ILE   4  78.767  -4.987  10.913
   23   1HG1  ILE   4          HG12      ILE   4  81.637  -5.749  11.513
   24   2HG1  ILE   4          HG11      ILE   4  80.799  -4.453  12.368
   25   1HG2  ILE   4          HG22      ILE   4  80.336  -6.074   8.746
   26   2HG2  ILE   4          HG21      ILE   4  80.445  -7.134  10.152
   27   3HG2  ILE   4          HG23      ILE   4  78.868  -6.720   9.480
   28   1HD1  ILE   4          HD11      ILE   4  79.872  -7.336  12.203
   29   2HD1  ILE   4          HD13      ILE   4  80.626  -6.580  13.607
   30   3HD1  ILE   4          HD12      ILE   4  79.039  -6.038  13.057
   31    H    TYR   5           HN       TYR   5  77.773  -3.459   9.702
   32    HA   TYR   5           HA       TYR   5  77.295  -4.030   6.940
   33   1HB   TYR   5           HB2      TYR   5  75.886  -2.472   9.108
   34   2HB   TYR   5           HB1      TYR   5  75.193  -2.619   7.493
   35    HD1  TYR   5           HD2      TYR   5  76.206  -4.459  10.532
   36    HD2  TYR   5           HD1      TYR   5  74.359  -4.741   6.663
   37    HE1  TYR   5           HE2      TYR   5  75.365  -6.722  11.098
   38    HE2  TYR   5           HE1      TYR   5  73.518  -7.004   7.228
   39    HH   TYR   5           HH       TYR   5  73.325  -8.186  10.265
   40    H    LYS   6           HN       LYS   6  77.683  -0.883   8.620
   41    HA   LYS   6           HA       LYS   6  77.351   0.929   6.565
   42   1HB   LYS   6           HB2      LYS   6  78.545   0.826   9.100
   43   2HB   LYS   6           HB1      LYS   6  79.811   1.449   8.040
   44   1HG   LYS   6           HG2      LYS   6  77.746   2.913   7.129
   45   2HG   LYS   6           HG1      LYS   6  77.196   2.663   8.786
   46   1HD   LYS   6           HD2      LYS   6  78.522   4.432   9.294
   47   2HD   LYS   6           HD1      LYS   6  79.853   3.281   9.153
   48   1HE   LYS   6           HE2      LYS   6  79.544   3.921   6.537
   49   2HE   LYS   6           HE1      LYS   6  79.030   5.446   7.288
   50   1HZ   LYS   6           HZ2      LYS   6  81.039   5.172   8.774
   51   2HZ   LYS   6           HZ1      LYS   6  81.576   3.982   7.686
   52   3HZ   LYS   6           HZ3      LYS   6  81.362   5.580   7.157
   53    H    ALA   7           HN       ALA   7  80.408  -0.823   7.242
   54    HA   ALA   7           HA       ALA   7  81.859   0.178   4.992
   55   1HB   ALA   7           HB3      ALA   7  82.086  -1.796   7.101
   56   2HB   ALA   7           HB2      ALA   7  82.720  -2.446   5.589
   57   3HB   ALA   7           HB1      ALA   7  83.373  -0.945   6.244
   58    H    ALA   8           HN       ALA   8  79.756  -2.673   5.378
   59    HA   ALA   8           HA       ALA   8  80.201  -4.072   3.013
   60   1HB   ALA   8           HB2      ALA   8  78.325  -3.987   5.052
   61   2HB   ALA   8           HB1      ALA   8  77.361  -3.633   3.620
   62   3HB   ALA   8           HB3      ALA   8  78.303  -5.120   3.701
   63    H    VAL   9           HN       VAL   9  77.926  -1.321   3.405
   64    HA   VAL   9           HA       VAL   9  77.128  -1.101   0.692
   65    HB   VAL   9           HB       VAL   9  77.436   0.831   2.996
   66   1HG1  VAL   9          HG12      VAL   9  76.652   1.353   0.151
   67   2HG1  VAL   9          HG11      VAL   9  75.800   2.212   1.435
   68   3HG1  VAL   9          HG13      VAL   9  77.547   2.381   1.270
   69   1HG2  VAL   9          HG23      VAL   9  75.223  -0.753   1.718
   70   2HG2  VAL   9          HG22      VAL   9  75.639  -0.604   3.425
   71   3HG2  VAL   9          HG21      VAL   9  74.838   0.728   2.593
   72    H    GLU  10           HN       GLU  10  79.947   0.240   2.393
   73    HA   GLU  10           HA       GLU  10  80.892   1.786   0.112
   74   1HB   GLU  10           HB2      GLU  10  81.335   1.681   2.827
   75   2HB   GLU  10           HB1      GLU  10  82.803   0.937   2.194
   76   1HG   GLU  10           HG2      GLU  10  83.527   2.872   1.219
   77   2HG   GLU  10           HG1      GLU  10  81.895   3.383   0.789
   78    H    GLN  11           HN       GLN  11  81.385  -1.478   1.348
   79    HA   GLN  11           HA       GLN  11  83.746  -2.154  -0.133
   80   1HB   GLN  11           HB2      GLN  11  81.682  -3.397   1.501
   81   2HB   GLN  11           HB1      GLN  11  82.149  -4.447   0.163
   82   1HG   GLN  11           HG2      GLN  11  84.061  -4.971   1.220
   83   2HG   GLN  11           HG1      GLN  11  84.522  -3.269   1.252
   84   1HE2  GLN  11          HE21      GLN  11  85.175  -2.921   3.398
   85   2HE2  GLN  11          HE22      GLN  11  84.239  -3.312   4.760
   86    H    LEU  12           HN       LEU  12  80.378  -1.877  -1.043
   87    HA   LEU  12           HA       LEU  12  80.187  -3.534  -3.303
   88   1HB   LEU  12           HB2      LEU  12  79.128  -0.755  -2.711
   89   2HB   LEU  12           HB1      LEU  12  78.567  -1.734  -4.067
   90    HG   LEU  12           HG       LEU  12  78.511  -2.668  -1.187
   91   1HD1  LEU  12          HD12      LEU  12  76.441  -1.282  -2.894
   92   2HD1  LEU  12          HD11      LEU  12  75.981  -2.313  -1.540
   93   3HD1  LEU  12          HD13      LEU  12  76.961  -0.874  -1.259
   94   1HD2  LEU  12          HD21      LEU  12  77.532  -3.743  -3.828
   95   2HD2  LEU  12          HD23      LEU  12  78.465  -4.568  -2.579
   96   3HD2  LEU  12          HD22      LEU  12  76.753  -4.228  -2.320
   97    H    THR  13           HN       THR  13  79.949  -2.285  -5.624
   98    HA   THR  13           HA       THR  13  82.674  -1.178  -6.163
   99    HB   THR  13           HB       THR  13  81.821  -1.825  -8.571
  100    HG1  THR  13           HG1      THR  13  80.292  -3.693  -7.198
  101   1HG2  THR  13          HG21      THR  13  83.521  -3.001  -6.983
  102   2HG2  THR  13          HG23      THR  13  82.207  -4.141  -6.688
  103   3HG2  THR  13          HG22      THR  13  82.838  -3.926  -8.321
  104    H    GLU  14           HN       GLU  14  82.863   0.742  -7.449
  105    HA   GLU  14           HA       GLU  14  81.032   2.837  -6.999
  106   1HB   GLU  14           HB2      GLU  14  83.354   2.242  -8.721
  107   2HB   GLU  14           HB1      GLU  14  82.301   3.515  -9.341
  108   1HG   GLU  14           HG2      GLU  14  82.649   4.893  -7.488
  109   2HG   GLU  14           HG1      GLU  14  83.113   3.544  -6.449
  110    H    GLU  15           HN       GLU  15  81.443   0.953 -10.030
  111    HA   GLU  15           HA       GLU  15  79.301   2.102 -11.482
  112   1HB   GLU  15           HB2      GLU  15  79.403  -0.183 -12.657
  113   2HB   GLU  15           HB1      GLU  15  80.918   0.716 -12.561
  114   1HG   GLU  15           HG2      GLU  15  81.808  -0.687 -10.933
  115   2HG   GLU  15           HG1      GLU  15  80.220  -1.191 -10.356
  116    H    GLN  16           HN       GLN  16  79.261  -0.288  -8.906
  117    HA   GLN  16           HA       GLN  16  76.516  -1.170  -9.440
  118   1HB   GLN  16           HB2      GLN  16  77.999  -2.734  -8.430
  119   2HB   GLN  16           HB1      GLN  16  78.567  -1.550  -7.251
  120   1HG   GLN  16           HG2      GLN  16  76.886  -2.037  -5.826
  121   2HG   GLN  16           HG1      GLN  16  75.679  -1.905  -7.104
  122   1HE2  GLN  16          HE22      GLN  16  75.537  -5.398  -7.702
  123   2HE2  GLN  16          HE21      GLN  16  75.064  -3.859  -8.241
  124    H    LYS  17           HN       LYS  17  78.112   0.864  -6.964
  125    HA   LYS  17           HA       LYS  17  75.660   1.571  -5.612
  126   1HB   LYS  17           HB2      LYS  17  78.415   2.838  -5.747
  127   2HB   LYS  17           HB1      LYS  17  77.177   3.271  -4.566
  128   1HG   LYS  17           HG2      LYS  17  77.425   1.320  -3.387
  129   2HG   LYS  17           HG1      LYS  17  77.803   0.375  -4.827
  130   1HD   LYS  17           HD2      LYS  17  79.925   0.428  -3.996
  131   2HD   LYS  17           HD1      LYS  17  79.963   2.029  -4.738
  132   1HE   LYS  17           HE2      LYS  17  78.757   1.958  -2.034
  133   2HE   LYS  17           HE1      LYS  17  80.494   1.596  -2.094
  134   1HZ   LYS  17           HZ2      LYS  17  79.520   3.762  -3.791
  135   2HZ   LYS  17           HZ1      LYS  17  79.583   4.073  -2.122
  136   3HZ   LYS  17           HZ3      LYS  17  80.991   3.620  -2.952
  137    H    ASN  18           HN       ASN  18  77.378   2.865  -8.392
  138    HA   ASN  18           HA       ASN  18  76.088   5.453  -8.449
  139   1HB   ASN  18           HB2      ASN  18  77.859   3.768 -10.084
  140   2HB   ASN  18           HB1      ASN  18  76.806   4.809 -11.042
  141   1HD2  ASN  18          HD22      ASN  18  80.019   6.485  -9.512
  142   2HD2  ASN  18          HD21      ASN  18  79.839   4.844  -9.907
  143    H    GLU  19           HN       GLU  19  75.108   2.245  -9.372
  144    HA   GLU  19           HA       GLU  19  73.040   3.052 -11.267
  145   1HB   GLU  19           HB2      GLU  19  73.965   0.877 -11.500
  146   2HB   GLU  19           HB1      GLU  19  73.821   0.542  -9.775
  147   1HG   GLU  19           HG2      GLU  19  71.446   0.334  -9.913
  148   2HG   GLU  19           HG1      GLU  19  71.411   1.021 -11.538
  149    H    PHE  20           HN       PHE  20  73.125   2.078  -7.838
  150    HA   PHE  20           HA       PHE  20  70.332   2.075  -7.317
  151   1HB   PHE  20           HB2      PHE  20  72.755   2.769  -5.628
  152   2HB   PHE  20           HB1      PHE  20  71.144   2.510  -4.960
  153    HD1  PHE  20           HD1      PHE  20  70.165   0.313  -6.713
  154    HD2  PHE  20           HD2      PHE  20  73.984   0.903  -4.836
  155    HE1  PHE  20           HE1      PHE  20  70.550  -2.137  -6.727
  156    HE2  PHE  20           HE2      PHE  20  74.369  -1.547  -4.850
  157    HZ   PHE  20           HZ       PHE  20  72.653  -3.067  -5.795
  158    H    LYS  21           HN       LYS  21  72.649   4.741  -7.515
  159    HA   LYS  21           HA       LYS  21  71.173   6.806  -6.271
  160   1HB   LYS  21           HB2      LYS  21  73.515   6.931  -7.035
  161   2HB   LYS  21           HB1      LYS  21  72.974   6.869  -8.714
  162   1HG   LYS  21           HG2      LYS  21  71.979   9.000  -8.603
  163   2HG   LYS  21           HG1      LYS  21  71.935   8.987  -6.839
  164   1HD   LYS  21           HD2      LYS  21  74.477   8.967  -6.891
  165   2HD   LYS  21           HD1      LYS  21  74.361   9.296  -8.620
  166   1HE   LYS  21           HE2      LYS  21  72.795  11.036  -6.741
  167   2HE   LYS  21           HE1      LYS  21  74.541  11.312  -6.908
  168   1HZ   LYS  21           HZ3      LYS  21  72.724  10.986  -9.229
  169   2HZ   LYS  21           HZ2      LYS  21  73.119  12.503  -8.578
  170   3HZ   LYS  21           HZ1      LYS  21  74.333  11.518  -9.242
  171    H    ALA  22           HN       ALA  22  71.220   5.985  -9.770
  172    HA   ALA  22           HA       ALA  22  69.313   7.810 -10.695
  173   1HB   ALA  22           HB3      ALA  22  70.601   5.403 -11.533
  174   2HB   ALA  22           HB2      ALA  22  68.889   5.254 -11.926
  175   3HB   ALA  22           HB1      ALA  22  69.819   6.618 -12.545
  176    H    ALA  23           HN       ALA  23  68.546   4.419  -9.808
  177    HA   ALA  23           HA       ALA  23  65.737   4.641  -9.849
  178   1HB   ALA  23           HB3      ALA  23  67.788   2.938  -8.493
  179   2HB   ALA  23           HB2      ALA  23  66.109   2.765  -7.987
  180   3HB   ALA  23           HB1      ALA  23  66.556   2.480  -9.668
  181    H    PHE  24           HN       PHE  24  68.011   5.431  -7.221
  182    HA   PHE  24           HA       PHE  24  66.211   5.761  -5.083
  183   1HB   PHE  24           HB2      PHE  24  68.655   5.887  -4.913
  184   2HB   PHE  24           HB1      PHE  24  68.662   7.373  -5.863
  185    HD1  PHE  24           HD1      PHE  24  67.150   9.320  -4.954
  186    HD2  PHE  24           HD2      PHE  24  68.549   6.028  -2.578
  187    HE1  PHE  24           HE1      PHE  24  66.775  10.649  -2.894
  188    HE2  PHE  24           HE2      PHE  24  68.172   7.354  -0.517
  189    HZ   PHE  24           HZ       PHE  24  67.285   9.665  -0.675
  190    H    ASP  25           HN       ASP  25  67.200   8.226  -7.501
  191    HA   ASP  25           HA       ASP  25  65.440  10.279  -6.492
  192   1HB   ASP  25           HB2      ASP  25  67.097   9.732  -8.922
  193   2HB   ASP  25           HB1      ASP  25  65.905  11.029  -9.016
  194    H    ILE  26           HN       ILE  26  64.842   7.435  -8.323
  195    HA   ILE  26           HA       ILE  26  62.534   8.453  -9.801
  196    HB   ILE  26           HB       ILE  26  63.664   5.708  -9.212
  197   1HG1  ILE  26          HG12      ILE  26  63.843   7.689 -11.484
  198   2HG1  ILE  26          HG11      ILE  26  65.156   6.882 -10.627
  199   1HG2  ILE  26          HG21      ILE  26  61.129   5.865  -9.698
  200   2HG2  ILE  26          HG23      ILE  26  61.607   6.363 -11.320
  201   3HG2  ILE  26          HG22      ILE  26  62.083   4.780 -10.709
  202   1HD1  ILE  26          HD12      ILE  26  64.457   4.722 -11.600
  203   2HD1  ILE  26          HD11      ILE  26  63.158   5.539 -12.468
  204   3HD1  ILE  26          HD13      ILE  26  64.841   5.895 -12.860
  205    H    PHE  27           HN       PHE  27  63.098   6.846  -6.700
  206    HA   PHE  27           HA       PHE  27  60.304   6.153  -6.245
  207   1HB   PHE  27           HB2      PHE  27  62.547   6.516  -4.241
  208   2HB   PHE  27           HB1      PHE  27  61.147   5.450  -4.105
  209    HD1  PHE  27           HD1      PHE  27  60.933   4.060  -6.579
  210    HD2  PHE  27           HD2      PHE  27  64.500   5.269  -4.512
  211    HE1  PHE  27           HE1      PHE  27  62.200   2.250  -7.705
  212    HE2  PHE  27           HE2      PHE  27  65.765   3.459  -5.637
  213    HZ   PHE  27           HZ       PHE  27  64.616   1.949  -7.233
  214    H    VAL  28           HN       VAL  28  62.113   9.059  -6.057
  215    HA   VAL  28           HA       VAL  28  60.106  10.280  -4.204
  216    HB   VAL  28           HB       VAL  28  61.985  12.052  -4.099
  217   1HG1  VAL  28          HG12      VAL  28  62.257   9.232  -3.053
  218   2HG1  VAL  28          HG11      VAL  28  63.360  10.521  -2.571
  219   3HG1  VAL  28          HG13      VAL  28  61.639  10.651  -2.206
  220   1HG2  VAL  28          HG23      VAL  28  63.035  10.711  -6.194
  221   2HG2  VAL  28          HG22      VAL  28  64.025  11.632  -5.061
  222   3HG2  VAL  28          HG21      VAL  28  63.864   9.885  -4.874
  223    H    LEU  29           HN       LEU  29  59.842   9.788  -7.172
  224    HA   LEU  29           HA       LEU  29  60.235  11.985  -8.826
  225   1HB   LEU  29           HB2      LEU  29  58.109   9.905  -8.485
  226   2HB   LEU  29           HB1      LEU  29  57.818  11.202  -9.644
  227    HG   LEU  29           HG       LEU  29  60.211   9.339  -9.605
  228   1HD1  LEU  29          HD13      LEU  29  57.868   9.653 -11.507
  229   2HD1  LEU  29          HD12      LEU  29  59.277   8.639 -11.818
  230   3HD1  LEU  29          HD11      LEU  29  58.202   8.264 -10.472
  231   1HD2  LEU  29          HD21      LEU  29  59.727  11.956 -10.851
  232   2HD2  LEU  29          HD23      LEU  29  61.242  11.080 -10.635
  233   3HD2  LEU  29          HD22      LEU  29  60.199  10.711 -12.007
  234    H    GLY  30           HN       GLY  30  57.383  11.496  -6.701
  235   1HA   GLY  30           HA2      GLY  30  56.808  14.411  -6.965
  236   2HA   GLY  30           HA1      GLY  30  55.630  13.193  -6.475
  237    H    ALA  31           HN       ALA  31  58.538  12.497  -4.980
  238    HA   ALA  31           HA       ALA  31  57.709  12.816  -2.342
  239   1HB   ALA  31           HB2      ALA  31  60.432  13.096  -3.644
  240   2HB   ALA  31           HB1      ALA  31  60.211  12.966  -1.899
  241   3HB   ALA  31           HB3      ALA  31  59.724  11.636  -2.951
  242    H    GLU  32           HN       GLU  32  58.724  14.477  -0.738
  243    HA   GLU  32           HA       GLU  32  58.241  17.213  -1.836
  244   1HB   GLU  32           HB2      GLU  32  57.705  17.763   0.475
  245   2HB   GLU  32           HB1      GLU  32  56.858  16.276   0.044
  246   1HG   GLU  32           HG2      GLU  32  59.138  15.193   0.961
  247   2HG   GLU  32           HG1      GLU  32  59.144  16.680   1.910
  248    H    ASP  33           HN       ASP  33  60.633  15.197  -0.231
  249    HA   ASP  33           HA       ASP  33  62.544  17.509  -0.300
  250   1HB   ASP  33           HB2      ASP  33  63.552  16.502   1.706
  251   2HB   ASP  33           HB1      ASP  33  61.830  16.783   1.974
  252    H    GLY  34           HN       GLY  34  62.069  14.025  -0.763
  253   1HA   GLY  34           HA2      GLY  34  63.252  13.107  -2.801
  254   2HA   GLY  34           HA1      GLY  34  64.684  13.957  -2.219
  255    H    CYS  35           HN       CYS  35  62.300  11.952  -0.466
  256    HA   CYS  35           HA       CYS  35  64.583  10.190   0.372
  257   1HB   CYS  35           HB2      CYS  35  62.530  11.709   1.823
  258   2HB   CYS  35           HB1      CYS  35  62.640  10.026   2.336
  259    HG   CYS  35           HG       CYS  35  65.174  11.865   2.278
  260    H    ILE  36           HN       ILE  36  64.085   7.935   0.549
  261    HA   ILE  36           HA       ILE  36  61.605   7.113  -0.914
  262    HB   ILE  36           HB       ILE  36  63.895   5.264  -0.336
  263   1HG1  ILE  36          HG12      ILE  36  63.988   7.408  -2.488
  264   2HG1  ILE  36          HG11      ILE  36  64.964   7.420  -1.018
  265   1HG2  ILE  36          HG23      ILE  36  61.662   5.530  -2.211
  266   2HG2  ILE  36          HG22      ILE  36  63.185   5.152  -3.017
  267   3HG2  ILE  36          HG21      ILE  36  62.573   4.093  -1.747
  268   1HD1  ILE  36          HD11      ILE  36  65.057   4.905  -2.578
  269   2HD1  ILE  36          HD13      ILE  36  65.790   6.308  -3.357
  270   3HD1  ILE  36          HD12      ILE  36  66.359   5.781  -1.774
  271    H    SER  37           HN       SER  37  60.405   7.401   1.186
  272    HA   SER  37           HA       SER  37  60.985   5.950   3.567
  273   1HB   SER  37           HB2      SER  37  58.468   7.002   2.269
  274   2HB   SER  37           HB1      SER  37  58.450   6.260   3.865
  275    HG   SER  37           HG       SER  37  60.128   8.418   3.093
  276    H    THR  38           HN       THR  38  59.023   4.289   4.257
  277    HA   THR  38           HA       THR  38  59.531   1.880   2.702
  278    HB   THR  38           HB       THR  38  59.359   1.796   5.110
  279    HG1  THR  38           HG1      THR  38  58.001   0.125   5.225
  280   1HG2  THR  38          HG21      THR  38  56.864   3.345   4.576
  281   2HG2  THR  38          HG23      THR  38  56.899   2.290   5.988
  282   3HG2  THR  38          HG22      THR  38  58.087   3.583   5.824
  283    H    LYS  39           HN       LYS  39  56.922   4.231   2.926
  284    HA   LYS  39           HA       LYS  39  54.767   2.763   1.830
  285   1HB   LYS  39           HB2      LYS  39  53.993   5.030   1.121
  286   2HB   LYS  39           HB1      LYS  39  54.613   5.024   2.773
  287   1HG   LYS  39           HG2      LYS  39  56.892   5.644   1.668
  288   2HG   LYS  39           HG1      LYS  39  55.906   6.110   0.281
  289   1HD   LYS  39           HD2      LYS  39  54.585   7.617   1.719
  290   2HD   LYS  39           HD1      LYS  39  55.567   7.153   3.109
  291   1HE   LYS  39           HE2      LYS  39  57.060   8.760   2.552
  292   2HE   LYS  39           HE1      LYS  39  57.355   7.928   1.012
  293   1HZ   LYS  39           HZ2      LYS  39  55.232   8.956   0.220
  294   2HZ   LYS  39           HZ1      LYS  39  55.247   9.927   1.614
  295   3HZ   LYS  39           HZ3      LYS  39  56.498  10.059   0.478
  296    H    GLU  40           HN       GLU  40  57.414   4.502   0.184
  297    HA   GLU  40           HA       GLU  40  56.486   3.353  -2.419
  298   1HB   GLU  40           HB2      GLU  40  57.002   5.908  -1.745
  299   2HB   GLU  40           HB1      GLU  40  58.629   5.417  -2.213
  300   1HG   GLU  40           HG2      GLU  40  58.028   5.728  -4.360
  301   2HG   GLU  40           HG1      GLU  40  56.934   4.355  -4.190
  302    H    LEU  41           HN       LEU  41  57.897   1.672  -0.534
  303    HA   LEU  41           HA       LEU  41  60.549   1.386  -1.912
  304   1HB   LEU  41           HB2      LEU  41  59.695   1.468   0.875
  305   2HB   LEU  41           HB1      LEU  41  60.608   0.001   0.522
  306    HG   LEU  41           HG       LEU  41  61.488   2.858   0.018
  307   1HD1  LEU  41          HD11      LEU  41  61.697   1.991   2.347
  308   2HD1  LEU  41          HD13      LEU  41  62.667   0.652   1.733
  309   3HD1  LEU  41          HD12      LEU  41  63.264   2.307   1.601
  310   1HD2  LEU  41          HD23      LEU  41  62.201   0.412  -1.338
  311   2HD2  LEU  41          HD22      LEU  41  62.801   2.045  -1.624
  312   3HD2  LEU  41          HD21      LEU  41  63.591   1.011  -0.434
  313    H    GLY  42           HN       GLY  42  57.902  -0.442  -0.327
  314   1HA   GLY  42           HA2      GLY  42  58.621  -3.056  -0.916
  315   2HA   GLY  42           HA1      GLY  42  56.945  -2.501  -0.990
  316    H    LYS  43           HN       LYS  43  56.661  -1.000  -3.109
  317    HA   LYS  43           HA       LYS  43  56.823  -2.730  -5.372
  318   1HB   LYS  43           HB2      LYS  43  56.472   0.258  -5.005
  319   2HB   LYS  43           HB1      LYS  43  56.311  -0.528  -6.576
  320   1HG   LYS  43           HG2      LYS  43  54.170  -0.982  -6.044
  321   2HG   LYS  43           HG1      LYS  43  54.776  -2.085  -4.807
  322   1HD   LYS  43           HD2      LYS  43  54.314  -0.638  -3.113
  323   2HD   LYS  43           HD1      LYS  43  54.836   0.766  -4.044
  324   1HE   LYS  43           HE2      LYS  43  52.265  -0.667  -4.731
  325   2HE   LYS  43           HE1      LYS  43  52.309   0.602  -3.489
  326   1HZ   LYS  43           HZ2      LYS  43  53.392   2.070  -5.075
  327   2HZ   LYS  43           HZ1      LYS  43  53.327   0.865  -6.271
  328   3HZ   LYS  43           HZ3      LYS  43  51.892   1.551  -5.680
  329    H    VAL  44           HN       VAL  44  58.914  -0.064  -4.275
  330    HA   VAL  44           HA       VAL  44  60.663   0.069  -6.517
  331    HB   VAL  44           HB       VAL  44  61.017   0.552  -3.544
  332   1HG1  VAL  44          HG12      VAL  44  62.955   0.636  -5.767
  333   2HG1  VAL  44          HG11      VAL  44  62.892   2.111  -4.802
  334   3HG1  VAL  44          HG13      VAL  44  63.240   0.565  -4.029
  335   1HG2  VAL  44          HG21      VAL  44  60.384   2.277  -5.949
  336   2HG2  VAL  44          HG23      VAL  44  59.421   2.058  -4.489
  337   3HG2  VAL  44          HG22      VAL  44  60.935   2.962  -4.420
  338    H    MET  45           HN       MET  45  61.058  -1.754  -3.449
  339    HA   MET  45           HA       MET  45  63.455  -3.098  -4.015
  340   1HB   MET  45           HB2      MET  45  60.982  -3.590  -2.420
  341   2HB   MET  45           HB1      MET  45  62.064  -4.964  -2.645
  342   1HG   MET  45           HG2      MET  45  63.447  -2.458  -1.955
  343   2HG   MET  45           HG1      MET  45  62.362  -3.047  -0.696
  344   1HE   MET  45           HE1      MET  45  65.312  -2.850  -2.281
  345   2HE   MET  45           HE3      MET  45  66.230  -3.420  -0.881
  346   3HE   MET  45           HE2      MET  45  66.184  -4.378  -2.359
  347    H    ARG  46           HN       ARG  46  60.165  -3.812  -5.125
  348    HA   ARG  46           HA       ARG  46  60.845  -6.342  -6.389
  349   1HB   ARG  46           HB2      ARG  46  58.564  -4.761  -5.764
  350   2HB   ARG  46           HB1      ARG  46  58.535  -5.029  -7.507
  351   1HG   ARG  46           HG2      ARG  46  58.808  -7.458  -7.136
  352   2HG   ARG  46           HG1      ARG  46  58.818  -7.187  -5.393
  353   1HD   ARG  46           HD2      ARG  46  56.532  -6.232  -5.526
  354   2HD   ARG  46           HD1      ARG  46  56.517  -6.539  -7.274
  355    HE   ARG  46           HE       ARG  46  57.090  -8.821  -5.451
  356   1HH1  ARG  46          HH21      ARG  46  56.500  -8.973  -8.451
  357   2HH1  ARG  46          HH22      ARG  46  54.869  -9.555  -8.435
  358   1HH2  ARG  46          HH11      ARG  46  54.350  -8.796  -5.092
  359   2HH2  ARG  46          HH12      ARG  46  53.650  -9.452  -6.535
  360    H    MET  47           HN       MET  47  60.399  -2.987  -7.538
  361    HA   MET  47           HA       MET  47  60.682  -3.363 -10.312
  362   1HB   MET  47           HB2      MET  47  61.746  -1.168  -8.502
  363   2HB   MET  47           HB1      MET  47  61.530  -1.017 -10.245
  364   1HG   MET  47           HG2      MET  47  59.072  -1.968  -9.405
  365   2HG   MET  47           HG1      MET  47  59.536  -0.875  -8.100
  366   1HE   MET  47           HE1      MET  47  60.766   1.344  -8.622
  367   2HE   MET  47           HE3      MET  47  61.577   0.959 -10.146
  368   3HE   MET  47           HE2      MET  47  60.500   2.349 -10.044
  369    H    LEU  48           HN       LEU  48  63.323  -2.568  -8.011
  370    HA   LEU  48           HA       LEU  48  65.523  -2.801  -9.718
  371   1HB   LEU  48           HB2      LEU  48  65.074  -3.569  -6.822
  372   2HB   LEU  48           HB1      LEU  48  66.677  -3.568  -7.560
  373    HG   LEU  48           HG       LEU  48  64.796  -1.204  -7.309
  374   1HD1  LEU  48          HD13      LEU  48  66.278  -2.065  -5.340
  375   2HD1  LEU  48          HD12      LEU  48  67.618  -1.410  -6.281
  376   3HD1  LEU  48          HD11      LEU  48  66.319  -0.349  -5.739
  377   1HD2  LEU  48          HD21      LEU  48  67.028  -1.762  -9.131
  378   2HD2  LEU  48          HD23      LEU  48  65.820  -0.478  -9.198
  379   3HD2  LEU  48          HD22      LEU  48  67.257  -0.284  -8.196
  380    H    GLY  49           HN       GLY  49  64.656  -5.451  -7.489
  381   1HA   GLY  49           HA2      GLY  49  64.245  -7.526  -9.316
  382   2HA   GLY  49           HA1      GLY  49  65.995  -7.437  -9.102
  383    H    GLN  50           HN       GLN  50  63.577  -6.714  -6.625
  384    HA   GLN  50           HA       GLN  50  64.560  -9.101  -5.091
  385   1HB   GLN  50           HB2      GLN  50  63.768  -6.331  -4.129
  386   2HB   GLN  50           HB1      GLN  50  64.327  -7.649  -3.099
  387   1HG   GLN  50           HG2      GLN  50  66.219  -7.376  -5.204
  388   2HG   GLN  50           HG1      GLN  50  65.899  -5.757  -4.579
  389   1HE2  GLN  50          HE22      GLN  50  68.549  -7.453  -2.477
  390   2HE2  GLN  50          HE21      GLN  50  68.408  -7.170  -4.144
  391    H    ASN  51           HN       ASN  51  62.885  -9.489  -3.177
  392    HA   ASN  51           HA       ASN  51  60.081  -8.954  -3.995
  393   1HB   ASN  51           HB2      ASN  51  61.191 -11.081  -5.072
  394   2HB   ASN  51           HB1      ASN  51  60.964 -11.785  -3.470
  395   1HD2  ASN  51          HD22      ASN  51  57.882 -12.313  -5.628
  396   2HD2  ASN  51          HD21      ASN  51  59.529 -12.614  -5.906
  397    HA   PRO  52           HA       PRO  52  61.057  -9.302   0.589
  398   1HB   PRO  52           HB2      PRO  52  60.564  -6.691   1.244
  399   2HB   PRO  52           HB1      PRO  52  62.164  -7.278   0.749
  400   1HG   PRO  52           HG2      PRO  52  60.120  -5.798  -0.826
  401   2HG   PRO  52           HG1      PRO  52  61.886  -5.658  -0.848
  402   1HD   PRO  52           HD2      PRO  52  60.443  -7.005  -2.743
  403   2HD   PRO  52           HD1      PRO  52  62.134  -7.373  -2.336
  404    H    THR  53           HN       THR  53  59.421  -9.138   2.299
  405    HA   THR  53           HA       THR  53  56.659  -9.216   1.234
  406    HB   THR  53           HB       THR  53  56.614  -9.736   3.959
  407    HG1  THR  53           HG1      THR  53  58.861 -11.114   3.098
  408   1HG2  THR  53          HG23      THR  53  57.094 -11.552   1.588
  409   2HG2  THR  53          HG22      THR  53  56.723 -12.151   3.204
  410   3HG2  THR  53          HG21      THR  53  55.550 -11.155   2.342
  411    HA   PRO  54           HA       PRO  54  55.329  -5.415   2.979
  412   1HB   PRO  54           HB2      PRO  54  53.086  -6.048   4.418
  413   2HB   PRO  54           HB1      PRO  54  53.130  -6.047   2.643
  414   1HG   PRO  54           HG2      PRO  54  53.296  -8.336   4.541
  415   2HG   PRO  54           HG1      PRO  54  52.470  -8.220   2.978
  416   1HD   PRO  54           HD2      PRO  54  54.871  -9.469   3.323
  417   2HD   PRO  54           HD1      PRO  54  54.364  -8.720   1.792
  418    H    GLU  55           HN       GLU  55  55.051  -7.955   5.500
  419    HA   GLU  55           HA       GLU  55  55.379  -6.222   7.748
  420   1HB   GLU  55           HB2      GLU  55  56.059  -9.146   7.286
  421   2HB   GLU  55           HB1      GLU  55  55.973  -8.385   8.875
  422   1HG   GLU  55           HG2      GLU  55  53.597  -7.684   8.271
  423   2HG   GLU  55           HG1      GLU  55  53.727  -8.770   6.886
  424    H    GLU  56           HN       GLU  56  57.741  -8.025   5.783
  425    HA   GLU  56           HA       GLU  56  60.058  -7.364   7.359
  426   1HB   GLU  56           HB2      GLU  56  59.558  -8.212   4.496
  427   2HB   GLU  56           HB1      GLU  56  61.185  -8.015   5.149
  428   1HG   GLU  56           HG2      GLU  56  60.364  -9.567   7.068
  429   2HG   GLU  56           HG1      GLU  56  59.064  -9.996   5.955
  430    H    LEU  57           HN       LEU  57  58.228  -5.600   4.957
  431    HA   LEU  57           HA       LEU  57  60.129  -3.810   3.916
  432   1HB   LEU  57           HB2      LEU  57  57.582  -4.143   3.505
  433   2HB   LEU  57           HB1      LEU  57  57.368  -2.972   4.805
  434    HG   LEU  57           HG       LEU  57  58.970  -1.453   3.525
  435   1HD1  LEU  57          HD13      LEU  57  59.043  -3.811   1.866
  436   2HD1  LEU  57          HD12      LEU  57  58.429  -2.447   0.930
  437   3HD1  LEU  57          HD11      LEU  57  59.997  -2.335   1.727
  438   1HD2  LEU  57          HD23      LEU  57  56.321  -1.536   3.503
  439   2HD2  LEU  57          HD22      LEU  57  57.188  -0.477   2.391
  440   3HD2  LEU  57          HD21      LEU  57  56.566  -2.029   1.827
  441    H    GLN  58           HN       GLN  58  57.918  -2.845   6.571
  442    HA   GLN  58           HA       GLN  58  59.624  -0.703   7.452
  443   1HB   GLN  58           HB2      GLN  58  57.186  -0.820   7.799
  444   2HB   GLN  58           HB1      GLN  58  57.394  -2.230   8.840
  445   1HG   GLN  58           HG2      GLN  58  57.141  -0.122  10.144
  446   2HG   GLN  58           HG1      GLN  58  58.696  -0.904  10.430
  447   1HE2  GLN  58          HE22      GLN  58  60.232   2.189   9.693
  448   2HE2  GLN  58          HE21      GLN  58  60.000   0.948  10.827
  449    H    GLU  59           HN       GLU  59  59.036  -3.987   8.762
  450    HA   GLU  59           HA       GLU  59  60.572  -3.971  11.071
  451   1HB   GLU  59           HB2      GLU  59  60.070  -5.965   8.877
  452   2HB   GLU  59           HB1      GLU  59  61.159  -6.396  10.195
  453   1HG   GLU  59           HG2      GLU  59  58.719  -5.136  11.177
  454   2HG   GLU  59           HG1      GLU  59  58.376  -6.589  10.238
  455    H    MET  60           HN       MET  60  61.837  -4.695   7.792
  456    HA   MET  60           HA       MET  60  64.587  -4.844   8.512
  457   1HB   MET  60           HB2      MET  60  62.981  -4.288   6.036
  458   2HB   MET  60           HB1      MET  60  64.735  -4.112   5.974
  459   1HG   MET  60           HG2      MET  60  63.984  -6.560   7.342
  460   2HG   MET  60           HG1      MET  60  63.287  -6.501   5.723
  461   1HE   MET  60           HE3      MET  60  64.532  -8.534   5.111
  462   2HE   MET  60           HE2      MET  60  66.280  -8.740   5.027
  463   3HE   MET  60           HE1      MET  60  65.479  -8.697   6.597
  464    H    ILE  61           HN       ILE  61  62.862  -2.098   6.973
  465    HA   ILE  61           HA       ILE  61  64.925  -0.189   7.108
  466    HB   ILE  61           HB       ILE  61  61.916   0.066   7.397
  467   1HG1  ILE  61          HG12      ILE  61  63.652   0.524   4.961
  468   2HG1  ILE  61          HG11      ILE  61  62.942  -1.049   5.330
  469   1HG2  ILE  61          HG22      ILE  61  64.106   2.083   7.209
  470   2HG2  ILE  61          HG21      ILE  61  62.645   2.386   6.267
  471   3HG2  ILE  61          HG23      ILE  61  62.543   2.195   8.018
  472   1HD1  ILE  61          HD13      ILE  61  61.352   1.518   5.060
  473   2HD1  ILE  61          HD12      ILE  61  61.539   0.326   3.774
  474   3HD1  ILE  61          HD11      ILE  61  60.702  -0.108   5.264
  475    H    ASP  62           HN       ASP  62  62.658  -1.237   9.624
  476    HA   ASP  62           HA       ASP  62  63.246   0.842  11.527
  477   1HB   ASP  62           HB2      ASP  62  61.275  -0.718  11.488
  478   2HB   ASP  62           HB1      ASP  62  62.354  -2.024  11.980
  479    H    GLU  63           HN       GLU  63  65.212  -1.631  10.330
  480    HA   GLU  63           HA       GLU  63  66.806  -1.768  12.862
  481   1HB   GLU  63           HB2      GLU  63  66.311  -3.568  10.513
  482   2HB   GLU  63           HB1      GLU  63  67.821  -3.739  11.409
  483   1HG   GLU  63           HG2      GLU  63  65.283  -3.561  12.977
  484   2HG   GLU  63           HG1      GLU  63  65.622  -5.070  12.131
  485    H    VAL  64           HN       VAL  64  66.902  -0.882   9.452
  486    HA   VAL  64           HA       VAL  64  69.824  -0.371   9.581
  487    HB   VAL  64           HB       VAL  64  68.510  -1.495   7.662
  488   1HG1  VAL  64          HG13      VAL  64  67.056   0.899   7.837
  489   2HG1  VAL  64          HG12      VAL  64  68.015   1.057   6.366
  490   3HG1  VAL  64          HG11      VAL  64  66.930  -0.318   6.567
  491   1HG2  VAL  64          HG21      VAL  64  70.862  -0.607   7.533
  492   2HG2  VAL  64          HG23      VAL  64  69.997  -0.548   5.998
  493   3HG2  VAL  64          HG22      VAL  64  70.200   0.921   6.953
  494    H    ASP  65           HN       ASP  65  66.979   1.284  10.293
  495    HA   ASP  65           HA       ASP  65  67.890   3.935   9.351
  496   1HB   ASP  65           HB2      ASP  65  65.491   2.995   9.420
  497   2HB   ASP  65           HB1      ASP  65  65.564   3.255  11.162
  498    H    GLU  66           HN       GLU  66  69.425   4.967  10.579
  499    HA   GLU  66           HA       GLU  66  69.428   4.504  13.540
  500   1HB   GLU  66           HB2      GLU  66  71.438   4.822  11.408
  501   2HB   GLU  66           HB1      GLU  66  71.795   5.748  12.866
  502   1HG   GLU  66           HG2      GLU  66  71.895   3.836  14.216
  503   2HG   GLU  66           HG1      GLU  66  70.948   2.870  13.083
  504    H    ASP  67           HN       ASP  67  68.510   6.768  11.214
  505    HA   ASP  67           HA       ASP  67  69.168   9.138  12.886
  506   1HB   ASP  67           HB2      ASP  67  68.295  10.337  10.877
  507   2HB   ASP  67           HB1      ASP  67  69.574   9.193  10.466
  508    H    GLY  68           HN       GLY  68  66.749   6.860  12.788
  509   1HA   GLY  68           HA2      GLY  68  64.515   6.832  13.514
  510   2HA   GLY  68           HA1      GLY  68  64.987   8.196  14.529
  511    H    SER  69           HN       SER  69  64.809   7.936  10.974
  512    HA   SER  69           HA       SER  69  63.060  10.365  10.994
  513   1HB   SER  69           HB2      SER  69  63.947  10.675   8.725
  514   2HB   SER  69           HB1      SER  69  65.277  10.429   9.852
  515    HG   SER  69           HG       SER  69  65.745   8.986   8.340
  516    H    GLY  70           HN       GLY  70  63.150   6.986  10.206
  517   1HA   GLY  70           HA2      GLY  70  61.351   5.592   9.568
  518   2HA   GLY  70           HA1      GLY  70  60.320   7.021   9.491
  519    H    THR  71           HN       THR  71  63.091   7.681   7.764
  520    HA   THR  71           HA       THR  71  61.797   6.813   5.197
  521    HB   THR  71           HB       THR  71  62.611   8.919   4.284
  522    HG1  THR  71           HG1      THR  71  63.866   9.122   6.812
  523   1HG2  THR  71          HG22      THR  71  61.322   9.247   7.006
  524   2HG2  THR  71          HG21      THR  71  61.426  10.525   5.795
  525   3HG2  THR  71          HG23      THR  71  60.492   9.068   5.460
  526    H    VAL  72           HN       VAL  72  63.295   6.252   3.472
  527    HA   VAL  72           HA       VAL  72  65.944   5.313   4.493
  528    HB   VAL  72           HB       VAL  72  64.584   4.514   1.915
  529   1HG1  VAL  72          HG13      VAL  72  67.009   3.864   3.019
  530   2HG1  VAL  72          HG12      VAL  72  65.986   2.554   3.609
  531   3HG1  VAL  72          HG11      VAL  72  66.127   2.851   1.877
  532   1HG2  VAL  72          HG23      VAL  72  63.795   3.889   4.717
  533   2HG2  VAL  72          HG22      VAL  72  62.813   3.909   3.253
  534   3HG2  VAL  72          HG21      VAL  72  63.852   2.526   3.598
  535    H    ASP  73           HN       ASP  73  67.721   6.432   3.788
  536    HA   ASP  73           HA       ASP  73  67.456   8.062   1.279
  537   1HB   ASP  73           HB2      ASP  73  69.264   9.453   2.484
  538   2HB   ASP  73           HB1      ASP  73  67.635   9.517   3.158
  539    H    PHE  74           HN       PHE  74  69.789   8.530   0.378
  540    HA   PHE  74           HA       PHE  74  70.977   6.250  -0.657
  541   1HB   PHE  74           HB2      PHE  74  71.362   8.874  -0.907
  542   2HB   PHE  74           HB1      PHE  74  72.722   8.541   0.166
  543    HD1  PHE  74           HD1      PHE  74  71.122   6.703  -2.696
  544    HD2  PHE  74           HD2      PHE  74  74.721   8.327  -1.003
  545    HE1  PHE  74           HE1      PHE  74  72.423   5.817  -4.612
  546    HE2  PHE  74           HE2      PHE  74  76.023   7.439  -2.920
  547    HZ   PHE  74           HZ       PHE  74  74.874   6.183  -4.723
  548    H    ASP  75           HN       ASP  75  71.537   7.689   2.528
  549    HA   ASP  75           HA       ASP  75  73.875   6.138   3.206
  550   1HB   ASP  75           HB2      ASP  75  71.817   7.821   4.577
  551   2HB   ASP  75           HB1      ASP  75  72.830   6.786   5.583
  552    H    GLU  76           HN       GLU  76  70.448   5.776   4.221
  553    HA   GLU  76           HA       GLU  76  70.983   3.093   5.295
  554   1HB   GLU  76           HB2      GLU  76  68.376   4.591   4.885
  555   2HB   GLU  76           HB1      GLU  76  68.668   3.262   6.008
  556   1HG   GLU  76           HG2      GLU  76  70.038   4.585   7.405
  557   2HG   GLU  76           HG1      GLU  76  70.278   5.808   6.158
  558    H    PHE  77           HN       PHE  77  69.205   4.504   2.542
  559    HA   PHE  77           HA       PHE  77  67.872   2.339   1.461
  560   1HB   PHE  77           HB2      PHE  77  68.039   4.677   0.575
  561   2HB   PHE  77           HB1      PHE  77  69.642   4.288  -0.049
  562    HD1  PHE  77           HD1      PHE  77  66.347   2.483   0.018
  563    HD2  PHE  77           HD2      PHE  77  69.616   3.954  -2.350
  564    HE1  PHE  77           HE1      PHE  77  65.323   1.492  -2.011
  565    HE2  PHE  77           HE2      PHE  77  68.591   2.962  -4.379
  566    HZ   PHE  77           HZ       PHE  77  66.445   1.731  -4.210
  567    H    LEU  78           HN       LEU  78  71.372   2.993   1.173
  568    HA   LEU  78           HA       LEU  78  71.901   0.685  -0.506
  569   1HB   LEU  78           HB2      LEU  78  73.479   2.697   1.080
  570   2HB   LEU  78           HB1      LEU  78  74.300   1.316   0.349
  571    HG   LEU  78           HG       LEU  78  72.545   3.294  -1.135
  572   1HD1  LEU  78          HD11      LEU  78  75.166   3.613  -0.256
  573   2HD1  LEU  78          HD13      LEU  78  75.349   3.061  -1.921
  574   3HD1  LEU  78          HD12      LEU  78  74.401   4.507  -1.570
  575   1HD2  LEU  78          HD22      LEU  78  73.384   0.629  -1.749
  576   2HD2  LEU  78          HD21      LEU  78  72.495   1.753  -2.777
  577   3HD2  LEU  78          HD23      LEU  78  74.259   1.733  -2.811
  578    H    VAL  79           HN       VAL  79  72.291   1.349   2.989
  579    HA   VAL  79           HA       VAL  79  73.531  -1.108   3.715
  580    HB   VAL  79           HB       VAL  79  71.545   0.585   5.270
  581   1HG1  VAL  79          HG11      VAL  79  73.798  -1.257   6.134
  582   2HG1  VAL  79          HG13      VAL  79  72.875  -0.219   7.221
  583   3HG1  VAL  79          HG12      VAL  79  72.072  -1.537   6.367
  584   1HG2  VAL  79          HG22      VAL  79  73.931   1.402   4.084
  585   2HG2  VAL  79          HG21      VAL  79  73.119   2.205   5.428
  586   3HG2  VAL  79          HG23      VAL  79  74.397   1.031   5.744
  587    H    MET  80           HN       MET  80  70.142  -0.303   3.106
  588    HA   MET  80           HA       MET  80  68.995  -2.697   4.238
  589   1HB   MET  80           HB2      MET  80  68.203  -0.302   2.903
  590   2HB   MET  80           HB1      MET  80  67.483  -1.655   2.030
  591   1HG   MET  80           HG2      MET  80  67.306  -2.032   4.911
  592   2HG   MET  80           HG1      MET  80  66.533  -0.530   4.407
  593   1HE   MET  80           HE1      MET  80  65.265  -0.238   2.525
  594   2HE   MET  80           HE3      MET  80  64.151  -1.370   1.744
  595   3HE   MET  80           HE2      MET  80  63.783  -0.727   3.343
  596    H    MET  81           HN       MET  81  70.066  -1.810   0.956
  597    HA   MET  81           HA       MET  81  69.257  -4.275  -0.308
  598   1HB   MET  81           HB2      MET  81  70.750  -1.808  -0.885
  599   2HB   MET  81           HB1      MET  81  71.352  -3.205  -1.776
  600   1HG   MET  81           HG2      MET  81  69.038  -3.686  -2.543
  601   2HG   MET  81           HG1      MET  81  68.477  -2.242  -1.701
  602   1HE   MET  81           HE3      MET  81  69.019  -0.101  -2.006
  603   2HE   MET  81           HE2      MET  81  69.532   0.695  -3.492
  604   3HE   MET  81           HE1      MET  81  67.970  -0.117  -3.431
  605    H    VAL  82           HN       VAL  82  72.439  -3.091   0.832
  606    HA   VAL  82           HA       VAL  82  73.957  -5.418   0.228
  607    HB   VAL  82           HB       VAL  82  74.822  -3.173   0.847
  608   1HG1  VAL  82          HG11      VAL  82  73.831  -3.941   3.610
  609   2HG1  VAL  82          HG13      VAL  82  74.808  -2.520   3.237
  610   3HG1  VAL  82          HG12      VAL  82  73.173  -2.660   2.593
  611   1HG2  VAL  82          HG21      VAL  82  75.899  -5.622   1.520
  612   2HG2  VAL  82          HG23      VAL  82  76.751  -4.082   1.631
  613   3HG2  VAL  82          HG22      VAL  82  75.955  -4.753   3.054
  614    H    ARG  83           HN       ARG  83  71.879  -4.643   2.983
  615    HA   ARG  83           HA       ARG  83  72.736  -6.760   4.728
  616   1HB   ARG  83           HB2      ARG  83  70.504  -4.829   4.435
  617   2HB   ARG  83           HB1      ARG  83  70.142  -6.261   5.399
  618   1HG   ARG  83           HG2      ARG  83  72.106  -5.834   6.809
  619   2HG   ARG  83           HG1      ARG  83  72.518  -4.426   5.828
  620   1HD   ARG  83           HD2      ARG  83  71.300  -3.308   7.432
  621   2HD   ARG  83           HD1      ARG  83  69.918  -3.857   6.462
  622    HE   ARG  83           HE       ARG  83  69.836  -5.877   7.968
  623   1HH1  ARG  83          HH21      ARG  83  72.322  -3.818   8.945
  624   2HH1  ARG  83          HH22      ARG  83  71.895  -3.822  10.623
  625   1HH2  ARG  83          HH11      ARG  83  68.933  -5.559  10.138
  626   2HH2  ARG  83          HH12      ARG  83  69.975  -4.806  11.298
  627    H    CYS  84           HN       CYS  84  70.304  -6.600   2.142
  628    HA   CYS  84           HA       CYS  84  69.143  -9.203   2.707
  629   1HB   CYS  84           HB2      CYS  84  67.948  -7.409   1.546
  630   2HB   CYS  84           HB1      CYS  84  69.157  -7.405   0.262
  631    HG   CYS  84           HG       CYS  84  67.365  -8.953  -0.681
  632    H    MET  85           HN       MET  85  71.515  -8.018   0.298
  633    HA   MET  85           HA       MET  85  71.932 -10.620  -0.911
  634   1HB   MET  85           HB2      MET  85  73.693  -9.444  -2.097
  635   2HB   MET  85           HB1      MET  85  72.330  -8.337  -1.921
  636   1HG   MET  85           HG2      MET  85  73.391  -7.258  -0.013
  637   2HG   MET  85           HG1      MET  85  74.710  -8.429  -0.045
  638   1HE   MET  85           HE2      MET  85  72.675  -5.955  -1.596
  639   2HE   MET  85           HE1      MET  85  73.823  -4.725  -2.121
  640   3HE   MET  85           HE3      MET  85  73.205  -5.914  -3.276
  641    H    LYS  86           HN       LYS  86  73.199  -9.020   1.915
  642    HA   LYS  86           HA       LYS  86  74.868  -9.669   3.464
  643   1HB   LYS  86           HB2      LYS  86  73.844 -12.264   2.281
  644   2HB   LYS  86           HB1      LYS  86  74.942 -12.219   3.662
  645   1HG   LYS  86           HG2      LYS  86  73.334 -11.441   5.087
  646   2HG   LYS  86           HG1      LYS  86  72.569 -10.449   3.845
  647   1HD   LYS  86           HD2      LYS  86  71.734 -12.612   2.797
  648   2HD   LYS  86           HD1      LYS  86  72.277 -13.432   4.262
  649   1HE   LYS  86           HE2      LYS  86  70.613 -11.011   4.704
  650   2HE   LYS  86           HE1      LYS  86  69.776 -12.414   4.009
  651   1HZ   LYS  86           HZ2      LYS  86  71.548 -12.486   6.395
  652   2HZ   LYS  86           HZ1      LYS  86  69.850 -12.520   6.444
  653   3HZ   LYS  86           HZ3      LYS  86  70.703 -13.805   5.736
  654    H    ASP  87           HN       ASP  87  76.216  -8.635   1.449
  655    HA   ASP  87           HA       ASP  87  78.350  -8.689   0.423
  656   1HB   ASP  87           HB2      ASP  87  78.440 -10.362   2.613
  657   2HB   ASP  87           HB1      ASP  87  78.938 -11.439   1.307
  658    H    ASP  88           HN       ASP  88  79.687 -10.742  -0.866
  659    HA   ASP  88           HA       ASP  88  77.827 -11.359  -3.076
  660   1HB   ASP  88           HB2      ASP  88  80.787 -11.928  -2.710
  661   2HB   ASP  88           HB1      ASP  88  79.898 -11.934  -4.234
  662    H    SER  89           HN       SER  89  80.365 -13.352  -1.526
  663    HA   SER  89           HA       SER  89  79.221 -15.862  -2.215
  664   1HB   SER  89           HB2      SER  89  80.800 -15.431   0.303
  665   2HB   SER  89           HB1      SER  89  80.961 -16.705  -0.902
  666    HG   SER  89           HG       SER  89  82.644 -15.234  -1.134
   
  No H/Q in entry =         666
  Start of MODEL   12
    1   1H    MET   1           HT1      MET   1  76.519   1.187  18.149
    2   2H    MET   1           HT3      MET   1  75.938   2.731  18.541
    3   3H    MET   1           HT2      MET   1  75.262   1.876  17.238
    4    HA   MET   1           HA       MET   1  76.731   3.561  16.366
    5   1HB   MET   1           HB2      MET   1  78.673   2.203  18.264
    6   2HB   MET   1           HB1      MET   1  79.111   3.483  17.131
    7   1HG   MET   1           HG2      MET   1  78.569   4.942  18.769
    8   2HG   MET   1           HG1      MET   1  76.888   4.510  18.455
    9   1HE   MET   1           HE3      MET   1  80.045   3.972  20.089
   10   2HE   MET   1           HE2      MET   1  79.376   4.694  21.551
   11   3HE   MET   1           HE1      MET   1  79.807   2.986  21.539
   12    H    ASP   2           HN       ASP   2  75.841   0.712  15.875
   13    HA   ASP   2           HA       ASP   2  77.812  -0.984  14.838
   14   1HB   ASP   2           HB2      ASP   2  74.983  -0.292  14.051
   15   2HB   ASP   2           HB1      ASP   2  75.882  -1.524  13.165
   16    H    ASP   3           HN       ASP   3  79.460  -0.372  13.476
   17    HA   ASP   3           HA       ASP   3  78.801   1.501  11.224
   18   1HB   ASP   3           HB2      ASP   3  80.536   1.883  13.259
   19   2HB   ASP   3           HB1      ASP   3  81.600   1.040  12.133
   20    H    ILE   4           HN       ILE   4  79.326  -1.707  11.857
   21    HA   ILE   4           HA       ILE   4  81.263  -2.507   9.906
   22    HB   ILE   4           HB       ILE   4  80.338  -4.694  10.302
   23   1HG1  ILE   4          HG12      ILE   4  78.044  -4.538  11.735
   24   2HG1  ILE   4          HG11      ILE   4  77.852  -3.116  10.708
   25   1HG2  ILE   4          HG23      ILE   4  81.204  -3.118  12.304
   26   2HG2  ILE   4          HG22      ILE   4  79.572  -3.436  12.890
   27   3HG2  ILE   4          HG21      ILE   4  80.673  -4.777  12.573
   28   1HD1  ILE   4          HD11      ILE   4  78.500  -5.899   9.691
   29   2HD1  ILE   4          HD13      ILE   4  76.892  -5.175   9.675
   30   3HD1  ILE   4          HD12      ILE   4  78.185  -4.470   8.704
   31    H    TYR   5           HN       TYR   5  78.139  -1.166   9.521
   32    HA   TYR   5           HA       TYR   5  77.602  -2.471   6.924
   33   1HB   TYR   5           HB2      TYR   5  76.230  -0.348   8.599
   34   2HB   TYR   5           HB1      TYR   5  75.592  -0.930   7.061
   35    HD1  TYR   5           HD2      TYR   5  74.956  -3.335   6.796
   36    HD2  TYR   5           HD1      TYR   5  76.077  -1.671  10.595
   37    HE1  TYR   5           HE2      TYR   5  73.957  -5.290   7.947
   38    HE2  TYR   5           HE1      TYR   5  75.076  -3.627  11.746
   39    HH   TYR   5           HH       TYR   5  73.440  -5.357  11.344
   40    H    LYS   6           HN       LYS   6  78.473   0.764   8.165
   41    HA   LYS   6           HA       LYS   6  78.395   2.219   5.742
   42   1HB   LYS   6           HB2      LYS   6  79.673   2.368   8.398
   43   2HB   LYS   6           HB1      LYS   6  80.530   3.259   7.139
   44   1HG   LYS   6           HG2      LYS   6  78.710   4.667   6.711
   45   2HG   LYS   6           HG1      LYS   6  77.546   3.533   7.398
   46   1HD   LYS   6           HD2      LYS   6  79.468   4.252   9.416
   47   2HD   LYS   6           HD1      LYS   6  78.800   5.719   8.700
   48   1HE   LYS   6           HE2      LYS   6  76.583   5.151   9.300
   49   2HE   LYS   6           HE1      LYS   6  76.998   3.444   9.549
   50   1HZ   LYS   6           HZ1      LYS   6  78.604   4.284  11.290
   51   2HZ   LYS   6           HZ3      LYS   6  77.798   5.774  11.195
   52   3HZ   LYS   6           HZ2      LYS   6  76.955   4.383  11.689
   53    H    ALA   7           HN       ALA   7  80.755  -0.103   6.928
   54    HA   ALA   7           HA       ALA   7  82.737   0.565   4.849
   55   1HB   ALA   7           HB2      ALA   7  82.547  -0.906   7.343
   56   2HB   ALA   7           HB1      ALA   7  83.323  -1.894   6.105
   57   3HB   ALA   7           HB3      ALA   7  83.989  -0.314   6.518
   58    H    ALA   8           HN       ALA   8  80.489  -2.099   5.618
   59    HA   ALA   8           HA       ALA   8  81.122  -3.867   3.503
   60   1HB   ALA   8           HB3      ALA   8  79.214  -3.557   5.545
   61   2HB   ALA   8           HB2      ALA   8  78.271  -3.673   4.058
   62   3HB   ALA   8           HB1      ALA   8  79.399  -4.959   4.490
   63    H    VAL   9           HN       VAL   9  79.224  -0.893   3.514
   64    HA   VAL   9           HA       VAL   9  77.946  -1.232   0.959
   65    HB   VAL   9           HB       VAL   9  78.781   1.274   2.456
   66   1HG1  VAL   9          HG11      VAL   9  77.675   1.041  -0.064
   67   2HG1  VAL   9          HG13      VAL   9  76.253   1.235   0.962
   68   3HG1  VAL   9          HG12      VAL   9  77.529   2.454   0.981
   69   1HG2  VAL   9          HG21      VAL   9  77.026  -0.829   3.220
   70   2HG2  VAL   9          HG23      VAL   9  77.247   0.731   4.013
   71   3HG2  VAL   9          HG22      VAL   9  76.016   0.544   2.765
   72    H    GLU  10           HN       GLU  10  80.867   0.631   1.898
   73    HA   GLU  10           HA       GLU  10  81.641   1.592  -0.614
   74   1HB   GLU  10           HB2      GLU  10  83.151   0.597   1.807
   75   2HB   GLU  10           HB1      GLU  10  83.996   1.303   0.430
   76   1HG   GLU  10           HG2      GLU  10  82.386   3.288   0.659
   77   2HG   GLU  10           HG1      GLU  10  81.955   2.613   2.232
   78    H    GLN  11           HN       GLN  11  82.021  -1.667   0.717
   79    HA   GLN  11           HA       GLN  11  83.866  -2.815  -1.048
   80   1HB   GLN  11           HB2      GLN  11  81.757  -3.609   0.756
   81   2HB   GLN  11           HB1      GLN  11  81.737  -4.652  -0.666
   82   1HG   GLN  11           HG2      GLN  11  83.269  -5.707   0.796
   83   2HG   GLN  11           HG1      GLN  11  84.294  -4.829  -0.339
   84   1HE2  GLN  11          HE22      GLN  11  84.336  -3.824   3.588
   85   2HE2  GLN  11          HE21      GLN  11  83.373  -5.096   3.011
   86    H    LEU  12           HN       LEU  12  80.641  -1.668  -1.716
   87    HA   LEU  12           HA       LEU  12  80.205  -3.198  -4.148
   88   1HB   LEU  12           HB2      LEU  12  79.032  -0.559  -3.207
   89   2HB   LEU  12           HB1      LEU  12  78.315  -1.662  -4.382
   90    HG   LEU  12           HG       LEU  12  79.005  -2.650  -1.627
   91   1HD1  LEU  12          HD12      LEU  12  77.617  -0.546  -1.442
   92   2HD1  LEU  12          HD11      LEU  12  76.370  -1.359  -2.386
   93   3HD1  LEU  12          HD13      LEU  12  76.832  -1.991  -0.805
   94   1HD2  LEU  12          HD22      LEU  12  77.400  -3.495  -3.978
   95   2HD2  LEU  12          HD21      LEU  12  78.279  -4.476  -2.805
   96   3HD2  LEU  12          HD23      LEU  12  76.686  -3.835  -2.401
   97    H    THR  13           HN       THR  13  80.744  -2.622  -6.255
   98    HA   THR  13           HA       THR  13  82.875  -0.724  -6.698
   99    HB   THR  13           HB       THR  13  82.284  -1.321  -9.122
  100    HG1  THR  13           HG1      THR  13  80.827  -3.362  -8.822
  101   1HG2  THR  13          HG21      THR  13  82.780  -3.457  -7.037
  102   2HG2  THR  13          HG23      THR  13  82.916  -3.750  -8.771
  103   3HG2  THR  13          HG22      THR  13  83.983  -2.585  -7.988
  104    H    GLU  14           HN       GLU  14  82.765   1.358  -7.620
  105    HA   GLU  14           HA       GLU  14  80.592   3.051  -7.109
  106   1HB   GLU  14           HB2      GLU  14  81.725   4.553  -8.720
  107   2HB   GLU  14           HB1      GLU  14  82.898   3.736  -7.688
  108   1HG   GLU  14           HG2      GLU  14  83.261   2.044  -9.463
  109   2HG   GLU  14           HG1      GLU  14  82.127   2.909 -10.502
  110    H    GLU  15           HN       GLU  15  81.301   1.205 -10.081
  111    HA   GLU  15           HA       GLU  15  79.224   2.214 -11.726
  112   1HB   GLU  15           HB2      GLU  15  79.582   0.139 -12.965
  113   2HB   GLU  15           HB1      GLU  15  81.135   0.714 -12.358
  114   1HG   GLU  15           HG2      GLU  15  81.286  -1.471 -11.655
  115   2HG   GLU  15           HG1      GLU  15  80.426  -0.809 -10.264
  116    H    GLN  16           HN       GLN  16  79.151  -0.114  -9.082
  117    HA   GLN  16           HA       GLN  16  76.431  -1.043  -9.652
  118   1HB   GLN  16           HB2      GLN  16  78.206  -2.395  -8.536
  119   2HB   GLN  16           HB1      GLN  16  78.188  -1.261  -7.183
  120   1HG   GLN  16           HG2      GLN  16  76.565  -2.542  -6.277
  121   2HG   GLN  16           HG1      GLN  16  75.501  -1.930  -7.545
  122   1HE2  GLN  16          HE22      GLN  16  77.355  -5.516  -8.364
  123   2HE2  GLN  16          HE21      GLN  16  78.244  -4.281  -7.610
  124    H    LYS  17           HN       LYS  17  77.887   0.841  -6.965
  125    HA   LYS  17           HA       LYS  17  75.449   1.682  -5.771
  126   1HB   LYS  17           HB2      LYS  17  78.282   2.163  -5.605
  127   2HB   LYS  17           HB1      LYS  17  77.435   3.708  -5.510
  128   1HG   LYS  17           HG2      LYS  17  76.617   3.247  -3.454
  129   2HG   LYS  17           HG1      LYS  17  76.135   1.618  -3.929
  130   1HD   LYS  17           HD2      LYS  17  77.816   0.949  -2.552
  131   2HD   LYS  17           HD1      LYS  17  78.867   1.391  -3.898
  132   1HE   LYS  17           HE2      LYS  17  78.030   3.542  -1.975
  133   2HE   LYS  17           HE1      LYS  17  79.318   2.417  -1.501
  134   1HZ   LYS  17           HZ1      LYS  17  79.372   3.513  -4.214
  135   2HZ   LYS  17           HZ3      LYS  17  79.841   4.537  -2.946
  136   3HZ   LYS  17           HZ2      LYS  17  80.662   3.071  -3.201
  137    H    ASN  18           HN       ASN  18  77.083   2.748  -8.657
  138    HA   ASN  18           HA       ASN  18  75.892   5.373  -8.875
  139   1HB   ASN  18           HB2      ASN  18  77.393   3.421 -10.555
  140   2HB   ASN  18           HB1      ASN  18  76.488   4.669 -11.412
  141   1HD2  ASN  18          HD22      ASN  18  79.809   6.152 -10.727
  142   2HD2  ASN  18          HD21      ASN  18  79.183   4.911 -11.703
  143    H    GLU  19           HN       GLU  19  75.104   2.230 -10.418
  144    HA   GLU  19           HA       GLU  19  72.852   2.990 -11.907
  145   1HB   GLU  19           HB2      GLU  19  74.049   0.595 -10.771
  146   2HB   GLU  19           HB1      GLU  19  72.289   0.475 -10.784
  147   1HG   GLU  19           HG2      GLU  19  72.195   0.902 -13.148
  148   2HG   GLU  19           HG1      GLU  19  73.906   1.330 -13.197
  149    H    PHE  20           HN       PHE  20  73.057   2.187  -8.442
  150    HA   PHE  20           HA       PHE  20  70.239   2.284  -7.895
  151   1HB   PHE  20           HB2      PHE  20  72.640   2.884  -6.135
  152   2HB   PHE  20           HB1      PHE  20  71.029   2.453  -5.562
  153    HD1  PHE  20           HD2      PHE  20  70.652   0.473  -8.040
  154    HD2  PHE  20           HD1      PHE  20  73.608   0.923  -4.954
  155    HE1  PHE  20           HE2      PHE  20  71.226  -1.931  -8.239
  156    HE2  PHE  20           HE1      PHE  20  74.181  -1.481  -5.154
  157    HZ   PHE  20           HZ       PHE  20  72.991  -2.908  -6.795
  158    H    LYS  21           HN       LYS  21  72.770   4.776  -7.969
  159    HA   LYS  21           HA       LYS  21  71.483   6.927  -6.718
  160   1HB   LYS  21           HB2      LYS  21  73.782   6.566  -8.042
  161   2HB   LYS  21           HB1      LYS  21  72.879   7.374  -9.325
  162   1HG   LYS  21           HG2      LYS  21  72.247   8.947  -7.188
  163   2HG   LYS  21           HG1      LYS  21  73.886   8.452  -6.762
  164   1HD   LYS  21           HD2      LYS  21  74.680   9.979  -8.209
  165   2HD   LYS  21           HD1      LYS  21  73.932   9.073  -9.525
  166   1HE   LYS  21           HE2      LYS  21  72.822  11.089  -9.810
  167   2HE   LYS  21           HE1      LYS  21  71.744  10.368  -8.598
  168   1HZ   LYS  21           HZ3      LYS  21  74.149  11.666  -7.593
  169   2HZ   LYS  21           HZ2      LYS  21  72.958  12.699  -8.226
  170   3HZ   LYS  21           HZ1      LYS  21  72.579  11.645  -6.948
  171    H    ALA  22           HN       ALA  22  71.318   6.158 -10.223
  172    HA   ALA  22           HA       ALA  22  69.322   8.049 -10.913
  173   1HB   ALA  22           HB2      ALA  22  70.852   6.217 -12.196
  174   2HB   ALA  22           HB1      ALA  22  69.304   5.370 -12.213
  175   3HB   ALA  22           HB3      ALA  22  69.443   6.968 -12.946
  176    H    ALA  23           HN       ALA  23  68.997   4.665  -9.813
  177    HA   ALA  23           HA       ALA  23  66.131   4.540  -9.986
  178   1HB   ALA  23           HB3      ALA  23  67.782   2.643  -9.807
  179   2HB   ALA  23           HB2      ALA  23  68.030   3.083  -8.118
  180   3HB   ALA  23           HB1      ALA  23  66.448   2.521  -8.659
  181    H    PHE  24           HN       PHE  24  68.310   5.172  -7.210
  182    HA   PHE  24           HA       PHE  24  66.524   5.513  -5.127
  183   1HB   PHE  24           HB2      PHE  24  68.837   5.791  -4.719
  184   2HB   PHE  24           HB1      PHE  24  69.009   6.987  -6.002
  185    HD1  PHE  24           HD1      PHE  24  67.814   9.248  -5.709
  186    HD2  PHE  24           HD2      PHE  24  68.421   6.462  -2.494
  187    HE1  PHE  24           HE1      PHE  24  67.450  11.067  -4.064
  188    HE2  PHE  24           HE2      PHE  24  68.057   8.283  -0.849
  189    HZ   PHE  24           HZ       PHE  24  67.572  10.584  -1.634
  190    H    ASP  25           HN       ASP  25  67.315   7.957  -7.624
  191    HA   ASP  25           HA       ASP  25  65.583  10.015  -6.630
  192   1HB   ASP  25           HB2      ASP  25  67.022   9.306  -9.146
  193   2HB   ASP  25           HB1      ASP  25  65.750  10.522  -9.272
  194    H    ILE  26           HN       ILE  26  64.932   7.067  -8.341
  195    HA   ILE  26           HA       ILE  26  62.430   7.857  -9.578
  196    HB   ILE  26           HB       ILE  26  63.516   5.143  -8.762
  197   1HG1  ILE  26          HG12      ILE  26  65.038   6.611 -10.175
  198   2HG1  ILE  26          HG11      ILE  26  64.592   5.071 -10.908
  199   1HG2  ILE  26          HG21      ILE  26  61.272   6.087 -10.502
  200   2HG2  ILE  26          HG23      ILE  26  62.152   4.634 -10.975
  201   3HG2  ILE  26          HG22      ILE  26  61.337   4.702  -9.413
  202   1HD1  ILE  26          HD13      ILE  26  62.861   7.460 -11.430
  203   2HD1  ILE  26          HD12      ILE  26  64.395   7.325 -12.290
  204   3HD1  ILE  26          HD11      ILE  26  63.176   6.062 -12.457
  205    H    PHE  27           HN       PHE  27  63.344   6.428  -6.457
  206    HA   PHE  27           HA       PHE  27  60.591   5.861  -5.666
  207   1HB   PHE  27           HB2      PHE  27  63.015   6.130  -3.882
  208   2HB   PHE  27           HB1      PHE  27  61.632   5.053  -3.690
  209    HD1  PHE  27           HD2      PHE  27  61.263   3.751  -6.199
  210    HD2  PHE  27           HD1      PHE  27  64.952   4.889  -4.314
  211    HE1  PHE  27           HE2      PHE  27  62.456   1.983  -7.465
  212    HE2  PHE  27           HE1      PHE  27  66.143   3.122  -5.579
  213    HZ   PHE  27           HZ       PHE  27  64.896   1.669  -7.153
  214    H    VAL  28           HN       VAL  28  62.922   8.487  -5.162
  215    HA   VAL  28           HA       VAL  28  61.186   9.872  -3.237
  216    HB   VAL  28           HB       VAL  28  63.041  11.436  -3.200
  217   1HG1  VAL  28          HG13      VAL  28  63.267   8.687  -2.694
  218   2HG1  VAL  28          HG12      VAL  28  64.752   9.119  -3.542
  219   3HG1  VAL  28          HG11      VAL  28  64.306   9.962  -2.058
  220   1HG2  VAL  28          HG21      VAL  28  63.880   9.993  -5.725
  221   2HG2  VAL  28          HG23      VAL  28  63.485  11.704  -5.549
  222   3HG2  VAL  28          HG22      VAL  28  64.957  11.058  -4.822
  223    H    LEU  29           HN       LEU  29  60.463   9.370  -6.238
  224    HA   LEU  29           HA       LEU  29  60.416  11.957  -7.526
  225   1HB   LEU  29           HB2      LEU  29  59.437   9.213  -7.918
  226   2HB   LEU  29           HB1      LEU  29  58.369  10.438  -8.604
  227    HG   LEU  29           HG       LEU  29  61.358  10.316  -9.101
  228   1HD1  LEU  29          HD12      LEU  29  59.612   8.487 -10.051
  229   2HD1  LEU  29          HD11      LEU  29  59.387   9.755 -11.257
  230   3HD1  LEU  29          HD13      LEU  29  60.988   9.067 -10.991
  231   1HD2  LEU  29          HD21      LEU  29  60.290  12.557  -9.296
  232   2HD2  LEU  29          HD23      LEU  29  60.853  11.957 -10.856
  233   3HD2  LEU  29          HD22      LEU  29  59.139  11.886 -10.450
  234    H    GLY  30           HN       GLY  30  58.684  10.723  -4.887
  235   1HA   GLY  30           HA2      GLY  30  56.473  12.687  -5.349
  236   2HA   GLY  30           HA1      GLY  30  56.254  11.186  -4.449
  237    H    ALA  31           HN       ALA  31  59.108  11.744  -3.355
  238    HA   ALA  31           HA       ALA  31  58.329  12.828  -0.830
  239   1HB   ALA  31           HB3      ALA  31  60.942  12.391  -2.284
  240   2HB   ALA  31           HB2      ALA  31  60.901  13.038  -0.645
  241   3HB   ALA  31           HB1      ALA  31  60.249  11.433  -0.976
  242    H    GLU  32           HN       GLU  32  59.211  14.890   0.110
  243    HA   GLU  32           HA       GLU  32  58.896  17.119  -1.832
  244   1HB   GLU  32           HB2      GLU  32  58.397  18.408   0.132
  245   2HB   GLU  32           HB1      GLU  32  57.611  16.846   0.362
  246   1HG   GLU  32           HG2      GLU  32  58.737  16.649   2.303
  247   2HG   GLU  32           HG1      GLU  32  60.219  16.512   1.357
  248    H    ASP  33           HN       ASP  33  61.369  15.408  -0.195
  249    HA   ASP  33           HA       ASP  33  63.287  17.665  -0.687
  250   1HB   ASP  33           HB2      ASP  33  64.426  16.996   1.322
  251   2HB   ASP  33           HB1      ASP  33  62.709  17.049   1.723
  252    H    GLY  34           HN       GLY  34  62.742  14.158  -0.725
  253   1HA   GLY  34           HA2      GLY  34  63.735  13.125  -2.860
  254   2HA   GLY  34           HA1      GLY  34  65.248  13.859  -2.329
  255    H    CYS  35           HN       CYS  35  62.789  12.213  -0.348
  256    HA   CYS  35           HA       CYS  35  64.937  10.329   0.553
  257   1HB   CYS  35           HB2      CYS  35  62.610  11.726   1.789
  258   2HB   CYS  35           HB1      CYS  35  62.996  10.121   2.411
  259    HG   CYS  35           HG       CYS  35  65.357  10.967   3.077
  260    H    ILE  36           HN       ILE  36  64.296   8.070   0.879
  261    HA   ILE  36           HA       ILE  36  62.058   7.247  -0.934
  262    HB   ILE  36           HB       ILE  36  64.260   5.459   0.090
  263   1HG1  ILE  36          HG12      ILE  36  64.484   7.316  -2.302
  264   2HG1  ILE  36          HG11      ILE  36  65.316   7.565  -0.767
  265   1HG2  ILE  36          HG23      ILE  36  62.179   5.418  -1.961
  266   2HG2  ILE  36          HG22      ILE  36  63.766   5.009  -2.612
  267   3HG2  ILE  36          HG21      ILE  36  63.096   4.078  -1.271
  268   1HD1  ILE  36          HD12      ILE  36  65.684   4.858  -1.816
  269   2HD1  ILE  36          HD11      ILE  36  66.291   6.099  -2.913
  270   3HD1  ILE  36          HD13      ILE  36  66.890   6.017  -1.256
  271    H    SER  37           HN       SER  37  60.728   7.830   1.137
  272    HA   SER  37           HA       SER  37  60.788   6.513   3.580
  273   1HB   SER  37           HB2      SER  37  58.319   6.842   3.528
  274   2HB   SER  37           HB1      SER  37  59.184   8.249   2.915
  275    HG   SER  37           HG       SER  37  57.654   7.840   1.413
  276    H    THR  38           HN       THR  38  59.397   4.639   4.315
  277    HA   THR  38           HA       THR  38  60.035   2.229   2.904
  278    HB   THR  38           HB       THR  38  58.791   1.197   4.675
  279    HG1  THR  38           HG1      THR  38  57.090   2.124   5.590
  280   1HG2  THR  38          HG23      THR  38  60.557   3.381   5.183
  281   2HG2  THR  38          HG22      THR  38  59.298   3.402   6.417
  282   3HG2  THR  38          HG21      THR  38  60.275   1.954   6.179
  283    H    LYS  39           HN       LYS  39  57.053   4.175   3.069
  284    HA   LYS  39           HA       LYS  39  55.219   2.528   1.763
  285   1HB   LYS  39           HB2      LYS  39  54.790   4.778   2.702
  286   2HB   LYS  39           HB1      LYS  39  55.717   5.501   1.387
  287   1HG   LYS  39           HG2      LYS  39  54.127   4.548  -0.252
  288   2HG   LYS  39           HG1      LYS  39  53.190   3.854   1.072
  289   1HD   LYS  39           HD2      LYS  39  53.521   6.554   1.763
  290   2HD   LYS  39           HD1      LYS  39  53.160   6.568   0.036
  291   1HE   LYS  39           HE2      LYS  39  50.986   6.097   0.458
  292   2HE   LYS  39           HE1      LYS  39  51.449   4.655   1.382
  293   1HZ   LYS  39           HZ1      LYS  39  51.771   7.376   2.494
  294   2HZ   LYS  39           HZ3      LYS  39  50.311   6.530   2.658
  295   3HZ   LYS  39           HZ2      LYS  39  51.739   5.894   3.322
  296    H    GLU  40           HN       GLU  40  57.819   4.482   0.321
  297    HA   GLU  40           HA       GLU  40  57.101   3.486  -2.391
  298   1HB   GLU  40           HB2      GLU  40  58.106   5.882  -1.268
  299   2HB   GLU  40           HB1      GLU  40  59.420   5.205  -2.229
  300   1HG   GLU  40           HG2      GLU  40  58.150   6.552  -3.736
  301   2HG   GLU  40           HG1      GLU  40  57.706   4.883  -4.096
  302    H    LEU  41           HN       LEU  41  58.175   1.569  -0.503
  303    HA   LEU  41           HA       LEU  41  60.871   1.059  -1.723
  304   1HB   LEU  41           HB2      LEU  41  60.714   1.713   0.742
  305   2HB   LEU  41           HB1      LEU  41  59.883   0.177   1.001
  306    HG   LEU  41           HG       LEU  41  62.372   0.085   1.410
  307   1HD1  LEU  41          HD11      LEU  41  60.722  -1.787   0.365
  308   2HD1  LEU  41          HD13      LEU  41  61.910  -1.682  -0.934
  309   3HD1  LEU  41          HD12      LEU  41  62.426  -2.093   0.702
  310   1HD2  LEU  41          HD22      LEU  41  62.528   1.571  -0.888
  311   2HD2  LEU  41          HD21      LEU  41  63.875   0.664  -0.203
  312   3HD2  LEU  41          HD23      LEU  41  62.902  -0.042  -1.494
  313    H    GLY  42           HN       GLY  42  57.889  -0.412  -0.433
  314   1HA   GLY  42           HA2      GLY  42  58.506  -3.119  -1.057
  315   2HA   GLY  42           HA1      GLY  42  56.871  -2.469  -0.924
  316    H    LYS  43           HN       LYS  43  56.426  -0.877  -2.938
  317    HA   LYS  43           HA       LYS  43  56.205  -2.490  -5.260
  318   1HB   LYS  43           HB2      LYS  43  56.286   0.529  -4.932
  319   2HB   LYS  43           HB1      LYS  43  55.620  -0.321  -6.327
  320   1HG   LYS  43           HG2      LYS  43  53.860  -1.272  -5.043
  321   2HG   LYS  43           HG1      LYS  43  54.644  -0.855  -3.518
  322   1HD   LYS  43           HD2      LYS  43  54.453   1.612  -4.496
  323   2HD   LYS  43           HD1      LYS  43  53.123   0.895  -5.408
  324   1HE   LYS  43           HE2      LYS  43  53.387   0.606  -2.398
  325   2HE   LYS  43           HE1      LYS  43  52.432   1.886  -3.173
  326   1HZ   LYS  43           HZ1      LYS  43  52.120  -0.936  -3.983
  327   2HZ   LYS  43           HZ3      LYS  43  51.273  -0.332  -2.644
  328   3HZ   LYS  43           HZ2      LYS  43  51.033   0.355  -4.180
  329    H    VAL  44           HN       VAL  44  58.811  -0.447  -4.121
  330    HA   VAL  44           HA       VAL  44  60.229  -0.239  -6.646
  331    HB   VAL  44           HB       VAL  44  60.858   0.178  -3.720
  332   1HG1  VAL  44          HG11      VAL  44  62.676   0.306  -6.116
  333   2HG1  VAL  44          HG13      VAL  44  62.939   1.380  -4.742
  334   3HG1  VAL  44          HG12      VAL  44  62.995  -0.368  -4.517
  335   1HG2  VAL  44          HG21      VAL  44  60.514   2.021  -6.107
  336   2HG2  VAL  44          HG23      VAL  44  59.386   1.822  -4.766
  337   3HG2  VAL  44          HG22      VAL  44  60.964   2.555  -4.488
  338    H    MET  45           HN       MET  45  60.977  -2.085  -3.655
  339    HA   MET  45           HA       MET  45  63.122  -3.615  -4.560
  340   1HB   MET  45           HB2      MET  45  60.818  -4.081  -2.684
  341   2HB   MET  45           HB1      MET  45  61.982  -5.377  -2.965
  342   1HG   MET  45           HG2      MET  45  63.110  -2.680  -2.417
  343   2HG   MET  45           HG1      MET  45  62.336  -3.500  -1.062
  344   1HE   MET  45           HE2      MET  45  65.111  -2.549  -2.506
  345   2HE   MET  45           HE1      MET  45  66.419  -3.651  -2.079
  346   3HE   MET  45           HE3      MET  45  65.585  -3.820  -3.630
  347    H    ARG  46           HN       ARG  46  59.757  -3.878  -5.491
  348    HA   ARG  46           HA       ARG  46  59.901  -6.576  -6.555
  349   1HB   ARG  46           HB2      ARG  46  57.998  -4.484  -6.123
  350   2HB   ARG  46           HB1      ARG  46  57.882  -4.986  -7.811
  351   1HG   ARG  46           HG2      ARG  46  57.415  -7.231  -7.237
  352   2HG   ARG  46           HG1      ARG  46  57.995  -7.019  -5.584
  353   1HD   ARG  46           HD2      ARG  46  56.086  -5.564  -5.065
  354   2HD   ARG  46           HD1      ARG  46  55.515  -5.692  -6.741
  355    HE   ARG  46           HE       ARG  46  55.803  -8.091  -4.967
  356   1HH1  ARG  46          HH21      ARG  46  55.235  -9.064  -7.538
  357   2HH1  ARG  46          HH22      ARG  46  53.515  -8.956  -7.715
  358   1HH2  ARG  46          HH11      ARG  46  53.121  -6.707  -5.106
  359   2HH2  ARG  46          HH12      ARG  46  52.319  -7.623  -6.338
  360    H    MET  47           HN       MET  47  60.167  -3.314  -7.997
  361    HA   MET  47           HA       MET  47  60.628  -4.421 -10.680
  362   1HB   MET  47           HB2      MET  47  60.491  -2.165 -11.345
  363   2HB   MET  47           HB1      MET  47  59.466  -2.208  -9.911
  364   1HG   MET  47           HG2      MET  47  61.358  -1.401  -8.538
  365   2HG   MET  47           HG1      MET  47  62.376  -1.347  -9.977
  366   1HE   MET  47           HE1      MET  47  63.088   0.678 -10.330
  367   2HE   MET  47           HE3      MET  47  62.210   0.634 -11.866
  368   3HE   MET  47           HE2      MET  47  62.183   2.090 -10.872
  369    H    LEU  48           HN       LEU  48  62.557  -2.884  -8.114
  370    HA   LEU  48           HA       LEU  48  65.017  -2.554  -9.426
  371   1HB   LEU  48           HB2      LEU  48  63.978  -2.899  -6.705
  372   2HB   LEU  48           HB1      LEU  48  65.647  -3.447  -6.874
  373    HG   LEU  48           HG       LEU  48  64.664  -0.756  -7.859
  374   1HD1  LEU  48          HD12      LEU  48  64.615  -1.269  -5.285
  375   2HD1  LEU  48          HD11      LEU  48  66.369  -1.147  -5.414
  376   3HD1  LEU  48          HD13      LEU  48  65.355   0.228  -5.854
  377   1HD2  LEU  48          HD23      LEU  48  67.169  -2.276  -7.999
  378   2HD2  LEU  48          HD22      LEU  48  66.662  -0.865  -8.926
  379   3HD2  LEU  48          HD21      LEU  48  67.386  -0.658  -7.331
  380    H    GLY  49           HN       GLY  49  63.485  -5.523  -8.291
  381   1HA   GLY  49           HA2      GLY  49  64.345  -7.492  -9.751
  382   2HA   GLY  49           HA1      GLY  49  65.921  -7.053  -9.092
  383    H    GLN  50           HN       GLN  50  63.774  -6.402  -6.678
  384    HA   GLN  50           HA       GLN  50  64.268  -9.073  -5.419
  385   1HB   GLN  50           HB2      GLN  50  63.857  -6.259  -4.385
  386   2HB   GLN  50           HB1      GLN  50  63.843  -7.663  -3.318
  387   1HG   GLN  50           HG2      GLN  50  66.089  -7.287  -3.202
  388   2HG   GLN  50           HG1      GLN  50  66.114  -8.142  -4.745
  389   1HE2  GLN  50          HE22      GLN  50  67.851  -4.841  -5.177
  390   2HE2  GLN  50          HE21      GLN  50  68.094  -6.180  -4.161
  391    H    ASN  51           HN       ASN  51  62.472  -9.515  -3.657
  392    HA   ASN  51           HA       ASN  51  59.767  -8.639  -4.525
  393   1HB   ASN  51           HB2      ASN  51  61.040 -11.298  -4.925
  394   2HB   ASN  51           HB1      ASN  51  59.369 -11.316  -4.362
  395   1HD2  ASN  51          HD22      ASN  51  58.062  -9.891  -7.381
  396   2HD2  ASN  51          HD21      ASN  51  57.763 -10.073  -5.720
  397    HA   PRO  52           HA       PRO  52  60.459  -9.475   0.034
  398   1HB   PRO  52           HB2      PRO  52  60.085  -6.911   0.910
  399   2HB   PRO  52           HB1      PRO  52  61.673  -7.548   0.432
  400   1HG   PRO  52           HG2      PRO  52  59.799  -5.802  -1.078
  401   2HG   PRO  52           HG1      PRO  52  61.569  -5.780  -1.021
  402   1HD   PRO  52           HD2      PRO  52  60.111  -6.851  -3.081
  403   2HD   PRO  52           HD1      PRO  52  61.766  -7.348  -2.667
  404    H    THR  53           HN       THR  53  58.784  -8.996   1.795
  405    HA   THR  53           HA       THR  53  56.066  -9.035   0.587
  406    HB   THR  53           HB       THR  53  55.795  -9.597   3.252
  407    HG1  THR  53           HG1      THR  53  57.718 -11.012   3.555
  408   1HG2  THR  53          HG22      THR  53  55.452 -10.933   0.939
  409   2HG2  THR  53          HG21      THR  53  56.845 -11.813   1.571
  410   3HG2  THR  53          HG23      THR  53  55.357 -11.722   2.514
  411    HA   PRO  54           HA       PRO  54  54.884  -5.146   2.233
  412   1HB   PRO  54           HB2      PRO  54  52.429  -5.632   3.343
  413   2HB   PRO  54           HB1      PRO  54  52.709  -5.600   1.590
  414   1HG   PRO  54           HG2      PRO  54  52.449  -7.930   3.422
  415   2HG   PRO  54           HG1      PRO  54  51.852  -7.721   1.768
  416   1HD   PRO  54           HD2      PRO  54  54.087  -9.156   2.398
  417   2HD   PRO  54           HD1      PRO  54  53.842  -8.352   0.832
  418    H    GLU  55           HN       GLU  55  54.096  -7.722   4.599
  419    HA   GLU  55           HA       GLU  55  54.251  -6.056   6.929
  420   1HB   GLU  55           HB2      GLU  55  54.610  -9.028   6.440
  421   2HB   GLU  55           HB1      GLU  55  54.477  -8.315   8.049
  422   1HG   GLU  55           HG2      GLU  55  52.276  -7.336   7.389
  423   2HG   GLU  55           HG1      GLU  55  52.401  -8.174   5.842
  424    H    GLU  56           HN       GLU  56  56.703  -7.306   4.864
  425    HA   GLU  56           HA       GLU  56  58.810  -7.310   6.935
  426   1HB   GLU  56           HB2      GLU  56  58.475  -8.028   4.054
  427   2HB   GLU  56           HB1      GLU  56  60.106  -7.658   4.614
  428   1HG   GLU  56           HG2      GLU  56  59.580 -10.081   4.813
  429   2HG   GLU  56           HG1      GLU  56  59.914  -9.344   6.380
  430    H    LEU  57           HN       LEU  57  57.557  -5.202   4.425
  431    HA   LEU  57           HA       LEU  57  59.602  -3.471   3.783
  432   1HB   LEU  57           HB2      LEU  57  56.718  -3.396   4.088
  433   2HB   LEU  57           HB1      LEU  57  57.421  -1.828   4.484
  434    HG   LEU  57           HG       LEU  57  58.576  -1.742   2.353
  435   1HD1  LEU  57          HD13      LEU  57  57.601  -4.586   2.149
  436   2HD1  LEU  57          HD12      LEU  57  57.997  -3.665   0.698
  437   3HD1  LEU  57          HD11      LEU  57  59.234  -3.963   1.919
  438   1HD2  LEU  57          HD23      LEU  57  55.681  -2.082   2.569
  439   2HD2  LEU  57          HD22      LEU  57  56.599  -0.881   1.662
  440   3HD2  LEU  57          HD21      LEU  57  56.274  -2.463   0.953
  441    H    GLN  58           HN       GLN  58  57.447  -2.573   6.485
  442    HA   GLN  58           HA       GLN  58  59.160  -0.708   7.706
  443   1HB   GLN  58           HB2      GLN  58  56.732  -1.172   8.164
  444   2HB   GLN  58           HB1      GLN  58  57.221  -2.614   9.055
  445   1HG   GLN  58           HG2      GLN  58  56.859  -0.698  10.577
  446   2HG   GLN  58           HG1      GLN  58  58.541  -1.227  10.601
  447   1HE2  GLN  58          HE22      GLN  58  59.786   1.774   9.159
  448   2HE2  GLN  58          HE21      GLN  58  60.149   0.170   9.584
  449    H    GLU  59           HN       GLU  59  58.764  -4.164   8.580
  450    HA   GLU  59           HA       GLU  59  60.619  -4.394  10.643
  451   1HB   GLU  59           HB2      GLU  59  59.923  -6.213   8.324
  452   2HB   GLU  59           HB1      GLU  59  60.898  -6.748   9.694
  453   1HG   GLU  59           HG2      GLU  59  58.943  -5.795  11.141
  454   2HG   GLU  59           HG1      GLU  59  58.008  -5.911   9.648
  455    H    MET  60           HN       MET  60  61.300  -4.439   7.134
  456    HA   MET  60           HA       MET  60  64.163  -4.847   7.497
  457   1HB   MET  60           HB2      MET  60  62.168  -4.576   5.364
  458   2HB   MET  60           HB1      MET  60  63.719  -3.845   4.948
  459   1HG   MET  60           HG2      MET  60  63.597  -6.257   4.314
  460   2HG   MET  60           HG1      MET  60  64.885  -5.923   5.472
  461   1HE   MET  60           HE3      MET  60  65.008  -8.170   5.495
  462   2HE   MET  60           HE2      MET  60  64.651  -8.850   7.081
  463   3HE   MET  60           HE1      MET  60  63.678  -9.321   5.690
  464    H    ILE  61           HN       ILE  61  62.043  -2.059   7.331
  465    HA   ILE  61           HA       ILE  61  64.383  -0.234   7.015
  466    HB   ILE  61           HB       ILE  61  61.375   0.089   6.856
  467   1HG1  ILE  61          HG12      ILE  61  63.303   0.782   4.678
  468   2HG1  ILE  61          HG11      ILE  61  63.000  -0.926   4.992
  469   1HG2  ILE  61          HG22      ILE  61  63.597   2.125   6.867
  470   2HG2  ILE  61          HG21      ILE  61  62.100   2.433   5.987
  471   3HG2  ILE  61          HG23      ILE  61  62.059   2.165   7.730
  472   1HD1  ILE  61          HD13      ILE  61  60.457   0.117   5.042
  473   2HD1  ILE  61          HD12      ILE  61  61.231   1.101   3.801
  474   3HD1  ILE  61          HD11      ILE  61  61.198  -0.655   3.640
  475    H    ASP  62           HN       ASP  62  62.536  -1.633   9.472
  476    HA   ASP  62           HA       ASP  62  62.737   0.723  11.284
  477   1HB   ASP  62           HB2      ASP  62  60.767  -1.057  10.877
  478   2HB   ASP  62           HB1      ASP  62  61.656  -1.929  12.126
  479    H    GLU  63           HN       GLU  63  64.981  -1.261  10.299
  480    HA   GLU  63           HA       GLU  63  66.053  -1.820  13.047
  481   1HB   GLU  63           HB2      GLU  63  67.004  -3.872  12.100
  482   2HB   GLU  63           HB1      GLU  63  65.268  -3.833  11.796
  483   1HG   GLU  63           HG2      GLU  63  65.912  -2.699   9.546
  484   2HG   GLU  63           HG1      GLU  63  67.525  -3.335   9.865
  485    H    VAL  64           HN       VAL  64  66.653  -0.629   9.804
  486    HA   VAL  64           HA       VAL  64  69.527  -0.161  10.499
  487    HB   VAL  64           HB       VAL  64  68.799  -1.479   8.443
  488   1HG1  VAL  64          HG11      VAL  64  67.207   0.880   8.090
  489   2HG1  VAL  64          HG13      VAL  64  68.334   0.755   6.740
  490   3HG1  VAL  64          HG12      VAL  64  67.238  -0.578   7.102
  491   1HG2  VAL  64          HG22      VAL  64  70.861   0.370   8.816
  492   2HG2  VAL  64          HG21      VAL  64  70.782  -0.863   7.557
  493   3HG2  VAL  64          HG23      VAL  64  70.202   0.770   7.229
  494    H    ASP  65           HN       ASP  65  66.490   1.425   9.998
  495    HA   ASP  65           HA       ASP  65  67.413   3.997   9.111
  496   1HB   ASP  65           HB2      ASP  65  65.097   3.369   8.944
  497   2HB   ASP  65           HB1      ASP  65  65.004   3.019  10.670
  498    H    GLU  66           HN       GLU  66  69.377   4.161  10.549
  499    HA   GLU  66           HA       GLU  66  69.122   4.436  13.415
  500   1HB   GLU  66           HB2      GLU  66  71.429   5.215  13.225
  501   2HB   GLU  66           HB1      GLU  66  71.188   3.872  12.107
  502   1HG   GLU  66           HG2      GLU  66  70.503   5.898  10.475
  503   2HG   GLU  66           HG1      GLU  66  71.620   6.762  11.533
  504    H    ASP  67           HN       ASP  67  68.334   6.511  10.790
  505    HA   ASP  67           HA       ASP  67  68.823   9.075  12.013
  506   1HB   ASP  67           HB2      ASP  67  67.159   7.952   9.775
  507   2HB   ASP  67           HB1      ASP  67  66.930   9.633  10.259
  508    H    GLY  68           HN       GLY  68  66.451   6.636  12.578
  509   1HA   GLY  68           HA2      GLY  68  64.615   6.575  14.037
  510   2HA   GLY  68           HA1      GLY  68  65.263   8.043  14.769
  511    H    SER  69           HN       SER  69  64.458   7.852  11.357
  512    HA   SER  69           HA       SER  69  62.255   9.823  11.854
  513   1HB   SER  69           HB2      SER  69  62.814  10.388   9.404
  514   2HB   SER  69           HB1      SER  69  64.039  10.792  10.603
  515    HG   SER  69           HG       SER  69  64.370   9.323   8.498
  516    H    GLY  70           HN       GLY  70  63.209   7.095   9.738
  517   1HA   GLY  70           HA2      GLY  70  61.518   5.262   9.480
  518   2HA   GLY  70           HA1      GLY  70  60.293   6.527   9.369
  519    H    THR  71           HN       THR  71  62.731   7.900   7.776
  520    HA   THR  71           HA       THR  71  61.739   6.913   5.141
  521    HB   THR  71           HB       THR  71  62.417   9.064   4.346
  522    HG1  THR  71           HG1      THR  71  64.368   9.464   5.103
  523   1HG2  THR  71          HG22      THR  71  60.705   8.795   6.529
  524   2HG2  THR  71          HG21      THR  71  61.752  10.144   6.970
  525   3HG2  THR  71          HG23      THR  71  60.826  10.200   5.470
  526    H    VAL  72           HN       VAL  72  63.256   6.272   3.507
  527    HA   VAL  72           HA       VAL  72  65.950   5.516   4.574
  528    HB   VAL  72           HB       VAL  72  64.564   4.399   2.133
  529   1HG1  VAL  72          HG11      VAL  72  66.747   3.543   4.018
  530   2HG1  VAL  72          HG13      VAL  72  65.865   2.344   3.073
  531   3HG1  VAL  72          HG12      VAL  72  66.771   3.616   2.256
  532   1HG2  VAL  72          HG21      VAL  72  64.026   3.860   5.045
  533   2HG2  VAL  72          HG23      VAL  72  62.880   3.997   3.712
  534   3HG2  VAL  72          HG22      VAL  72  63.877   2.551   3.871
  535    H    ASP  73           HN       ASP  73  67.514   6.914   3.854
  536    HA   ASP  73           HA       ASP  73  67.157   8.291   1.236
  537   1HB   ASP  73           HB2      ASP  73  69.089   9.636   2.129
  538   2HB   ASP  73           HB1      ASP  73  67.686   9.642   3.198
  539    H    PHE  74           HN       PHE  74  69.641   8.636   0.290
  540    HA   PHE  74           HA       PHE  74  70.383   6.167  -0.896
  541   1HB   PHE  74           HB2      PHE  74  70.916   8.671  -1.449
  542   2HB   PHE  74           HB1      PHE  74  72.321   8.423  -0.412
  543    HD1  PHE  74           HD1      PHE  74  70.497   6.715  -3.213
  544    HD2  PHE  74           HD2      PHE  74  74.281   7.613  -1.389
  545    HE1  PHE  74           HE1      PHE  74  71.664   5.563  -5.071
  546    HE2  PHE  74           HE2      PHE  74  75.450   6.461  -3.250
  547    HZ   PHE  74           HZ       PHE  74  74.141   5.436  -5.091
  548    H    ASP  75           HN       ASP  75  71.326   7.616   2.160
  549    HA   ASP  75           HA       ASP  75  73.674   5.990   2.630
  550   1HB   ASP  75           HB2      ASP  75  71.797   7.722   4.219
  551   2HB   ASP  75           HB1      ASP  75  72.993   6.740   5.066
  552    H    GLU  76           HN       GLU  76  70.441   5.857   4.182
  553    HA   GLU  76           HA       GLU  76  70.865   3.204   5.258
  554   1HB   GLU  76           HB2      GLU  76  68.351   4.839   4.775
  555   2HB   GLU  76           HB1      GLU  76  68.471   3.446   5.851
  556   1HG   GLU  76           HG2      GLU  76  70.078   4.602   7.258
  557   2HG   GLU  76           HG1      GLU  76  70.137   5.962   6.136
  558    H    PHE  77           HN       PHE  77  69.226   4.475   2.369
  559    HA   PHE  77           HA       PHE  77  67.817   2.244   1.459
  560   1HB   PHE  77           HB2      PHE  77  67.817   4.419   0.366
  561   2HB   PHE  77           HB1      PHE  77  69.524   4.254  -0.043
  562    HD1  PHE  77           HD2      PHE  77  66.614   1.896  -0.264
  563    HD2  PHE  77           HD1      PHE  77  69.754   3.956  -2.347
  564    HE1  PHE  77           HE2      PHE  77  66.001   0.715  -2.356
  565    HE2  PHE  77           HE1      PHE  77  69.142   2.775  -4.440
  566    HZ   PHE  77           HZ       PHE  77  67.264   1.155  -4.444
  567    H    LEU  78           HN       LEU  78  71.312   2.895   1.110
  568    HA   LEU  78           HA       LEU  78  71.845   0.500  -0.443
  569   1HB   LEU  78           HB2      LEU  78  73.293   2.745   0.835
  570   2HB   LEU  78           HB1      LEU  78  74.228   1.260   0.658
  571    HG   LEU  78           HG       LEU  78  72.652   2.491  -1.614
  572   1HD1  LEU  78          HD13      LEU  78  74.443   4.031  -0.768
  573   2HD1  LEU  78          HD12      LEU  78  75.621   2.751  -1.052
  574   3HD1  LEU  78          HD11      LEU  78  74.738   3.455  -2.408
  575   1HD2  LEU  78          HD21      LEU  78  73.451  -0.007  -1.499
  576   2HD2  LEU  78          HD23      LEU  78  73.737   0.919  -2.974
  577   3HD2  LEU  78          HD22      LEU  78  75.045   0.677  -1.816
  578    H    VAL  79           HN       VAL  79  72.575   1.379   2.963
  579    HA   VAL  79           HA       VAL  79  73.691  -1.017   3.860
  580    HB   VAL  79           HB       VAL  79  71.709   0.832   5.233
  581   1HG1  VAL  79          HG13      VAL  79  72.116  -1.396   6.363
  582   2HG1  VAL  79          HG12      VAL  79  73.818  -0.952   6.477
  583   3HG1  VAL  79          HG11      VAL  79  72.599   0.006   7.317
  584   1HG2  VAL  79          HG23      VAL  79  74.054   1.569   4.143
  585   2HG2  VAL  79          HG22      VAL  79  73.475   2.250   5.663
  586   3HG2  VAL  79          HG21      VAL  79  74.657   0.941   5.676
  587    H    MET  80           HN       MET  80  70.188  -0.204   3.949
  588    HA   MET  80           HA       MET  80  69.112  -2.548   4.953
  589   1HB   MET  80           HB2      MET  80  68.257  -0.291   3.551
  590   2HB   MET  80           HB1      MET  80  67.722  -1.638   2.547
  591   1HG   MET  80           HG2      MET  80  66.466  -2.601   4.325
  592   2HG   MET  80           HG1      MET  80  67.246  -1.578   5.529
  593   1HE   MET  80           HE3      MET  80  65.402  -1.903   2.459
  594   2HE   MET  80           HE2      MET  80  63.838  -1.613   3.214
  595   3HE   MET  80           HE1      MET  80  64.530  -0.397   2.142
  596    H    MET  81           HN       MET  81  70.575  -2.063   1.783
  597    HA   MET  81           HA       MET  81  69.671  -4.604   0.668
  598   1HB   MET  81           HB2      MET  81  71.083  -2.201  -0.103
  599   2HB   MET  81           HB1      MET  81  71.964  -3.622  -0.669
  600   1HG   MET  81           HG2      MET  81  70.192  -4.360  -1.994
  601   2HG   MET  81           HG1      MET  81  68.988  -3.491  -1.043
  602   1HE   MET  81           HE3      MET  81  67.985  -3.114  -3.081
  603   2HE   MET  81           HE2      MET  81  67.762  -1.433  -2.602
  604   3HE   MET  81           HE1      MET  81  68.323  -1.811  -4.229
  605    H    VAL  82           HN       VAL  82  73.001  -3.454   1.335
  606    HA   VAL  82           HA       VAL  82  74.307  -5.932   1.287
  607    HB   VAL  82           HB       VAL  82  75.554  -3.899   1.409
  608   1HG1  VAL  82          HG11      VAL  82  73.872  -3.390   3.862
  609   2HG1  VAL  82          HG13      VAL  82  75.376  -2.512   3.584
  610   3HG1  VAL  82          HG12      VAL  82  74.050  -2.380   2.428
  611   1HG2  VAL  82          HG23      VAL  82  75.931  -5.956   3.336
  612   2HG2  VAL  82          HG22      VAL  82  77.145  -4.857   2.682
  613   3HG2  VAL  82          HG21      VAL  82  76.260  -4.424   4.145
  614    H    ARG  83           HN       ARG  83  72.233  -4.580   3.771
  615    HA   ARG  83           HA       ARG  83  72.988  -6.147   6.016
  616   1HB   ARG  83           HB2      ARG  83  70.419  -4.912   5.013
  617   2HB   ARG  83           HB1      ARG  83  70.475  -5.769   6.553
  618   1HG   ARG  83           HG2      ARG  83  72.702  -3.908   6.267
  619   2HG   ARG  83           HG1      ARG  83  71.143  -3.092   6.143
  620   1HD   ARG  83           HD2      ARG  83  72.096  -4.868   8.417
  621   2HD   ARG  83           HD1      ARG  83  71.706  -3.137   8.492
  622    HE   ARG  83           HE       ARG  83  69.432  -4.463   7.446
  623   1HH1  ARG  83          HH21      ARG  83  70.332  -2.911  10.168
  624   2HH1  ARG  83          HH22      ARG  83  69.442  -3.887  11.288
  625   1HH2  ARG  83          HH11      ARG  83  68.688  -6.344   8.958
  626   2HH2  ARG  83          HH12      ARG  83  68.512  -5.832  10.603
  627    H    CYS  84           HN       CYS  84  70.342  -6.787   3.675
  628    HA   CYS  84           HA       CYS  84  69.902  -9.492   4.623
  629   1HB   CYS  84           HB2      CYS  84  68.469  -7.691   3.249
  630   2HB   CYS  84           HB1      CYS  84  69.132  -8.583   1.879
  631    HG   CYS  84           HG       CYS  84  67.382  -9.902   4.114
  632    H    MET  85           HN       MET  85  72.248  -8.062   2.571
  633    HA   MET  85           HA       MET  85  72.761 -10.568   1.058
  634   1HB   MET  85           HB2      MET  85  73.979  -7.787   1.017
  635   2HB   MET  85           HB1      MET  85  74.399  -9.081  -0.107
  636   1HG   MET  85           HG2      MET  85  71.749  -9.149  -0.435
  637   2HG   MET  85           HG1      MET  85  71.891  -7.468   0.076
  638   1HE   MET  85           HE1      MET  85  72.441  -5.678  -1.168
  639   2HE   MET  85           HE3      MET  85  74.178  -5.996  -1.068
  640   3HE   MET  85           HE2      MET  85  73.444  -5.571  -2.612
  641    H    LYS  86           HN       LYS  86  73.378  -9.814   4.094
  642    HA   LYS  86           HA       LYS  86  76.208  -9.851   4.445
  643   1HB   LYS  86           HB2      LYS  86  73.758 -10.121   5.982
  644   2HB   LYS  86           HB1      LYS  86  74.997 -11.218   6.590
  645   1HG   LYS  86           HG2      LYS  86  76.556  -9.099   6.351
  646   2HG   LYS  86           HG1      LYS  86  75.028  -8.222   6.440
  647   1HD   LYS  86           HD2      LYS  86  75.148 -10.322   8.447
  648   2HD   LYS  86           HD1      LYS  86  76.507  -9.208   8.606
  649   1HE   LYS  86           HE2      LYS  86  74.317  -7.534   8.117
  650   2HE   LYS  86           HE1      LYS  86  73.698  -8.762   9.240
  651   1HZ   LYS  86           HZ2      LYS  86  76.018  -8.407  10.349
  652   2HZ   LYS  86           HZ1      LYS  86  75.937  -6.891   9.585
  653   3HZ   LYS  86           HZ3      LYS  86  74.737  -7.345  10.694
  654    H    ASP  87           HN       ASP  87  77.281 -11.436   3.209
  655    HA   ASP  87           HA       ASP  87  76.371 -14.161   2.923
  656   1HB   ASP  87           HB2      ASP  87  78.190 -12.513   1.733
  657   2HB   ASP  87           HB1      ASP  87  79.260 -13.526   2.705
  658    H    ASP  88           HN       ASP  88  78.012 -15.980   3.657
  659    HA   ASP  88           HA       ASP  88  78.161 -15.853   6.592
  660   1HB   ASP  88           HB2      ASP  88  77.673 -17.778   4.673
  661   2HB   ASP  88           HB1      ASP  88  79.326 -18.151   5.165
  662    H    SER  89           HN       SER  89  80.220 -14.987   4.053
  663    HA   SER  89           HA       SER  89  82.545 -14.920   5.904
  664   1HB   SER  89           HB2      SER  89  83.056 -16.955   4.906
  665   2HB   SER  89           HB1      SER  89  82.218 -16.546   3.411
  666    HG   SER  89           HG       SER  89  84.762 -16.437   3.808
   
  No H/Q in entry =         666
  Start of MODEL   13
    1   1H    MET   1           HT3      MET   1  81.575  -0.095  19.149
    2   2H    MET   1           HT2      MET   1  82.800  -1.270  19.214
    3   3H    MET   1           HT1      MET   1  83.178   0.369  19.454
    4    HA   MET   1           HA       MET   1  83.177   0.853  17.250
    5   1HB   MET   1           HB2      MET   1  84.551  -1.284  17.945
    6   2HB   MET   1           HB1      MET   1  83.381  -2.130  16.931
    7   1HG   MET   1           HG2      MET   1  85.296  -1.529  15.561
    8   2HG   MET   1           HG1      MET   1  83.923  -0.534  15.074
    9   1HE   MET   1           HE2      MET   1  87.457  -0.624  15.684
   10   2HE   MET   1           HE1      MET   1  87.911   0.685  16.772
   11   3HE   MET   1           HE3      MET   1  87.058  -0.733  17.396
   12    H    ASP   2           HN       ASP   2  82.220   0.473  15.059
   13    HA   ASP   2           HA       ASP   2  79.915  -1.252  14.717
   14   1HB   ASP   2           HB2      ASP   2  79.407   0.862  16.314
   15   2HB   ASP   2           HB1      ASP   2  79.122   1.620  14.746
   16    H    ASP   3           HN       ASP   3  82.222  -0.756  13.163
   17    HA   ASP   3           HA       ASP   3  81.169   0.839  10.850
   18   1HB   ASP   3           HB2      ASP   3  83.815   0.369  12.120
   19   2HB   ASP   3           HB1      ASP   3  83.815   0.467  10.359
   20    H    ILE   4           HN       ILE   4  81.210  -2.255  11.863
   21    HA   ILE   4           HA       ILE   4  82.448  -3.817   9.858
   22    HB   ILE   4           HB       ILE   4  79.832  -4.260  11.335
   23   1HG1  ILE   4          HG12      ILE   4  82.380  -5.460  12.273
   24   2HG1  ILE   4          HG11      ILE   4  82.232  -3.714  12.484
   25   1HG2  ILE   4          HG21      ILE   4  81.227  -5.835   9.403
   26   2HG2  ILE   4          HG23      ILE   4  81.404  -6.622  10.972
   27   3HG2  ILE   4          HG22      ILE   4  79.796  -6.275  10.336
   28   1HD1  ILE   4          HD11      ILE   4  79.759  -4.578  13.304
   29   2HD1  ILE   4          HD13      ILE   4  80.797  -5.896  13.849
   30   3HD1  ILE   4          HD12      ILE   4  81.112  -4.247  14.387
   31    H    TYR   5           HN       TYR   5  78.953  -3.017   9.989
   32    HA   TYR   5           HA       TYR   5  78.402  -3.794   7.292
   33   1HB   TYR   5           HB2      TYR   5  77.098  -2.052   9.379
   34   2HB   TYR   5           HB1      TYR   5  76.381  -2.209   7.775
   35    HD1  TYR   5           HD1      TYR   5  77.634  -4.214  10.669
   36    HD2  TYR   5           HD2      TYR   5  75.079  -4.094   7.217
   37    HE1  TYR   5           HE1      TYR   5  76.655  -6.399  11.317
   38    HE2  TYR   5           HE2      TYR   5  74.102  -6.280   7.864
   39    HH   TYR   5           HH       TYR   5  74.397  -8.098   9.206
   40    H    LYS   6           HN       LYS   6  79.666  -0.828   8.677
   41    HA   LYS   6           HA       LYS   6  79.081   0.948   6.498
   42   1HB   LYS   6           HB2      LYS   6  80.491   0.895   9.002
   43   2HB   LYS   6           HB1      LYS   6  81.528   1.642   7.784
   44   1HG   LYS   6           HG2      LYS   6  80.083   3.406   7.429
   45   2HG   LYS   6           HG1      LYS   6  78.655   2.458   7.850
   46   1HD   LYS   6           HD2      LYS   6  79.239   2.544  10.215
   47   2HD   LYS   6           HD1      LYS   6  80.750   3.376   9.842
   48   1HE   LYS   6           HE2      LYS   6  79.565   5.300  10.154
   49   2HE   LYS   6           HE1      LYS   6  78.825   4.948   8.579
   50   1HZ   LYS   6           HZ1      LYS   6  77.813   3.527  10.932
   51   2HZ   LYS   6           HZ3      LYS   6  77.361   5.150  10.739
   52   3HZ   LYS   6           HZ2      LYS   6  76.991   4.017   9.528
   53    H    ALA   7           HN       ALA   7  81.308  -1.665   6.801
   54    HA   ALA   7           HA       ALA   7  83.179  -0.648   4.755
   55   1HB   ALA   7           HB2      ALA   7  83.135  -2.566   6.864
   56   2HB   ALA   7           HB1      ALA   7  83.447  -3.444   5.367
   57   3HB   ALA   7           HB3      ALA   7  84.503  -2.117   5.848
   58    H    ALA   8           HN       ALA   8  80.640  -3.126   5.070
   59    HA   ALA   8           HA       ALA   8  80.911  -4.361   2.526
   60   1HB   ALA   8           HB3      ALA   8  79.236  -4.435   4.775
   61   2HB   ALA   8           HB2      ALA   8  78.160  -4.051   3.431
   62   3HB   ALA   8           HB1      ALA   8  79.153  -5.508   3.377
   63    H    VAL   9           HN       VAL   9  78.882  -1.577   3.511
   64    HA   VAL   9           HA       VAL   9  77.601  -1.047   1.059
   65    HB   VAL   9           HB       VAL   9  78.700   0.851   3.160
   66   1HG1  VAL   9          HG12      VAL   9  77.775   1.624   0.754
   67   2HG1  VAL   9          HG11      VAL   9  76.235   1.441   1.594
   68   3HG1  VAL   9          HG13      VAL   9  77.458   2.544   2.224
   69   1HG2  VAL   9          HG23      VAL   9  76.730  -1.176   3.314
   70   2HG2  VAL   9          HG22      VAL   9  77.057   0.086   4.502
   71   3HG2  VAL   9          HG21      VAL   9  75.854   0.354   3.239
   72    H    GLU  10           HN       GLU  10  80.601   0.542   2.232
   73    HA   GLU  10           HA       GLU  10  81.230   1.823  -0.244
   74   1HB   GLU  10           HB2      GLU  10  82.181   1.725   2.359
   75   2HB   GLU  10           HB1      GLU  10  83.500   1.008   1.433
   76   1HG   GLU  10           HG2      GLU  10  82.184   3.565   0.527
   77   2HG   GLU  10           HG1      GLU  10  83.488   3.585   1.716
   78    H    GLN  11           HN       GLN  11  81.997  -1.397   1.017
   79    HA   GLN  11           HA       GLN  11  84.021  -2.205  -0.772
   80   1HB   GLN  11           HB2      GLN  11  82.131  -3.339   1.082
   81   2HB   GLN  11           HB1      GLN  11  82.223  -4.366  -0.348
   82   1HG   GLN  11           HG2      GLN  11  84.163  -5.199   0.428
   83   2HG   GLN  11           HG1      GLN  11  84.881  -3.598   0.245
   84   1HE2  GLN  11          HE22      GLN  11  84.743  -2.843   3.718
   85   2HE2  GLN  11          HE21      GLN  11  84.985  -2.213   2.159
   86    H    LEU  12           HN       LEU  12  80.493  -2.129  -1.237
   87    HA   LEU  12           HA       LEU  12  80.101  -3.549  -3.575
   88   1HB   LEU  12           HB2      LEU  12  79.080  -0.847  -2.669
   89   2HB   LEU  12           HB1      LEU  12  78.410  -1.689  -4.067
   90    HG   LEU  12           HG       LEU  12  78.640  -2.994  -1.350
   91   1HD1  LEU  12          HD11      LEU  12  76.726  -0.986  -2.336
   92   2HD1  LEU  12          HD13      LEU  12  75.965  -2.457  -1.729
   93   3HD1  LEU  12          HD12      LEU  12  77.041  -1.526  -0.686
   94   1HD2  LEU  12          HD22      LEU  12  77.801  -3.795  -4.007
   95   2HD2  LEU  12          HD21      LEU  12  77.997  -4.785  -2.561
   96   3HD2  LEU  12          HD23      LEU  12  76.468  -3.959  -2.864
   97    H    THR  13           HN       THR  13  80.316  -3.077  -5.835
   98    HA   THR  13           HA       THR  13  82.686  -1.629  -6.607
   99    HB   THR  13           HB       THR  13  80.970  -2.047  -8.833
  100    HG1  THR  13           HG1      THR  13  79.595  -3.360  -7.879
  101   1HG2  THR  13          HG22      THR  13  83.320  -3.445  -7.591
  102   2HG2  THR  13          HG21      THR  13  82.519  -4.153  -8.993
  103   3HG2  THR  13          HG23      THR  13  83.235  -2.545  -9.106
  104    H    GLU  14           HN       GLU  14  82.724   0.260  -8.065
  105    HA   GLU  14           HA       GLU  14  81.237   2.490  -7.168
  106   1HB   GLU  14           HB2      GLU  14  83.173   1.783  -9.195
  107   2HB   GLU  14           HB1      GLU  14  81.999   2.919  -9.860
  108   1HG   GLU  14           HG2      GLU  14  83.343   4.483  -8.882
  109   2HG   GLU  14           HG1      GLU  14  82.449   4.046  -7.425
  110    H    GLU  15           HN       GLU  15  80.717   0.514 -10.114
  111    HA   GLU  15           HA       GLU  15  78.446   1.900 -11.106
  112   1HB   GLU  15           HB2      GLU  15  78.058  -0.242 -12.306
  113   2HB   GLU  15           HB1      GLU  15  79.762   0.213 -12.329
  114   1HG   GLU  15           HG2      GLU  15  79.897  -1.228 -10.141
  115   2HG   GLU  15           HG1      GLU  15  78.406  -1.951 -10.744
  116    H    GLN  16           HN       GLN  16  78.699  -0.683  -8.675
  117    HA   GLN  16           HA       GLN  16  75.985  -1.398  -8.401
  118   1HB   GLN  16           HB2      GLN  16  78.001  -2.421  -7.313
  119   2HB   GLN  16           HB1      GLN  16  78.063  -1.039  -6.219
  120   1HG   GLN  16           HG2      GLN  16  76.773  -2.414  -4.911
  121   2HG   GLN  16           HG1      GLN  16  75.477  -1.730  -5.893
  122   1HE2  GLN  16          HE22      GLN  16  76.690  -5.592  -6.600
  123   2HE2  GLN  16          HE21      GLN  16  77.723  -4.533  -5.768
  124    H    LYS  17           HN       LYS  17  77.609   0.775  -6.069
  125    HA   LYS  17           HA       LYS  17  75.252   1.914  -5.002
  126   1HB   LYS  17           HB2      LYS  17  76.902   3.783  -4.381
  127   2HB   LYS  17           HB1      LYS  17  77.351   2.151  -3.885
  128   1HG   LYS  17           HG2      LYS  17  78.333   2.500  -6.526
  129   2HG   LYS  17           HG1      LYS  17  78.776   3.947  -5.620
  130   1HD   LYS  17           HD2      LYS  17  79.189   1.214  -4.425
  131   2HD   LYS  17           HD1      LYS  17  80.379   1.896  -5.535
  132   1HE   LYS  17           HE2      LYS  17  81.089   2.537  -3.326
  133   2HE   LYS  17           HE1      LYS  17  80.348   3.988  -4.032
  134   1HZ   LYS  17           HZ2      LYS  17  78.695   2.021  -2.585
  135   2HZ   LYS  17           HZ1      LYS  17  79.553   3.206  -1.721
  136   3HZ   LYS  17           HZ3      LYS  17  78.392   3.669  -2.868
  137    H    ASN  18           HN       ASN  18  77.093   2.799  -7.894
  138    HA   ASN  18           HA       ASN  18  75.831   5.351  -8.354
  139   1HB   ASN  18           HB2      ASN  18  77.527   3.374  -9.788
  140   2HB   ASN  18           HB1      ASN  18  76.618   4.490 -10.806
  141   1HD2  ASN  18          HD21      ASN  18  79.528   4.176  -9.145
  142   2HD2  ASN  18          HD22      ASN  18  79.922   5.820  -8.996
  143    H    GLU  19           HN       GLU  19  74.976   2.024  -9.186
  144    HA   GLU  19           HA       GLU  19  72.915   2.666 -11.106
  145   1HB   GLU  19           HB2      GLU  19  74.160   0.396  -9.851
  146   2HB   GLU  19           HB1      GLU  19  72.409   0.193  -9.794
  147   1HG   GLU  19           HG2      GLU  19  73.924   0.951 -12.306
  148   2HG   GLU  19           HG1      GLU  19  73.484  -0.707 -11.894
  149    H    PHE  20           HN       PHE  20  72.841   1.905  -7.611
  150    HA   PHE  20           HA       PHE  20  69.992   2.011  -7.312
  151   1HB   PHE  20           HB2      PHE  20  72.318   2.494  -5.428
  152   2HB   PHE  20           HB1      PHE  20  70.646   2.332  -4.892
  153    HD1  PHE  20           HD2      PHE  20  69.571   0.240  -6.614
  154    HD2  PHE  20           HD1      PHE  20  73.438   0.539  -4.769
  155    HE1  PHE  20           HE2      PHE  20  69.789  -2.229  -6.670
  156    HE2  PHE  20           HE1      PHE  20  73.655  -1.931  -4.825
  157    HZ   PHE  20           HZ       PHE  20  71.831  -3.315  -5.775
  158    H    LYS  21           HN       LYS  21  72.390   4.525  -7.623
  159    HA   LYS  21           HA       LYS  21  71.005   6.650  -6.280
  160   1HB   LYS  21           HB2      LYS  21  73.438   6.352  -7.268
  161   2HB   LYS  21           HB1      LYS  21  72.714   7.063  -8.712
  162   1HG   LYS  21           HG2      LYS  21  72.333   9.100  -7.692
  163   2HG   LYS  21           HG1      LYS  21  72.177   8.384  -6.087
  164   1HD   LYS  21           HD2      LYS  21  74.373   8.665  -5.651
  165   2HD   LYS  21           HD1      LYS  21  74.836   7.961  -7.201
  166   1HE   LYS  21           HE2      LYS  21  75.593  10.283  -7.154
  167   2HE   LYS  21           HE1      LYS  21  74.233  10.171  -8.289
  168   1HZ   LYS  21           HZ3      LYS  21  72.895  10.537  -6.059
  169   2HZ   LYS  21           HZ2      LYS  21  74.324  11.338  -5.609
  170   3HZ   LYS  21           HZ1      LYS  21  73.458  11.843  -6.982
  171    H    ALA  22           HN       ALA  22  71.122   5.778  -9.762
  172    HA   ALA  22           HA       ALA  22  69.359   7.763 -10.730
  173   1HB   ALA  22           HB1      ALA  22  70.720   5.488 -11.648
  174   2HB   ALA  22           HB3      ALA  22  69.025   5.173 -12.019
  175   3HB   ALA  22           HB2      ALA  22  69.809   6.629 -12.636
  176    H    ALA  23           HN       ALA  23  68.487   4.365  -9.952
  177    HA   ALA  23           HA       ALA  23  65.662   4.740 -10.141
  178   1HB   ALA  23           HB2      ALA  23  67.540   2.789  -8.825
  179   2HB   ALA  23           HB1      ALA  23  65.803   2.641  -8.561
  180   3HB   ALA  23           HB3      ALA  23  66.459   2.531 -10.194
  181    H    PHE  24           HN       PHE  24  67.906   5.007  -7.391
  182    HA   PHE  24           HA       PHE  24  66.148   5.274  -5.237
  183   1HB   PHE  24           HB2      PHE  24  68.507   5.276  -4.898
  184   2HB   PHE  24           HB1      PHE  24  68.740   6.636  -5.995
  185    HD1  PHE  24           HD1      PHE  24  67.686   8.898  -5.338
  186    HD2  PHE  24           HD2      PHE  24  68.200   5.634  -2.595
  187    HE1  PHE  24           HE1      PHE  24  67.477  10.468  -3.431
  188    HE2  PHE  24           HE2      PHE  24  67.990   7.203  -0.687
  189    HZ   PHE  24           HZ       PHE  24  67.628   9.620  -1.104
  190    H    ASP  25           HN       ASP  25  67.052   7.732  -7.649
  191    HA   ASP  25           HA       ASP  25  65.576   9.898  -6.421
  192   1HB   ASP  25           HB2      ASP  25  66.976   9.285  -8.987
  193   2HB   ASP  25           HB1      ASP  25  65.861  10.653  -8.979
  194    H    ILE  26           HN       ILE  26  64.614   7.175  -8.335
  195    HA   ILE  26           HA       ILE  26  62.262   8.406  -9.536
  196    HB   ILE  26           HB       ILE  26  63.128   5.537  -9.098
  197   1HG1  ILE  26          HG12      ILE  26  63.571   7.606 -11.243
  198   2HG1  ILE  26          HG11      ILE  26  64.739   6.511 -10.505
  199   1HG2  ILE  26          HG23      ILE  26  60.620   6.079  -9.536
  200   2HG2  ILE  26          HG22      ILE  26  61.157   6.516 -11.158
  201   3HG2  ILE  26          HG21      ILE  26  61.402   4.876 -10.561
  202   1HD1  ILE  26          HD12      ILE  26  62.915   4.774 -11.648
  203   2HD1  ILE  26          HD11      ILE  26  62.990   6.089 -12.820
  204   3HD1  ILE  26          HD13      ILE  26  64.463   5.236 -12.356
  205    H    PHE  27           HN       PHE  27  62.872   6.387  -6.654
  206    HA   PHE  27           HA       PHE  27  60.090   6.028  -5.967
  207   1HB   PHE  27           HB2      PHE  27  62.467   6.031  -4.098
  208   2HB   PHE  27           HB1      PHE  27  61.007   5.048  -3.992
  209    HD1  PHE  27           HD1      PHE  27  60.545   3.710  -6.347
  210    HD2  PHE  27           HD2      PHE  27  64.370   4.901  -4.800
  211    HE1  PHE  27           HE1      PHE  27  61.642   1.945  -7.701
  212    HE2  PHE  27           HE2      PHE  27  65.468   3.137  -6.153
  213    HZ   PHE  27           HZ       PHE  27  64.104   1.659  -7.604
  214    H    VAL  28           HN       VAL  28  62.539   8.461  -5.138
  215    HA   VAL  28           HA       VAL  28  60.816   9.802  -3.184
  216    HB   VAL  28           HB       VAL  28  62.737  11.336  -3.092
  217   1HG1  VAL  28          HG13      VAL  28  62.743   8.726  -2.351
  218   2HG1  VAL  28          HG12      VAL  28  64.136   8.746  -3.433
  219   3HG1  VAL  28          HG11      VAL  28  64.088   9.824  -2.038
  220   1HG2  VAL  28          HG22      VAL  28  63.071  10.426  -5.792
  221   2HG2  VAL  28          HG21      VAL  28  63.934  11.720  -4.959
  222   3HG2  VAL  28          HG23      VAL  28  64.541  10.065  -4.887
  223    H    LEU  29           HN       LEU  29  60.642   9.612  -6.471
  224    HA   LEU  29           HA       LEU  29  60.525  12.177  -7.560
  225   1HB   LEU  29           HB2      LEU  29  59.166   9.569  -7.945
  226   2HB   LEU  29           HB1      LEU  29  58.362  10.955  -8.682
  227    HG   LEU  29           HG       LEU  29  61.319  10.471  -9.041
  228   1HD1  LEU  29          HD13      LEU  29  59.965   8.481  -9.802
  229   2HD1  LEU  29          HD12      LEU  29  59.115   9.559 -10.908
  230   3HD1  LEU  29          HD11      LEU  29  60.848   9.291 -11.096
  231   1HD2  LEU  29          HD21      LEU  29  59.208  12.249 -10.180
  232   2HD2  LEU  29          HD23      LEU  29  60.897  12.605  -9.818
  233   3HD2  LEU  29          HD22      LEU  29  60.477  11.697 -11.271
  234    H    GLY  30           HN       GLY  30  58.144  10.596  -5.452
  235   1HA   GLY  30           HA2      GLY  30  56.601  13.157  -5.406
  236   2HA   GLY  30           HA1      GLY  30  55.889  11.575  -5.087
  237    H    ALA  31           HN       ALA  31  59.033  12.123  -3.789
  238    HA   ALA  31           HA       ALA  31  58.142  11.715  -1.076
  239   1HB   ALA  31           HB2      ALA  31  60.719  12.614  -2.389
  240   2HB   ALA  31           HB1      ALA  31  60.587  12.347  -0.650
  241   3HB   ALA  31           HB3      ALA  31  60.328  11.009  -1.770
  242    H    GLU  32           HN       GLU  32  59.339  13.503   0.541
  243    HA   GLU  32           HA       GLU  32  58.026  16.107  -0.159
  244   1HB   GLU  32           HB2      GLU  32  58.698  14.883   2.537
  245   2HB   GLU  32           HB1      GLU  32  57.736  16.336   2.262
  246   1HG   GLU  32           HG2      GLU  32  56.010  15.063   1.145
  247   2HG   GLU  32           HG1      GLU  32  57.001  13.605   1.174
  248    H    ASP  33           HN       ASP  33  60.962  14.574   1.075
  249    HA   ASP  33           HA       ASP  33  62.362  17.213   0.807
  250   1HB   ASP  33           HB2      ASP  33  63.782  16.201   2.759
  251   2HB   ASP  33           HB1      ASP  33  62.200  16.881   3.134
  252    H    GLY  34           HN       GLY  34  62.077  14.250  -0.529
  253   1HA   GLY  34           HA2      GLY  34  63.563  13.448  -2.256
  254   2HA   GLY  34           HA1      GLY  34  64.896  14.289  -1.460
  255    H    CYS  35           HN       CYS  35  62.515  11.756  -0.556
  256    HA   CYS  35           HA       CYS  35  64.780   9.997   0.237
  257   1HB   CYS  35           HB2      CYS  35  62.656  11.192   2.015
  258   2HB   CYS  35           HB1      CYS  35  63.419   9.659   2.438
  259    HG   CYS  35           HG       CYS  35  65.560  10.840   2.961
  260    H    ILE  36           HN       ILE  36  64.111   7.752   0.422
  261    HA   ILE  36           HA       ILE  36  61.613   7.159  -1.091
  262    HB   ILE  36           HB       ILE  36  63.693   5.149  -0.240
  263   1HG1  ILE  36          HG12      ILE  36  63.970   6.988  -2.641
  264   2HG1  ILE  36          HG11      ILE  36  64.890   7.177  -1.149
  265   1HG2  ILE  36          HG23      ILE  36  61.533   5.401  -2.226
  266   2HG2  ILE  36          HG22      ILE  36  63.032   4.743  -2.882
  267   3HG2  ILE  36          HG21      ILE  36  62.245   3.951  -1.515
  268   1HD1  ILE  36          HD11      ILE  36  64.870   4.511  -2.521
  269   2HD1  ILE  36          HD13      ILE  36  65.905   5.792  -3.150
  270   3HD1  ILE  36          HD12      ILE  36  66.113   5.225  -1.493
  271    H    SER  37           HN       SER  37  60.037   7.375   0.573
  272    HA   SER  37           HA       SER  37  60.248   6.375   3.229
  273   1HB   SER  37           HB2      SER  37  58.364   7.624   3.162
  274   2HB   SER  37           HB1      SER  37  58.289   7.500   1.407
  275    HG   SER  37           HG       SER  37  56.530   6.521   2.763
  276    H    THR  38           HN       THR  38  58.933   4.508   4.103
  277    HA   THR  38           HA       THR  38  59.661   2.032   2.850
  278    HB   THR  38           HB       THR  38  59.300   2.434   5.281
  279    HG1  THR  38           HG1      THR  38  58.773   0.346   3.966
  280   1HG2  THR  38          HG23      THR  38  57.270   3.902   4.858
  281   2HG2  THR  38          HG22      THR  38  56.355   2.416   4.606
  282   3HG2  THR  38          HG21      THR  38  57.103   2.737   6.171
  283    H    LYS  39           HN       LYS  39  56.598   3.848   2.975
  284    HA   LYS  39           HA       LYS  39  54.782   2.052   1.886
  285   1HB   LYS  39           HB2      LYS  39  55.261   4.998   1.369
  286   2HB   LYS  39           HB1      LYS  39  53.816   4.156   0.808
  287   1HG   LYS  39           HG2      LYS  39  54.676   4.029   3.698
  288   2HG   LYS  39           HG1      LYS  39  53.683   5.357   3.096
  289   1HD   LYS  39           HD2      LYS  39  51.833   4.060   2.961
  290   2HD   LYS  39           HD1      LYS  39  52.723   2.722   2.234
  291   1HE   LYS  39           HE2      LYS  39  53.629   2.144   4.500
  292   2HE   LYS  39           HE1      LYS  39  52.588   3.405   5.192
  293   1HZ   LYS  39           HZ1      LYS  39  51.563   1.268   3.410
  294   2HZ   LYS  39           HZ3      LYS  39  51.583   1.113   5.098
  295   3HZ   LYS  39           HZ2      LYS  39  50.664   2.342   4.370
  296    H    GLU  40           HN       GLU  40  57.425   3.712   0.226
  297    HA   GLU  40           HA       GLU  40  56.558   2.592  -2.393
  298   1HB   GLU  40           HB2      GLU  40  57.706   4.983  -1.509
  299   2HB   GLU  40           HB1      GLU  40  59.033   4.136  -2.306
  300   1HG   GLU  40           HG2      GLU  40  58.122   4.429  -4.356
  301   2HG   GLU  40           HG1      GLU  40  56.520   3.948  -3.796
  302    H    LEU  41           HN       LEU  41  58.757   1.950   0.188
  303    HA   LEU  41           HA       LEU  41  61.018   0.830  -0.974
  304   1HB   LEU  41           HB2      LEU  41  60.356   0.991   1.467
  305   2HB   LEU  41           HB1      LEU  41  59.360  -0.445   1.224
  306    HG   LEU  41           HG       LEU  41  61.689  -0.898   2.129
  307   1HD1  LEU  41          HD11      LEU  41  60.149  -2.424   0.596
  308   2HD1  LEU  41          HD13      LEU  41  61.455  -2.188  -0.564
  309   3HD1  LEU  41          HD12      LEU  41  61.790  -2.923   1.003
  310   1HD2  LEU  41          HD23      LEU  41  62.539   0.900   0.322
  311   2HD2  LEU  41          HD22      LEU  41  63.572  -0.411   0.891
  312   3HD2  LEU  41          HD21      LEU  41  62.727  -0.560  -0.648
  313    H    GLY  42           HN       GLY  42  58.061  -1.073  -0.234
  314   1HA   GLY  42           HA2      GLY  42  58.725  -3.431  -1.560
  315   2HA   GLY  42           HA1      GLY  42  57.069  -2.826  -1.463
  316    H    LYS  43           HN       LYS  43  57.127  -0.568  -2.996
  317    HA   LYS  43           HA       LYS  43  57.028  -1.554  -5.677
  318   1HB   LYS  43           HB2      LYS  43  56.788   0.998  -4.203
  319   2HB   LYS  43           HB1      LYS  43  57.271   1.173  -5.890
  320   1HG   LYS  43           HG2      LYS  43  55.136  -0.790  -5.562
  321   2HG   LYS  43           HG1      LYS  43  54.669   0.806  -4.972
  322   1HD   LYS  43           HD2      LYS  43  55.327   1.817  -7.106
  323   2HD   LYS  43           HD1      LYS  43  55.866   0.246  -7.701
  324   1HE   LYS  43           HE2      LYS  43  53.031   0.630  -6.726
  325   2HE   LYS  43           HE1      LYS  43  53.488   1.011  -8.398
  326   1HZ   LYS  43           HZ1      LYS  43  54.599  -1.232  -8.426
  327   2HZ   LYS  43           HZ3      LYS  43  53.782  -1.576  -6.980
  328   3HZ   LYS  43           HZ2      LYS  43  52.901  -1.260  -8.397
  329    H    VAL  44           HN       VAL  44  59.548   0.133  -3.843
  330    HA   VAL  44           HA       VAL  44  61.331   0.697  -6.012
  331    HB   VAL  44           HB       VAL  44  61.834   0.080  -3.079
  332   1HG1  VAL  44          HG12      VAL  44  63.596   0.772  -5.293
  333   2HG1  VAL  44          HG11      VAL  44  63.669   1.976  -4.007
  334   3HG1  VAL  44          HG13      VAL  44  64.008   0.284  -3.649
  335   1HG2  VAL  44          HG23      VAL  44  60.513   2.261  -4.429
  336   2HG2  VAL  44          HG22      VAL  44  60.763   2.026  -2.699
  337   3HG2  VAL  44          HG21      VAL  44  61.989   2.850  -3.663
  338    H    MET  45           HN       MET  45  61.378  -2.002  -3.645
  339    HA   MET  45           HA       MET  45  63.435  -3.483  -5.034
  340   1HB   MET  45           HB2      MET  45  61.338  -4.122  -2.941
  341   2HB   MET  45           HB1      MET  45  62.523  -5.314  -3.482
  342   1HG   MET  45           HG2      MET  45  63.882  -2.848  -2.910
  343   2HG   MET  45           HG1      MET  45  62.876  -3.280  -1.528
  344   1HE   MET  45           HE2      MET  45  65.575  -3.888  -3.847
  345   2HE   MET  45           HE1      MET  45  66.486  -3.566  -2.374
  346   3HE   MET  45           HE3      MET  45  66.610  -5.141  -3.170
  347    H    ARG  46           HN       ARG  46  60.104  -2.984  -5.631
  348    HA   ARG  46           HA       ARG  46  59.513  -5.541  -6.906
  349   1HB   ARG  46           HB2      ARG  46  58.256  -2.839  -6.569
  350   2HB   ARG  46           HB1      ARG  46  57.608  -3.913  -7.808
  351   1HG   ARG  46           HG2      ARG  46  58.069  -4.870  -4.983
  352   2HG   ARG  46           HG1      ARG  46  56.568  -4.070  -5.451
  353   1HD   ARG  46           HD2      ARG  46  56.762  -5.870  -7.471
  354   2HD   ARG  46           HD1      ARG  46  57.559  -6.777  -6.170
  355    HE   ARG  46           HE       ARG  46  55.298  -5.640  -4.983
  356   1HH1  ARG  46          HH21      ARG  46  55.787  -7.411  -7.886
  357   2HH1  ARG  46          HH22      ARG  46  54.394  -8.418  -7.670
  358   1HH2  ARG  46          HH11      ARG  46  53.576  -7.082  -4.578
  359   2HH2  ARG  46          HH12      ARG  46  53.146  -8.233  -5.797
  360    H    MET  47           HN       MET  47  60.300  -2.249  -8.070
  361    HA   MET  47           HA       MET  47  60.360  -3.114 -10.873
  362   1HB   MET  47           HB2      MET  47  60.992  -0.754 -11.222
  363   2HB   MET  47           HB1      MET  47  59.625  -0.867 -10.113
  364   1HG   MET  47           HG2      MET  47  60.811   0.031  -8.412
  365   2HG   MET  47           HG1      MET  47  62.192  -1.019  -8.725
  366   1HE   MET  47           HE1      MET  47  63.893  -0.795  -9.820
  367   2HE   MET  47           HE3      MET  47  64.437   0.439 -10.966
  368   3HE   MET  47           HE2      MET  47  64.626   0.696  -9.232
  369    H    LEU  48           HN       LEU  48  62.605  -2.869  -8.225
  370    HA   LEU  48           HA       LEU  48  65.049  -2.653  -9.754
  371   1HB   LEU  48           HB2      LEU  48  64.136  -3.172  -6.988
  372   2HB   LEU  48           HB1      LEU  48  65.698  -3.885  -7.387
  373    HG   LEU  48           HG       LEU  48  64.975  -0.982  -7.873
  374   1HD1  LEU  48          HD13      LEU  48  65.100  -1.629  -5.444
  375   2HD1  LEU  48          HD12      LEU  48  66.755  -2.167  -5.725
  376   3HD1  LEU  48          HD11      LEU  48  66.334  -0.467  -5.931
  377   1HD2  LEU  48          HD23      LEU  48  67.471  -2.648  -8.206
  378   2HD2  LEU  48          HD22      LEU  48  66.696  -1.589  -9.384
  379   3HD2  LEU  48          HD21      LEU  48  67.561  -0.899  -8.010
  380    H    GLY  49           HN       GLY  49  62.876  -5.272  -9.038
  381   1HA   GLY  49           HA2      GLY  49  63.065  -7.299 -10.460
  382   2HA   GLY  49           HA1      GLY  49  64.817  -7.172 -10.291
  383    H    GLN  50           HN       GLN  50  63.177  -6.398  -7.421
  384    HA   GLN  50           HA       GLN  50  63.917  -9.062  -6.277
  385   1HB   GLN  50           HB2      GLN  50  63.497  -6.301  -5.088
  386   2HB   GLN  50           HB1      GLN  50  63.903  -7.733  -4.141
  387   1HG   GLN  50           HG2      GLN  50  65.608  -7.002  -6.501
  388   2HG   GLN  50           HG1      GLN  50  65.822  -6.140  -4.978
  389   1HE2  GLN  50          HE22      GLN  50  68.071  -8.796  -4.210
  390   2HE2  GLN  50          HE21      GLN  50  67.956  -7.171  -4.687
  391    H    ASN  51           HN       ASN  51  62.448  -9.655  -4.335
  392    HA   ASN  51           HA       ASN  51  59.605  -8.854  -4.757
  393   1HB   ASN  51           HB2      ASN  51  60.882 -11.281  -5.611
  394   2HB   ASN  51           HB1      ASN  51  59.733 -11.673  -4.332
  395   1HD2  ASN  51          HD22      ASN  51  58.238  -9.852  -7.715
  396   2HD2  ASN  51          HD21      ASN  51  59.811  -9.470  -7.205
  397    HA   PRO  52           HA       PRO  52  61.013  -9.374  -0.328
  398   1HB   PRO  52           HB2      PRO  52  60.382  -6.836   0.481
  399   2HB   PRO  52           HB1      PRO  52  61.965  -7.271  -0.197
  400   1HG   PRO  52           HG2      PRO  52  59.650  -5.932  -1.504
  401   2HG   PRO  52           HG1      PRO  52  61.385  -5.626  -1.688
  402   1HD   PRO  52           HD2      PRO  52  59.904  -7.032  -3.496
  403   2HD   PRO  52           HD1      PRO  52  61.646  -7.283  -3.245
  404    H    THR  53           HN       THR  53  59.550  -9.080   1.636
  405    HA   THR  53           HA       THR  53  56.729  -9.578   0.842
  406    HB   THR  53           HB       THR  53  56.963  -9.946   3.568
  407    HG1  THR  53           HG1      THR  53  59.339 -11.002   2.556
  408   1HG2  THR  53          HG22      THR  53  57.532 -11.822   1.264
  409   2HG2  THR  53          HG21      THR  53  57.363 -12.367   2.932
  410   3HG2  THR  53          HG23      THR  53  56.004 -11.596   2.114
  411    HA   PRO  54           HA       PRO  54  55.279  -5.727   2.374
  412   1HB   PRO  54           HB2      PRO  54  52.927  -6.432   3.587
  413   2HB   PRO  54           HB1      PRO  54  53.136  -6.408   1.824
  414   1HG   PRO  54           HG2      PRO  54  53.169  -8.713   3.702
  415   2HG   PRO  54           HG1      PRO  54  52.505  -8.599   2.066
  416   1HD   PRO  54           HD2      PRO  54  54.893  -9.791   2.654
  417   2HD   PRO  54           HD1      PRO  54  54.515  -9.061   1.078
  418    H    GLU  55           HN       GLU  55  55.615  -8.398   4.618
  419    HA   GLU  55           HA       GLU  55  55.371  -6.730   7.026
  420   1HB   GLU  55           HB2      GLU  55  55.123  -9.411   6.356
  421   2HB   GLU  55           HB1      GLU  55  56.654  -9.367   7.230
  422   1HG   GLU  55           HG2      GLU  55  55.170  -7.795   8.851
  423   2HG   GLU  55           HG1      GLU  55  53.898  -8.834   8.208
  424    H    GLU  56           HN       GLU  56  57.843  -7.576   4.776
  425    HA   GLU  56           HA       GLU  56  60.080  -7.179   6.654
  426   1HB   GLU  56           HB2      GLU  56  59.622  -7.936   3.800
  427   2HB   GLU  56           HB1      GLU  56  61.202  -7.273   4.216
  428   1HG   GLU  56           HG2      GLU  56  60.953  -9.005   6.248
  429   2HG   GLU  56           HG1      GLU  56  59.939  -9.836   5.067
  430    H    LEU  57           HN       LEU  57  58.252  -5.325   4.299
  431    HA   LEU  57           HA       LEU  57  59.881  -3.248   3.519
  432   1HB   LEU  57           HB2      LEU  57  57.093  -3.741   3.966
  433   2HB   LEU  57           HB1      LEU  57  57.460  -2.104   4.514
  434    HG   LEU  57           HG       LEU  57  58.741  -1.857   2.280
  435   1HD1  LEU  57          HD11      LEU  57  58.593  -4.367   1.847
  436   2HD1  LEU  57          HD13      LEU  57  56.886  -4.113   1.486
  437   3HD1  LEU  57          HD12      LEU  57  58.122  -3.333   0.498
  438   1HD2  LEU  57          HD23      LEU  57  55.811  -1.857   2.797
  439   2HD2  LEU  57          HD22      LEU  57  56.859  -0.540   2.268
  440   3HD2  LEU  57          HD21      LEU  57  56.304  -1.746   1.106
  441    H    GLN  58           HN       GLN  58  57.861  -2.801   6.434
  442    HA   GLN  58           HA       GLN  58  59.328  -0.635   7.510
  443   1HB   GLN  58           HB2      GLN  58  57.119  -1.150   8.269
  444   2HB   GLN  58           HB1      GLN  58  57.581  -2.797   8.704
  445   1HG   GLN  58           HG2      GLN  58  57.480  -1.546  10.752
  446   2HG   GLN  58           HG1      GLN  58  59.189  -1.787  10.390
  447   1HE2  GLN  58          HE22      GLN  58  59.757   1.671   9.581
  448   2HE2  GLN  58          HE21      GLN  58  60.298   0.099   9.242
  449    H    GLU  59           HN       GLU  59  59.791  -4.132   7.945
  450    HA   GLU  59           HA       GLU  59  61.703  -3.974  10.083
  451   1HB   GLU  59           HB2      GLU  59  60.299  -5.927   8.987
  452   2HB   GLU  59           HB1      GLU  59  61.729  -6.110   7.969
  453   1HG   GLU  59           HG2      GLU  59  62.092  -5.880  10.936
  454   2HG   GLU  59           HG1      GLU  59  61.550  -7.417  10.262
  455    H    MET  60           HN       MET  60  62.009  -3.739   6.568
  456    HA   MET  60           HA       MET  60  64.932  -3.923   6.585
  457   1HB   MET  60           HB2      MET  60  62.867  -4.227   4.767
  458   2HB   MET  60           HB1      MET  60  63.590  -2.695   4.275
  459   1HG   MET  60           HG2      MET  60  64.701  -4.540   3.111
  460   2HG   MET  60           HG1      MET  60  65.824  -3.787   4.243
  461   1HE   MET  60           HE1      MET  60  64.308  -6.873   2.935
  462   2HE   MET  60           HE3      MET  60  63.993  -7.949   4.303
  463   3HE   MET  60           HE2      MET  60  63.005  -6.510   4.065
  464    H    ILE  61           HN       ILE  61  62.760  -1.493   7.461
  465    HA   ILE  61           HA       ILE  61  64.799   0.631   6.869
  466    HB   ILE  61           HB       ILE  61  61.765   0.728   6.907
  467   1HG1  ILE  61          HG12      ILE  61  63.821   1.066   4.697
  468   2HG1  ILE  61          HG11      ILE  61  62.694  -0.280   4.877
  469   1HG2  ILE  61          HG21      ILE  61  63.686   2.793   7.396
  470   2HG2  ILE  61          HG23      ILE  61  62.952   3.086   5.820
  471   3HG2  ILE  61          HG22      ILE  61  61.935   2.944   7.253
  472   1HD1  ILE  61          HD12      ILE  61  61.428   2.386   4.889
  473   2HD1  ILE  61          HD11      ILE  61  62.198   1.947   3.364
  474   3HD1  ILE  61          HD13      ILE  61  60.943   0.914   4.048
  475    H    ASP  62           HN       ASP  62  63.029  -1.048   9.255
  476    HA   ASP  62           HA       ASP  62  63.221   1.163  11.239
  477   1HB   ASP  62           HB2      ASP  62  61.729  -0.212  12.520
  478   2HB   ASP  62           HB1      ASP  62  61.180  -0.328  10.848
  479    H    GLU  63           HN       GLU  63  65.473  -0.701  10.068
  480    HA   GLU  63           HA       GLU  63  66.569  -1.528  12.737
  481   1HB   GLU  63           HB2      GLU  63  67.487  -3.450  11.645
  482   2HB   GLU  63           HB1      GLU  63  65.829  -3.312  11.059
  483   1HG   GLU  63           HG2      GLU  63  66.583  -2.242   9.013
  484   2HG   GLU  63           HG1      GLU  63  68.244  -2.192   9.608
  485    H    VAL  64           HN       VAL  64  67.226   0.006   9.621
  486    HA   VAL  64           HA       VAL  64  70.018   0.588  10.542
  487    HB   VAL  64           HB       VAL  64  69.635  -0.642   8.390
  488   1HG1  VAL  64          HG11      VAL  64  67.523   0.995   8.032
  489   2HG1  VAL  64          HG13      VAL  64  68.729   1.880   7.097
  490   3HG1  VAL  64          HG12      VAL  64  68.350   0.207   6.687
  491   1HG2  VAL  64          HG21      VAL  64  70.805   2.148   8.132
  492   2HG2  VAL  64          HG23      VAL  64  71.663   0.723   8.721
  493   3HG2  VAL  64          HG22      VAL  64  71.130   0.801   7.041
  494    H    ASP  65           HN       ASP  65  66.933   2.031   9.926
  495    HA   ASP  65           HA       ASP  65  67.797   4.705   9.267
  496   1HB   ASP  65           HB2      ASP  65  65.489   3.468   9.118
  497   2HB   ASP  65           HB1      ASP  65  65.285   4.020  10.781
  498    H    GLU  66           HN       GLU  66  69.075   5.889  10.653
  499    HA   GLU  66           HA       GLU  66  68.582   5.629  13.601
  500   1HB   GLU  66           HB2      GLU  66  71.031   6.647  12.130
  501   2HB   GLU  66           HB1      GLU  66  70.920   6.202  13.835
  502   1HG   GLU  66           HG2      GLU  66  70.029   3.915  12.595
  503   2HG   GLU  66           HG1      GLU  66  71.259   4.485  11.467
  504    H    ASP  67           HN       ASP  67  67.487   7.537  11.292
  505    HA   ASP  67           HA       ASP  67  68.097  10.108  12.711
  506   1HB   ASP  67           HB2      ASP  67  67.270  11.045  10.461
  507   2HB   ASP  67           HB1      ASP  67  68.808  10.182  10.434
  508    H    GLY  68           HN       GLY  68  65.667   7.781  12.127
  509   1HA   GLY  68           HA2      GLY  68  63.440   7.736  12.903
  510   2HA   GLY  68           HA1      GLY  68  63.690   9.347  13.576
  511    H    SER  69           HN       SER  69  64.695   9.522  10.437
  512    HA   SER  69           HA       SER  69  62.609  11.229   9.554
  513   1HB   SER  69           HB2      SER  69  63.796  11.166   7.498
  514   2HB   SER  69           HB1      SER  69  65.024  10.813   8.710
  515    HG   SER  69           HG       SER  69  65.271   9.215   7.270
  516    H    GLY  70           HN       GLY  70  62.817   7.750   9.616
  517   1HA   GLY  70           HA2      GLY  70  61.134   6.163   9.164
  518   2HA   GLY  70           HA1      GLY  70  60.041   7.497   8.792
  519    H    THR  71           HN       THR  71  62.766   8.050   7.007
  520    HA   THR  71           HA       THR  71  61.679   6.520   4.662
  521    HB   THR  71           HB       THR  71  62.197   8.497   3.334
  522    HG1  THR  71           HG1      THR  71  63.438   9.274   5.730
  523   1HG2  THR  71          HG23      THR  71  60.206   8.357   5.202
  524   2HG2  THR  71          HG22      THR  71  60.985   9.877   5.642
  525   3HG2  THR  71          HG21      THR  71  60.358   9.648   4.010
  526    H    VAL  72           HN       VAL  72  63.303   5.847   3.098
  527    HA   VAL  72           HA       VAL  72  65.938   5.313   4.343
  528    HB   VAL  72           HB       VAL  72  64.962   4.445   1.618
  529   1HG1  VAL  72          HG11      VAL  72  67.317   3.985   2.439
  530   2HG1  VAL  72          HG13      VAL  72  66.600   2.986   3.705
  531   3HG1  VAL  72          HG12      VAL  72  66.386   2.550   2.010
  532   1HG2  VAL  72          HG23      VAL  72  64.172   3.376   4.342
  533   2HG2  VAL  72          HG22      VAL  72  63.103   3.921   3.049
  534   3HG2  VAL  72          HG21      VAL  72  64.023   2.426   2.862
  535    H    ASP  73           HN       ASP  73  67.851   6.229   3.611
  536    HA   ASP  73           HA       ASP  73  67.632   8.201   1.359
  537   1HB   ASP  73           HB2      ASP  73  68.015   8.980   3.767
  538   2HB   ASP  73           HB1      ASP  73  69.594   8.199   3.666
  539    H    PHE  74           HN       PHE  74  69.879   8.558   0.305
  540    HA   PHE  74           HA       PHE  74  70.833   6.200  -0.908
  541   1HB   PHE  74           HB2      PHE  74  71.142   8.763  -1.387
  542   2HB   PHE  74           HB1      PHE  74  72.592   8.590  -0.397
  543    HD1  PHE  74           HD2      PHE  74  70.845   6.669  -3.118
  544    HD2  PHE  74           HD1      PHE  74  74.560   8.151  -1.553
  545    HE1  PHE  74           HE2      PHE  74  72.051   5.690  -5.052
  546    HE2  PHE  74           HE1      PHE  74  75.765   7.172  -3.487
  547    HZ   PHE  74           HZ       PHE  74  74.510   5.942  -5.237
  548    H    ASP  75           HN       ASP  75  71.689   7.633   2.178
  549    HA   ASP  75           HA       ASP  75  74.150   6.094   2.531
  550   1HB   ASP  75           HB2      ASP  75  72.555   8.145   3.885
  551   2HB   ASP  75           HB1      ASP  75  73.251   6.981   5.012
  552    H    GLU  76           HN       GLU  76  70.778   5.840   3.664
  553    HA   GLU  76           HA       GLU  76  71.370   3.344   5.136
  554   1HB   GLU  76           HB2      GLU  76  68.799   4.874   4.615
  555   2HB   GLU  76           HB1      GLU  76  69.006   3.580   5.796
  556   1HG   GLU  76           HG2      GLU  76  70.356   4.883   7.189
  557   2HG   GLU  76           HG1      GLU  76  70.819   5.974   5.883
  558    H    PHE  77           HN       PHE  77  69.434   4.387   2.319
  559    HA   PHE  77           HA       PHE  77  68.135   2.069   1.565
  560   1HB   PHE  77           HB2      PHE  77  68.175   4.296   0.408
  561   2HB   PHE  77           HB1      PHE  77  69.756   3.882  -0.254
  562    HD1  PHE  77           HD2      PHE  77  66.170   2.903  -0.192
  563    HD2  PHE  77           HD1      PHE  77  69.980   2.386  -2.107
  564    HE1  PHE  77           HE2      PHE  77  65.076   1.654  -2.033
  565    HE2  PHE  77           HE1      PHE  77  68.885   1.136  -3.948
  566    HZ   PHE  77           HZ       PHE  77  66.433   0.770  -3.911
  567    H    LEU  78           HN       LEU  78  71.606   2.742   1.259
  568    HA   LEU  78           HA       LEU  78  72.199   0.350  -0.289
  569   1HB   LEU  78           HB2      LEU  78  73.644   2.554   1.115
  570   2HB   LEU  78           HB1      LEU  78  74.560   1.090   0.754
  571    HG   LEU  78           HG       LEU  78  72.970   2.703  -1.263
  572   1HD1  LEU  78          HD11      LEU  78  75.587   3.081  -0.184
  573   2HD1  LEU  78          HD13      LEU  78  75.766   2.509  -1.843
  574   3HD1  LEU  78          HD12      LEU  78  74.820   3.960  -1.506
  575   1HD2  LEU  78          HD23      LEU  78  74.480   0.110  -1.357
  576   2HD2  LEU  78          HD22      LEU  78  72.955   0.542  -2.131
  577   3HD2  LEU  78          HD21      LEU  78  74.478   1.149  -2.783
  578    H    VAL  79           HN       VAL  79  72.960   1.249   3.105
  579    HA   VAL  79           HA       VAL  79  73.957  -1.217   3.999
  580    HB   VAL  79           HB       VAL  79  72.208   0.828   5.406
  581   1HG1  VAL  79          HG12      VAL  79  73.808  -1.524   6.363
  582   2HG1  VAL  79          HG11      VAL  79  73.698  -0.088   7.382
  583   3HG1  VAL  79          HG13      VAL  79  72.233  -0.949   6.911
  584   1HG2  VAL  79          HG23      VAL  79  74.409   1.537   4.249
  585   2HG2  VAL  79          HG22      VAL  79  74.225   1.957   5.951
  586   3HG2  VAL  79          HG21      VAL  79  75.220   0.577   5.486
  587    H    MET  80           HN       MET  80  70.550  -0.105   4.259
  588    HA   MET  80           HA       MET  80  69.356  -2.370   5.345
  589   1HB   MET  80           HB2      MET  80  67.359  -1.612   3.996
  590   2HB   MET  80           HB1      MET  80  68.170  -0.304   4.857
  591   1HG   MET  80           HG2      MET  80  68.096   0.695   2.806
  592   2HG   MET  80           HG1      MET  80  69.563  -0.247   2.548
  593   1HE   MET  80           HE2      MET  80  65.958   0.000   2.543
  594   2HE   MET  80           HE1      MET  80  65.978   0.370   0.820
  595   3HE   MET  80           HE3      MET  80  65.291  -1.156   1.394
  596    H    MET  81           HN       MET  81  70.354  -1.856   1.974
  597    HA   MET  81           HA       MET  81  69.197  -4.297   0.939
  598   1HB   MET  81           HB2      MET  81  70.672  -1.994   0.066
  599   2HB   MET  81           HB1      MET  81  71.460  -3.438  -0.572
  600   1HG   MET  81           HG2      MET  81  69.617  -4.063  -1.823
  601   2HG   MET  81           HG1      MET  81  68.477  -3.278  -0.729
  602   1HE   MET  81           HE2      MET  81  67.223  -1.976  -1.355
  603   2HE   MET  81           HE1      MET  81  67.697  -0.281  -1.440
  604   3HE   MET  81           HE3      MET  81  67.174  -1.133  -2.900
  605    H    VAL  82           HN       VAL  82  72.648  -3.443   1.406
  606    HA   VAL  82           HA       VAL  82  73.750  -6.006   1.091
  607    HB   VAL  82           HB       VAL  82  75.084  -3.996   1.226
  608   1HG1  VAL  82          HG11      VAL  82  73.852  -3.766   3.978
  609   2HG1  VAL  82          HG13      VAL  82  75.291  -2.860   3.510
  610   3HG1  VAL  82          HG12      VAL  82  73.772  -2.605   2.653
  611   1HG2  VAL  82          HG23      VAL  82  75.566  -6.292   2.890
  612   2HG2  VAL  82          HG22      VAL  82  76.742  -5.270   2.062
  613   3HG2  VAL  82          HG21      VAL  82  76.205  -4.856   3.691
  614    H    ARG  83           HN       ARG  83  71.971  -4.692   3.815
  615    HA   ARG  83           HA       ARG  83  72.845  -6.538   5.838
  616   1HB   ARG  83           HB2      ARG  83  70.584  -4.654   5.331
  617   2HB   ARG  83           HB1      ARG  83  70.355  -5.856   6.603
  618   1HG   ARG  83           HG2      ARG  83  72.613  -5.132   7.529
  619   2HG   ARG  83           HG1      ARG  83  72.546  -3.778   6.401
  620   1HD   ARG  83           HD2      ARG  83  71.222  -2.644   7.844
  621   2HD   ARG  83           HD1      ARG  83  70.023  -3.951   7.777
  622    HE   ARG  83           HE       ARG  83  71.941  -5.026   9.405
  623   1HH1  ARG  83          HH11      ARG  83  71.775  -1.722   9.471
  624   2HH1  ARG  83          HH12      ARG  83  71.228  -1.583  11.108
  625   1HH2  ARG  83          HH21      ARG  83  70.615  -4.975  11.472
  626   2HH2  ARG  83          HH22      ARG  83  70.571  -3.424  12.241
  627    H    CYS  84           HN       CYS  84  70.096  -6.608   3.554
  628    HA   CYS  84           HA       CYS  84  69.202  -9.240   4.494
  629   1HB   CYS  84           HB2      CYS  84  67.727  -7.399   3.645
  630   2HB   CYS  84           HB1      CYS  84  68.447  -7.607   2.049
  631    HG   CYS  84           HG       CYS  84  67.109  -9.677   1.697
  632    H    MET  85           HN       MET  85  71.620  -8.130   2.369
  633    HA   MET  85           HA       MET  85  71.487 -10.219   0.357
  634   1HB   MET  85           HB2      MET  85  73.577  -8.256   1.325
  635   2HB   MET  85           HB1      MET  85  73.879  -9.365  -0.012
  636   1HG   MET  85           HG2      MET  85  71.510  -8.380  -0.817
  637   2HG   MET  85           HG1      MET  85  72.083  -6.996   0.113
  638   1HE   MET  85           HE1      MET  85  72.213  -5.484  -1.199
  639   2HE   MET  85           HE3      MET  85  73.917  -5.092  -1.470
  640   3HE   MET  85           HE2      MET  85  72.846  -5.377  -2.840
  641    H    LYS  86           HN       LYS  86  72.474 -10.180   3.638
  642    HA   LYS  86           HA       LYS  86  73.538 -11.822   4.968
  643   1HB   LYS  86           HB2      LYS  86  71.857 -13.071   3.329
  644   2HB   LYS  86           HB1      LYS  86  73.353 -13.694   2.631
  645   1HG   LYS  86           HG2      LYS  86  73.743 -15.047   4.402
  646   2HG   LYS  86           HG1      LYS  86  73.331 -13.783   5.561
  647   1HD   LYS  86           HD2      LYS  86  70.986 -14.237   5.361
  648   2HD   LYS  86           HD1      LYS  86  71.244 -15.276   3.959
  649   1HE   LYS  86           HE2      LYS  86  72.865 -16.464   5.850
  650   2HE   LYS  86           HE1      LYS  86  71.479 -15.923   6.818
  651   1HZ   LYS  86           HZ2      LYS  86  70.967 -17.113   4.189
  652   2HZ   LYS  86           HZ1      LYS  86  71.372 -18.156   5.467
  653   3HZ   LYS  86           HZ3      LYS  86  70.013 -17.150   5.595
  654    H    ASP  87           HN       ASP  87  75.146 -14.020   3.626
  655    HA   ASP  87           HA       ASP  87  77.735 -13.020   3.798
  656   1HB   ASP  87           HB2      ASP  87  76.433 -15.364   2.995
  657   2HB   ASP  87           HB1      ASP  87  77.422 -14.918   1.602
  658    H    ASP  88           HN       ASP  88  79.107 -11.868   2.417
  659    HA   ASP  88           HA       ASP  88  77.839 -10.509   0.118
  660   1HB   ASP  88           HB2      ASP  88  79.666  -9.855   2.111
  661   2HB   ASP  88           HB1      ASP  88  80.671 -10.005   0.671
  662    H    SER  89           HN       SER  89  79.168 -10.338  -1.941
  663    HA   SER  89           HA       SER  89  80.160 -11.419  -3.795
  664   1HB   SER  89           HB2      SER  89  81.798 -12.960  -1.803
  665   2HB   SER  89           HB1      SER  89  82.312 -12.192  -3.302
  666    HG   SER  89           HG       SER  89  82.343 -10.266  -2.321
   
  No H/Q in entry =         666
  Start of MODEL   14
    1   1H    MET   1           HT1      MET   1  76.877  -1.151  18.434
    2   2H    MET   1           HT3      MET   1  76.517   0.202  19.390
    3   3H    MET   1           HT2      MET   1  75.606  -0.114  17.992
    4    HA   MET   1           HA       MET   1  76.999   1.511  17.188
    5   1HB   MET   1           HB2      MET   1  79.394   1.564  18.068
    6   2HB   MET   1           HB1      MET   1  78.142   1.849  19.278
    7   1HG   MET   1           HG2      MET   1  78.242  -0.529  19.944
    8   2HG   MET   1           HG1      MET   1  79.500  -0.810  18.740
    9   1HE   MET   1           HE2      MET   1  78.748   2.200  21.083
   10   2HE   MET   1           HE1      MET   1  78.476   0.779  22.087
   11   3HE   MET   1           HE3      MET   1  79.808   1.884  22.454
   12    H    ASP   2           HN       ASP   2  76.552  -1.392  16.424
   13    HA   ASP   2           HA       ASP   2  78.870  -2.606  15.345
   14   1HB   ASP   2           HB2      ASP   2  75.929  -2.575  14.745
   15   2HB   ASP   2           HB1      ASP   2  77.011  -3.423  13.638
   16    H    ASP   3           HN       ASP   3  80.097  -2.180  13.530
   17    HA   ASP   3           HA       ASP   3  79.107  -0.063  11.649
   18   1HB   ASP   3           HB2      ASP   3  81.880  -0.505  12.804
   19   2HB   ASP   3           HB1      ASP   3  81.476   0.716  11.597
   20    H    ILE   4           HN       ILE   4  79.556  -3.224  11.780
   21    HA   ILE   4           HA       ILE   4  81.457  -3.823   9.694
   22    HB   ILE   4           HB       ILE   4  79.000  -5.335  10.642
   23   1HG1  ILE   4          HG12      ILE   4  81.862  -5.413  11.654
   24   2HG1  ILE   4          HG11      ILE   4  80.511  -4.658  12.498
   25   1HG2  ILE   4          HG23      ILE   4  80.857  -5.885   8.591
   26   2HG2  ILE   4          HG22      ILE   4  81.318  -6.919   9.944
   27   3HG2  ILE   4          HG21      ILE   4  79.683  -7.001   9.288
   28   1HD1  ILE   4          HD11      ILE   4  79.411  -7.060  12.123
   29   2HD1  ILE   4          HD13      ILE   4  81.102  -7.556  12.077
   30   3HD1  ILE   4          HD12      ILE   4  80.461  -6.738  13.502
   31    H    TYR   5           HN       TYR   5  77.876  -3.657   9.671
   32    HA   TYR   5           HA       TYR   5  77.565  -4.035   6.850
   33   1HB   TYR   5           HB2      TYR   5  75.932  -2.761   9.054
   34   2HB   TYR   5           HB1      TYR   5  75.321  -2.887   7.404
   35    HD1  TYR   5           HD2      TYR   5  75.218  -5.191   6.313
   36    HD2  TYR   5           HD1      TYR   5  75.890  -4.624  10.517
   37    HE1  TYR   5           HE2      TYR   5  74.567  -7.547   6.734
   38    HE2  TYR   5           HE1      TYR   5  75.240  -6.980  10.939
   39    HH   TYR   5           HH       TYR   5  75.248  -9.172   9.504
   40    H    LYS   6           HN       LYS   6  77.810  -1.073   8.837
   41    HA   LYS   6           HA       LYS   6  77.327   0.929   6.972
   42   1HB   LYS   6           HB2      LYS   6  79.313   0.586   9.214
   43   2HB   LYS   6           HB1      LYS   6  79.266   2.089   8.292
   44   1HG   LYS   6           HG2      LYS   6  76.678   1.955   8.758
   45   2HG   LYS   6           HG1      LYS   6  77.173   0.907  10.088
   46   1HD   LYS   6           HD2      LYS   6  78.771   2.706  10.821
   47   2HD   LYS   6           HD1      LYS   6  78.069   3.759   9.590
   48   1HE   LYS   6           HE2      LYS   6  76.500   4.337  11.125
   49   2HE   LYS   6           HE1      LYS   6  75.868   2.684  10.996
   50   1HZ   LYS   6           HZ2      LYS   6  78.243   3.305  12.644
   51   2HZ   LYS   6           HZ1      LYS   6  76.673   3.442  13.280
   52   3HZ   LYS   6           HZ3      LYS   6  77.231   1.942  12.718
   53    H    ALA   7           HN       ALA   7  80.529  -0.580   7.558
   54    HA   ALA   7           HA       ALA   7  81.825   0.676   5.323
   55   1HB   ALA   7           HB1      ALA   7  82.331  -1.733   7.075
   56   2HB   ALA   7           HB3      ALA   7  83.441  -1.306   5.772
   57   3HB   ALA   7           HB2      ALA   7  83.156  -0.174   7.094
   58    H    ALA   8           HN       ALA   8  79.920  -2.272   5.663
   59    HA   ALA   8           HA       ALA   8  80.674  -3.648   3.297
   60   1HB   ALA   8           HB2      ALA   8  79.100  -4.220   5.315
   61   2HB   ALA   8           HB1      ALA   8  77.842  -3.496   4.313
   62   3HB   ALA   8           HB3      ALA   8  78.730  -4.903   3.732
   63    H    VAL   9           HN       VAL   9  78.415  -0.958   3.796
   64    HA   VAL   9           HA       VAL   9  77.278  -0.982   1.142
   65    HB   VAL   9           HB       VAL   9  77.524   0.981   3.423
   66   1HG1  VAL   9          HG11      VAL   9  76.867   1.548   0.616
   67   2HG1  VAL   9          HG13      VAL   9  75.606   2.048   1.743
   68   3HG1  VAL   9          HG12      VAL   9  77.248   2.663   1.928
   69   1HG2  VAL   9          HG21      VAL   9  75.690  -1.080   2.590
   70   2HG2  VAL   9          HG23      VAL   9  75.659  -0.107   4.062
   71   3HG2  VAL   9          HG22      VAL   9  74.856   0.474   2.604
   72    H    GLU  10           HN       GLU  10  80.097   0.603   2.601
   73    HA   GLU  10           HA       GLU  10  80.686   2.282   0.302
   74   1HB   GLU  10           HB2      GLU  10  82.464   1.316   2.566
   75   2HB   GLU  10           HB1      GLU  10  82.711   2.756   1.578
   76   1HG   GLU  10           HG2      GLU  10  80.277   3.365   2.426
   77   2HG   GLU  10           HG1      GLU  10  80.696   2.265   3.740
   78    H    GLN  11           HN       GLN  11  81.469  -1.009   1.248
   79    HA   GLN  11           HA       GLN  11  83.773  -1.448  -0.379
   80   1HB   GLN  11           HB2      GLN  11  81.825  -2.918   1.189
   81   2HB   GLN  11           HB1      GLN  11  82.240  -3.812  -0.275
   82   1HG   GLN  11           HG2      GLN  11  83.871  -4.492   1.301
   83   2HG   GLN  11           HG1      GLN  11  84.694  -3.279   0.319
   84   1HE2  GLN  11          HE22      GLN  11  84.232  -2.629   4.267
   85   2HE2  GLN  11          HE21      GLN  11  83.839  -4.110   3.535
   86    H    LEU  12           HN       LEU  12  80.335  -1.359  -1.154
   87    HA   LEU  12           HA       LEU  12  80.198  -2.731  -3.585
   88   1HB   LEU  12           HB2      LEU  12  78.974  -0.085  -2.740
   89   2HB   LEU  12           HB1      LEU  12  78.403  -1.055  -4.098
   90    HG   LEU  12           HG       LEU  12  78.603  -2.098  -1.261
   91   1HD1  LEU  12          HD11      LEU  12  76.865  -0.160  -2.022
   92   2HD1  LEU  12          HD13      LEU  12  75.962  -1.592  -2.517
   93   3HD1  LEU  12          HD12      LEU  12  76.464  -1.403  -0.837
   94   1HD2  LEU  12          HD22      LEU  12  78.665  -3.733  -3.190
   95   2HD2  LEU  12          HD21      LEU  12  77.293  -3.949  -2.104
   96   3HD2  LEU  12          HD23      LEU  12  77.069  -3.146  -3.658
   97    H    THR  13           HN       THR  13  81.022  -2.375  -5.626
   98    HA   THR  13           HA       THR  13  83.112  -0.446  -6.067
   99    HB   THR  13           HB       THR  13  82.092  -1.330  -8.541
  100    HG1  THR  13           HG1      THR  13  81.653  -3.500  -8.118
  101   1HG2  THR  13          HG23      THR  13  84.466  -1.284  -7.616
  102   2HG2  THR  13          HG22      THR  13  84.084  -2.805  -6.813
  103   3HG2  THR  13          HG21      THR  13  84.044  -2.705  -8.572
  104    H    GLU  14           HN       GLU  14  83.023   1.285  -7.748
  105    HA   GLU  14           HA       GLU  14  81.004   3.208  -7.333
  106   1HB   GLU  14           HB2      GLU  14  81.969   4.205  -9.424
  107   2HB   GLU  14           HB1      GLU  14  83.206   3.674  -8.283
  108   1HG   GLU  14           HG2      GLU  14  83.069   1.414  -9.621
  109   2HG   GLU  14           HG1      GLU  14  82.375   2.428 -10.886
  110    H    GLU  15           HN       GLU  15  81.286   0.794  -9.957
  111    HA   GLU  15           HA       GLU  15  79.115   1.541 -11.567
  112   1HB   GLU  15           HB2      GLU  15  79.174  -0.775 -12.294
  113   2HB   GLU  15           HB1      GLU  15  80.825  -0.283 -11.914
  114   1HG   GLU  15           HG2      GLU  15  80.304  -1.203  -9.533
  115   2HG   GLU  15           HG1      GLU  15  78.974  -2.049 -10.325
  116    H    GLN  16           HN       GLN  16  79.085  -0.006  -8.404
  117    HA   GLN  16           HA       GLN  16  76.309  -0.879  -8.515
  118   1HB   GLN  16           HB2      GLN  16  77.889  -0.268  -6.017
  119   2HB   GLN  16           HB1      GLN  16  76.721  -1.559  -6.287
  120   1HG   GLN  16           HG2      GLN  16  78.585  -2.135  -8.200
  121   2HG   GLN  16           HG1      GLN  16  79.602  -1.462  -6.925
  122   1HE2  GLN  16          HE22      GLN  16  77.666  -5.021  -6.299
  123   2HE2  GLN  16          HE21      GLN  16  77.229  -4.041  -7.615
  124    H    LYS  17           HN       LYS  17  77.904   1.693  -6.595
  125    HA   LYS  17           HA       LYS  17  75.463   2.980  -5.805
  126   1HB   LYS  17           HB2      LYS  17  78.338   3.916  -6.046
  127   2HB   LYS  17           HB1      LYS  17  77.074   4.828  -5.218
  128   1HG   LYS  17           HG2      LYS  17  76.944   3.330  -3.467
  129   2HG   LYS  17           HG1      LYS  17  77.439   1.961  -4.464
  130   1HD   LYS  17           HD2      LYS  17  79.453   2.209  -3.441
  131   2HD   LYS  17           HD1      LYS  17  79.674   3.554  -4.561
  132   1HE   LYS  17           HE2      LYS  17  78.425   4.970  -2.757
  133   2HE   LYS  17           HE1      LYS  17  78.846   3.637  -1.662
  134   1HZ   LYS  17           HZ2      LYS  17  81.154   3.808  -2.537
  135   2HZ   LYS  17           HZ1      LYS  17  80.702   5.233  -3.343
  136   3HZ   LYS  17           HZ3      LYS  17  80.656   5.168  -1.649
  137    H    ASN  18           HN       ASN  18  77.124   2.953  -8.810
  138    HA   ASN  18           HA       ASN  18  76.400   5.620  -9.717
  139   1HB   ASN  18           HB2      ASN  18  77.842   3.279 -10.607
  140   2HB   ASN  18           HB1      ASN  18  76.787   3.858 -11.897
  141   1HD2  ASN  18          HD22      ASN  18  79.661   5.953 -12.503
  142   2HD2  ASN  18          HD21      ASN  18  78.995   4.448 -12.912
  143    H    GLU  19           HN       GLU  19  75.025   2.356 -10.213
  144    HA   GLU  19           HA       GLU  19  72.805   3.401 -11.826
  145   1HB   GLU  19           HB2      GLU  19  73.379   0.685 -10.596
  146   2HB   GLU  19           HB1      GLU  19  72.161   1.011 -11.830
  147   1HG   GLU  19           HG2      GLU  19  73.715   1.247 -13.501
  148   2HG   GLU  19           HG1      GLU  19  74.925   1.938 -12.418
  149    H    PHE  20           HN       PHE  20  73.364   2.459  -8.470
  150    HA   PHE  20           HA       PHE  20  70.599   2.275  -7.675
  151   1HB   PHE  20           HB2      PHE  20  73.131   2.940  -6.139
  152   2HB   PHE  20           HB1      PHE  20  71.604   2.451  -5.405
  153    HD1  PHE  20           HD2      PHE  20  70.962   0.486  -7.810
  154    HD2  PHE  20           HD1      PHE  20  74.324   1.006  -5.185
  155    HE1  PHE  20           HE2      PHE  20  71.574  -1.893  -8.125
  156    HE2  PHE  20           HE1      PHE  20  74.936  -1.376  -5.501
  157    HZ   PHE  20           HZ       PHE  20  73.561  -2.826  -6.971
  158    H    LYS  21           HN       LYS  21  72.844   4.976  -8.023
  159    HA   LYS  21           HA       LYS  21  71.338   6.910  -6.505
  160   1HB   LYS  21           HB2      LYS  21  73.619   7.361  -6.997
  161   2HB   LYS  21           HB1      LYS  21  73.404   6.992  -8.709
  162   1HG   LYS  21           HG2      LYS  21  72.471   9.044  -9.178
  163   2HG   LYS  21           HG1      LYS  21  71.757   9.204  -7.573
  164   1HD   LYS  21           HD2      LYS  21  74.226   9.381  -6.751
  165   2HD   LYS  21           HD1      LYS  21  74.589   9.753  -8.437
  166   1HE   LYS  21           HE2      LYS  21  72.810  11.561  -8.327
  167   2HE   LYS  21           HE1      LYS  21  72.740  11.279  -6.576
  168   1HZ   LYS  21           HZ2      LYS  21  75.397  11.505  -7.733
  169   2HZ   LYS  21           HZ1      LYS  21  74.487  12.940  -7.704
  170   3HZ   LYS  21           HZ3      LYS  21  74.799  12.107  -6.260
  171    H    ALA  22           HN       ALA  22  71.395   6.062  -9.974
  172    HA   ALA  22           HA       ALA  22  69.519   8.033 -10.854
  173   1HB   ALA  22           HB3      ALA  22  70.434   5.318 -11.807
  174   2HB   ALA  22           HB2      ALA  22  69.222   6.232 -12.706
  175   3HB   ALA  22           HB1      ALA  22  70.836   6.902 -12.468
  176    H    ALA  23           HN       ALA  23  69.057   4.634  -9.833
  177    HA   ALA  23           HA       ALA  23  66.192   4.632 -10.173
  178   1HB   ALA  23           HB2      ALA  23  68.059   2.757  -9.858
  179   2HB   ALA  23           HB1      ALA  23  67.612   2.924  -8.159
  180   3HB   ALA  23           HB3      ALA  23  66.394   2.464  -9.351
  181    H    PHE  24           HN       PHE  24  68.346   5.512  -7.508
  182    HA   PHE  24           HA       PHE  24  66.558   5.560  -5.333
  183   1HB   PHE  24           HB2      PHE  24  68.883   5.976  -5.004
  184   2HB   PHE  24           HB1      PHE  24  68.891   7.288  -6.183
  185    HD1  PHE  24           HD1      PHE  24  67.610   9.414  -5.670
  186    HD2  PHE  24           HD2      PHE  24  68.347   6.380  -2.719
  187    HE1  PHE  24           HE1      PHE  24  67.110  11.044  -3.870
  188    HE2  PHE  24           HE2      PHE  24  67.847   8.011  -0.919
  189    HZ   PHE  24           HZ       PHE  24  67.228  10.343  -1.495
  190    H    ASP  25           HN       ASP  25  67.099   8.028  -7.853
  191    HA   ASP  25           HA       ASP  25  65.243   9.960  -6.760
  192   1HB   ASP  25           HB2      ASP  25  66.368   9.484  -9.540
  193   2HB   ASP  25           HB1      ASP  25  65.520  10.949  -9.046
  194    H    ILE  26           HN       ILE  26  64.868   7.073  -8.670
  195    HA   ILE  26           HA       ILE  26  62.324   7.757  -9.886
  196    HB   ILE  26           HB       ILE  26  63.783   5.159  -9.348
  197   1HG1  ILE  26          HG12      ILE  26  63.665   7.139 -11.626
  198   2HG1  ILE  26          HG11      ILE  26  65.086   6.458 -10.834
  199   1HG2  ILE  26          HG22      ILE  26  61.206   5.103  -9.737
  200   2HG2  ILE  26          HG21      ILE  26  61.604   5.565 -11.391
  201   3HG2  ILE  26          HG23      ILE  26  62.223   4.054 -10.724
  202   1HD1  ILE  26          HD13      ILE  26  63.868   4.197 -11.763
  203   2HD1  ILE  26          HD12      ILE  26  63.440   5.357 -13.019
  204   3HD1  ILE  26          HD11      ILE  26  65.135   5.064 -12.630
  205    H    PHE  27           HN       PHE  27  63.294   6.490  -6.766
  206    HA   PHE  27           HA       PHE  27  60.588   5.479  -6.148
  207   1HB   PHE  27           HB2      PHE  27  63.058   5.774  -4.412
  208   2HB   PHE  27           HB1      PHE  27  61.675   4.720  -4.111
  209    HD1  PHE  27           HD2      PHE  27  61.071   3.356  -6.497
  210    HD2  PHE  27           HD1      PHE  27  64.941   4.575  -5.085
  211    HE1  PHE  27           HE2      PHE  27  62.129   1.577  -7.862
  212    HE2  PHE  27           HE1      PHE  27  65.999   2.796  -6.451
  213    HZ   PHE  27           HZ       PHE  27  64.593   1.298  -7.840
  214    H    VAL  28           HN       VAL  28  62.602   8.301  -5.491
  215    HA   VAL  28           HA       VAL  28  60.896   9.348  -3.367
  216    HB   VAL  28           HB       VAL  28  62.403  11.283  -3.604
  217   1HG1  VAL  28          HG11      VAL  28  63.126   8.676  -2.943
  218   2HG1  VAL  28          HG13      VAL  28  64.416   9.217  -4.018
  219   3HG1  VAL  28          HG12      VAL  28  64.039  10.135  -2.559
  220   1HG2  VAL  28          HG22      VAL  28  62.445  11.209  -6.119
  221   2HG2  VAL  28          HG21      VAL  28  64.041  11.393  -5.390
  222   3HG2  VAL  28          HG23      VAL  28  63.530   9.823  -6.009
  223    H    LEU  29           HN       LEU  29  60.263   8.937  -6.559
  224    HA   LEU  29           HA       LEU  29  59.405  11.408  -7.608
  225   1HB   LEU  29           HB2      LEU  29  58.923   8.543  -7.975
  226   2HB   LEU  29           HB1      LEU  29  57.528   9.525  -8.424
  227    HG   LEU  29           HG       LEU  29  59.187   9.133 -10.296
  228   1HD1  LEU  29          HD13      LEU  29  57.764  11.436  -9.554
  229   2HD1  LEU  29          HD12      LEU  29  59.354  12.021 -10.046
  230   3HD1  LEU  29          HD11      LEU  29  58.386  11.055 -11.158
  231   1HD2  LEU  29          HD21      LEU  29  60.984  10.011  -8.252
  232   2HD2  LEU  29          HD23      LEU  29  61.373   9.507  -9.897
  233   3HD2  LEU  29          HD22      LEU  29  61.023  11.202  -9.553
  234    H    GLY  30           HN       GLY  30  58.526  12.606  -5.744
  235   1HA   GLY  30           HA2      GLY  30  56.072  13.317  -5.406
  236   2HA   GLY  30           HA1      GLY  30  55.831  11.652  -4.869
  237    H    ALA  31           HN       ALA  31  58.743  11.970  -3.736
  238    HA   ALA  31           HA       ALA  31  58.075  12.308  -1.013
  239   1HB   ALA  31           HB1      ALA  31  60.149  11.309  -1.948
  240   2HB   ALA  31           HB3      ALA  31  60.676  12.913  -2.459
  241   3HB   ALA  31           HB2      ALA  31  60.513  12.542  -0.742
  242    H    GLU  32           HN       GLU  32  59.463  14.226   0.219
  243    HA   GLU  32           HA       GLU  32  58.362  16.780  -0.899
  244   1HB   GLU  32           HB2      GLU  32  58.488  17.452   1.554
  245   2HB   GLU  32           HB1      GLU  32  57.360  16.144   1.197
  246   1HG   GLU  32           HG2      GLU  32  58.644  14.561   2.253
  247   2HG   GLU  32           HG1      GLU  32  60.159  15.359   1.833
  248    H    ASP  33           HN       ASP  33  61.244  15.170   0.305
  249    HA   ASP  33           HA       ASP  33  62.811  17.656  -0.307
  250   1HB   ASP  33           HB2      ASP  33  64.192  17.142   1.600
  251   2HB   ASP  33           HB1      ASP  33  62.517  17.012   2.138
  252    H    GLY  34           HN       GLY  34  62.265  14.387  -1.046
  253   1HA   GLY  34           HA2      GLY  34  63.406  13.423  -2.996
  254   2HA   GLY  34           HA1      GLY  34  64.867  14.277  -2.503
  255    H    CYS  35           HN       CYS  35  62.588  12.091  -0.810
  256    HA   CYS  35           HA       CYS  35  64.957  10.408  -0.061
  257   1HB   CYS  35           HB2      CYS  35  62.663  11.526   1.552
  258   2HB   CYS  35           HB1      CYS  35  63.533  10.093   2.101
  259    HG   CYS  35           HG       CYS  35  65.101  12.730   1.504
  260    H    ILE  36           HN       ILE  36  64.325   8.131   0.452
  261    HA   ILE  36           HA       ILE  36  62.004   7.273  -1.231
  262    HB   ILE  36           HB       ILE  36  64.086   5.386  -0.187
  263   1HG1  ILE  36          HG12      ILE  36  64.592   7.383  -2.423
  264   2HG1  ILE  36          HG11      ILE  36  65.419   7.355  -0.865
  265   1HG2  ILE  36          HG23      ILE  36  62.203   5.639  -2.445
  266   2HG2  ILE  36          HG22      ILE  36  63.781   4.987  -2.882
  267   3HG2  ILE  36          HG21      ILE  36  62.811   4.191  -1.642
  268   1HD1  ILE  36          HD12      ILE  36  65.546   4.733  -2.025
  269   2HD1  ILE  36          HD11      ILE  36  66.101   5.910  -3.214
  270   3HD1  ILE  36          HD13      ILE  36  66.874   5.823  -1.633
  271    H    SER  37           HN       SER  37  60.646   7.908   0.746
  272    HA   SER  37           HA       SER  37  60.767   6.736   3.287
  273   1HB   SER  37           HB2      SER  37  59.090   8.373   1.928
  274   2HB   SER  37           HB1      SER  37  58.111   6.909   1.960
  275    HG   SER  37           HG       SER  37  57.941   7.060   4.079
  276    H    THR  38           HN       THR  38  59.416   4.918   4.147
  277    HA   THR  38           HA       THR  38  59.947   2.433   2.868
  278    HB   THR  38           HB       THR  38  58.513   1.557   4.651
  279    HG1  THR  38           HG1      THR  38  56.769   2.839   4.653
  280   1HG2  THR  38          HG22      THR  38  60.602   3.515   5.049
  281   2HG2  THR  38          HG21      THR  38  59.451   3.570   6.384
  282   3HG2  THR  38          HG23      THR  38  60.259   2.055   5.977
  283    H    LYS  39           HN       LYS  39  56.843   4.221   3.140
  284    HA   LYS  39           HA       LYS  39  55.112   2.549   1.774
  285   1HB   LYS  39           HB2      LYS  39  55.501   5.487   2.051
  286   2HB   LYS  39           HB1      LYS  39  54.377   4.964   0.797
  287   1HG   LYS  39           HG2      LYS  39  52.923   3.968   2.321
  288   2HG   LYS  39           HG1      LYS  39  54.185   3.750   3.535
  289   1HD   LYS  39           HD2      LYS  39  53.469   5.644   4.520
  290   2HD   LYS  39           HD1      LYS  39  54.036   6.527   3.102
  291   1HE   LYS  39           HE2      LYS  39  51.719   5.726   2.074
  292   2HE   LYS  39           HE1      LYS  39  51.256   5.638   3.784
  293   1HZ   LYS  39           HZ2      LYS  39  52.632   7.971   2.569
  294   2HZ   LYS  39           HZ1      LYS  39  50.946   7.877   2.764
  295   3HZ   LYS  39           HZ3      LYS  39  51.957   7.870   4.126
  296    H    GLU  40           HN       GLU  40  57.731   4.481   0.401
  297    HA   GLU  40           HA       GLU  40  56.968   3.589  -2.348
  298   1HB   GLU  40           HB2      GLU  40  58.503   5.838  -1.106
  299   2HB   GLU  40           HB1      GLU  40  58.958   5.335  -2.734
  300   1HG   GLU  40           HG2      GLU  40  56.506   5.515  -3.362
  301   2HG   GLU  40           HG1      GLU  40  56.240   6.281  -1.796
  302    H    LEU  41           HN       LEU  41  58.060   1.591  -0.656
  303    HA   LEU  41           HA       LEU  41  60.820   1.275  -1.795
  304   1HB   LEU  41           HB2      LEU  41  60.515   1.684   0.719
  305   2HB   LEU  41           HB1      LEU  41  59.761   0.091   0.782
  306    HG   LEU  41           HG       LEU  41  62.224   0.068   1.302
  307   1HD1  LEU  41          HD11      LEU  41  60.768  -1.783   0.051
  308   2HD1  LEU  41          HD13      LEU  41  61.883  -1.422  -1.268
  309   3HD1  LEU  41          HD12      LEU  41  62.504  -1.988   0.283
  310   1HD2  LEU  41          HD23      LEU  41  62.647   1.890  -0.490
  311   2HD2  LEU  41          HD22      LEU  41  63.825   0.583  -0.364
  312   3HD2  LEU  41          HD21      LEU  41  62.618   0.562  -1.650
  313    H    GLY  42           HN       GLY  42  57.985  -0.541  -0.562
  314   1HA   GLY  42           HA2      GLY  42  58.593  -3.110  -1.400
  315   2HA   GLY  42           HA1      GLY  42  56.955  -2.458  -1.476
  316    H    LYS  43           HN       LYS  43  56.918  -0.684  -3.455
  317    HA   LYS  43           HA       LYS  43  56.972  -2.211  -5.852
  318   1HB   LYS  43           HB2      LYS  43  56.314  -0.166  -6.860
  319   2HB   LYS  43           HB1      LYS  43  55.753  -0.020  -5.196
  320   1HG   LYS  43           HG2      LYS  43  57.724   1.298  -4.608
  321   2HG   LYS  43           HG1      LYS  43  58.381   1.086  -6.232
  322   1HD   LYS  43           HD2      LYS  43  55.931   2.075  -6.844
  323   2HD   LYS  43           HD1      LYS  43  56.202   2.868  -5.291
  324   1HE   LYS  43           HE2      LYS  43  58.599   3.365  -6.330
  325   2HE   LYS  43           HE1      LYS  43  57.719   3.172  -7.860
  326   1HZ   LYS  43           HZ2      LYS  43  55.955   4.595  -6.529
  327   2HZ   LYS  43           HZ1      LYS  43  57.353   5.161  -5.749
  328   3HZ   LYS  43           HZ3      LYS  43  57.196   5.328  -7.429
  329    H    VAL  44           HN       VAL  44  59.509  -0.499  -4.200
  330    HA   VAL  44           HA       VAL  44  61.264  -0.221  -6.524
  331    HB   VAL  44           HB       VAL  44  61.873  -0.145  -3.552
  332   1HG1  VAL  44          HG13      VAL  44  63.434   0.252  -5.949
  333   2HG1  VAL  44          HG12      VAL  44  63.352   1.755  -5.031
  334   3HG1  VAL  44          HG11      VAL  44  63.964   0.287  -4.268
  335   1HG2  VAL  44          HG21      VAL  44  60.481   1.760  -5.376
  336   2HG2  VAL  44          HG23      VAL  44  60.266   1.503  -3.645
  337   3HG2  VAL  44          HG22      VAL  44  61.635   2.445  -4.233
  338    H    MET  45           HN       MET  45  61.056  -2.419  -3.714
  339    HA   MET  45           HA       MET  45  63.342  -4.026  -4.489
  340   1HB   MET  45           HB2      MET  45  61.090  -4.096  -2.523
  341   2HB   MET  45           HB1      MET  45  61.953  -5.605  -2.825
  342   1HG   MET  45           HG2      MET  45  63.669  -3.224  -2.440
  343   2HG   MET  45           HG1      MET  45  62.769  -3.744  -1.015
  344   1HE   MET  45           HE3      MET  45  65.635  -3.401  -1.673
  345   2HE   MET  45           HE2      MET  45  66.590  -4.800  -1.189
  346   3HE   MET  45           HE1      MET  45  66.234  -4.533  -2.894
  347    H    ARG  46           HN       ARG  46  60.043  -3.875  -5.508
  348    HA   ARG  46           HA       ARG  46  59.738  -6.630  -6.363
  349   1HB   ARG  46           HB2      ARG  46  58.297  -4.102  -6.352
  350   2HB   ARG  46           HB1      ARG  46  58.067  -4.960  -7.877
  351   1HG   ARG  46           HG2      ARG  46  57.019  -6.757  -6.871
  352   2HG   ARG  46           HG1      ARG  46  57.877  -6.536  -5.345
  353   1HD   ARG  46           HD2      ARG  46  56.349  -4.999  -4.556
  354   2HD   ARG  46           HD1      ARG  46  56.011  -4.353  -6.174
  355    HE   ARG  46           HE       ARG  46  55.161  -7.100  -5.999
  356   1HH1  ARG  46          HH21      ARG  46  54.425  -4.031  -4.636
  357   2HH1  ARG  46          HH22      ARG  46  52.710  -4.256  -4.714
  358   1HH2  ARG  46          HH11      ARG  46  52.915  -7.344  -6.276
  359   2HH2  ARG  46          HH12      ARG  46  51.855  -6.129  -5.643
  360    H    MET  47           HN       MET  47  60.481  -3.590  -8.115
  361    HA   MET  47           HA       MET  47  60.965  -5.002 -10.631
  362   1HB   MET  47           HB2      MET  47  61.376  -2.782 -11.455
  363   2HB   MET  47           HB1      MET  47  60.081  -2.633 -10.268
  364   1HG   MET  47           HG2      MET  47  61.784  -2.032  -8.544
  365   2HG   MET  47           HG1      MET  47  63.022  -2.071  -9.799
  366   1HE   MET  47           HE3      MET  47  63.877  -0.469 -10.607
  367   2HE   MET  47           HE2      MET  47  62.936   0.017 -12.015
  368   3HE   MET  47           HE1      MET  47  63.359   1.212 -10.792
  369    H    LEU  48           HN       LEU  48  62.993  -3.421  -8.145
  370    HA   LEU  48           HA       LEU  48  65.531  -3.603  -9.277
  371   1HB   LEU  48           HB2      LEU  48  64.321  -3.761  -6.564
  372   2HB   LEU  48           HB1      LEU  48  66.007  -4.259  -6.695
  373    HG   LEU  48           HG       LEU  48  65.559  -1.775  -6.207
  374   1HD1  LEU  48          HD12      LEU  48  67.707  -2.823  -7.088
  375   2HD1  LEU  48          HD11      LEU  48  67.181  -2.333  -8.698
  376   3HD1  LEU  48          HD13      LEU  48  67.487  -1.114  -7.461
  377   1HD2  LEU  48          HD22      LEU  48  64.762  -1.925  -9.130
  378   2HD2  LEU  48          HD21      LEU  48  63.766  -1.368  -7.786
  379   3HD2  LEU  48          HD23      LEU  48  65.165  -0.425  -8.297
  380    H    GLY  49           HN       GLY  49  63.505  -6.227  -8.091
  381   1HA   GLY  49           HA2      GLY  49  64.041  -8.438  -9.223
  382   2HA   GLY  49           HA1      GLY  49  65.714  -8.138  -8.748
  383    H    GLN  50           HN       GLN  50  63.576  -7.022  -6.381
  384    HA   GLN  50           HA       GLN  50  64.058  -9.501  -4.761
  385   1HB   GLN  50           HB2      GLN  50  63.879  -6.548  -4.157
  386   2HB   GLN  50           HB1      GLN  50  63.690  -7.745  -2.875
  387   1HG   GLN  50           HG2      GLN  50  65.977  -7.456  -2.770
  388   2HG   GLN  50           HG1      GLN  50  65.911  -8.734  -3.984
  389   1HE2  GLN  50          HE22      GLN  50  68.033  -6.267  -5.620
  390   2HE2  GLN  50          HE21      GLN  50  68.129  -7.505  -4.463
  391    H    ASN  51           HN       ASN  51  62.312  -9.762  -2.992
  392    HA   ASN  51           HA       ASN  51  59.621  -8.793  -3.806
  393   1HB   ASN  51           HB2      ASN  51  58.860 -11.227  -3.730
  394   2HB   ASN  51           HB1      ASN  51  59.893 -10.808  -5.098
  395   1HD2  ASN  51          HD22      ASN  51  61.591 -13.789  -3.990
  396   2HD2  ASN  51          HD21      ASN  51  60.365 -13.253  -5.035
  397    HA   PRO  52           HA       PRO  52  60.477  -9.377   0.771
  398   1HB   PRO  52           HB2      PRO  52  60.301  -6.743   1.489
  399   2HB   PRO  52           HB1      PRO  52  61.824  -7.507   0.986
  400   1HG   PRO  52           HG2      PRO  52  59.986  -5.755  -0.561
  401   2HG   PRO  52           HG1      PRO  52  61.755  -5.827  -0.570
  402   1HD   PRO  52           HD2      PRO  52  60.173  -6.944  -2.504
  403   2HD   PRO  52           HD1      PRO  52  61.806  -7.520  -2.102
  404    H    THR  53           HN       THR  53  58.725  -9.619   2.163
  405    HA   THR  53           HA       THR  53  56.049  -9.244   1.202
  406    HB   THR  53           HB       THR  53  55.952  -9.468   3.983
  407    HG1  THR  53           HG1      THR  53  57.651 -10.991   4.359
  408   1HG2  THR  53          HG22      THR  53  54.783 -10.866   2.303
  409   2HG2  THR  53          HG21      THR  53  56.310 -11.670   1.931
  410   3HG2  THR  53          HG23      THR  53  55.585 -11.848   3.530
  411    HA   PRO  54           HA       PRO  54  54.965  -5.215   2.562
  412   1HB   PRO  54           HB2      PRO  54  52.686  -5.552   4.043
  413   2HB   PRO  54           HB1      PRO  54  52.729  -5.734   2.279
  414   1HG   PRO  54           HG2      PRO  54  52.754  -7.824   4.398
  415   2HG   PRO  54           HG1      PRO  54  51.926  -7.814   2.833
  416   1HD   PRO  54           HD2      PRO  54  54.239  -9.178   3.296
  417   2HD   PRO  54           HD1      PRO  54  53.779  -8.543   1.700
  418    H    GLU  55           HN       GLU  55  54.886  -7.600   5.204
  419    HA   GLU  55           HA       GLU  55  55.210  -5.636   7.327
  420   1HB   GLU  55           HB2      GLU  55  54.720  -8.430   6.974
  421   2HB   GLU  55           HB1      GLU  55  56.115  -8.263   8.040
  422   1HG   GLU  55           HG2      GLU  55  54.776  -6.589   9.382
  423   2HG   GLU  55           HG1      GLU  55  53.374  -7.026   8.406
  424    H    GLU  56           HN       GLU  56  57.367  -7.470   5.247
  425    HA   GLU  56           HA       GLU  56  59.776  -7.179   6.808
  426   1HB   GLU  56           HB2      GLU  56  58.928  -7.955   4.067
  427   2HB   GLU  56           HB1      GLU  56  60.602  -7.423   4.229
  428   1HG   GLU  56           HG2      GLU  56  60.786  -9.031   6.201
  429   2HG   GLU  56           HG1      GLU  56  59.233  -9.690   5.687
  430    H    LEU  57           HN       LEU  57  58.180  -5.176   4.357
  431    HA   LEU  57           HA       LEU  57  60.183  -3.353   3.669
  432   1HB   LEU  57           HB2      LEU  57  57.245  -3.423   3.905
  433   2HB   LEU  57           HB1      LEU  57  57.928  -1.798   3.951
  434    HG   LEU  57           HG       LEU  57  59.171  -2.258   1.867
  435   1HD1  LEU  57          HD13      LEU  57  59.217  -4.790   2.376
  436   2HD1  LEU  57          HD12      LEU  57  57.604  -4.831   1.665
  437   3HD1  LEU  57          HD11      LEU  57  58.982  -4.312   0.696
  438   1HD2  LEU  57          HD21      LEU  57  56.183  -2.716   1.889
  439   2HD2  LEU  57          HD23      LEU  57  57.056  -1.233   1.503
  440   3HD2  LEU  57          HD22      LEU  57  57.090  -2.595   0.382
  441    H    GLN  58           HN       GLN  58  57.766  -2.579   6.200
  442    HA   GLN  58           HA       GLN  58  59.309  -0.494   7.390
  443   1HB   GLN  58           HB2      GLN  58  56.996  -0.526   7.822
  444   2HB   GLN  58           HB1      GLN  58  56.996  -2.250   8.192
  445   1HG   GLN  58           HG2      GLN  58  56.750  -0.675  10.192
  446   2HG   GLN  58           HG1      GLN  58  58.018  -1.894  10.319
  447   1HE2  GLN  58          HE22      GLN  58  59.611   1.674   9.146
  448   2HE2  GLN  58          HE21      GLN  58  58.419   0.915   8.203
  449    H    GLU  59           HN       GLU  59  58.967  -3.943   8.268
  450    HA   GLU  59           HA       GLU  59  60.499  -3.980  10.634
  451   1HB   GLU  59           HB2      GLU  59  59.132  -5.807   9.476
  452   2HB   GLU  59           HB1      GLU  59  60.547  -6.085   8.458
  453   1HG   GLU  59           HG2      GLU  59  61.154  -5.943  11.335
  454   2HG   GLU  59           HG1      GLU  59  60.115  -7.296  10.887
  455    H    MET  60           HN       MET  60  61.684  -4.619   7.301
  456    HA   MET  60           HA       MET  60  64.462  -4.713   8.055
  457   1HB   MET  60           HB2      MET  60  63.226  -5.607   5.978
  458   2HB   MET  60           HB1      MET  60  63.329  -3.960   5.354
  459   1HG   MET  60           HG2      MET  60  65.302  -4.806   4.502
  460   2HG   MET  60           HG1      MET  60  65.885  -4.244   6.068
  461   1HE   MET  60           HE3      MET  60  67.702  -5.442   5.455
  462   2HE   MET  60           HE2      MET  60  68.039  -6.853   6.454
  463   3HE   MET  60           HE1      MET  60  67.688  -7.060   4.740
  464    H    ILE  61           HN       ILE  61  62.264  -2.087   7.373
  465    HA   ILE  61           HA       ILE  61  64.474  -0.141   6.991
  466    HB   ILE  61           HB       ILE  61  61.446  -0.033   6.917
  467   1HG1  ILE  61          HG12      ILE  61  63.349   0.631   4.682
  468   2HG1  ILE  61          HG11      ILE  61  62.971  -1.054   5.041
  469   1HG2  ILE  61          HG23      ILE  61  63.484   2.139   6.989
  470   2HG2  ILE  61          HG22      ILE  61  62.164   2.317   5.832
  471   3HG2  ILE  61          HG21      ILE  61  61.813   2.147   7.552
  472   1HD1  ILE  61          HD11      ILE  61  60.476   0.082   5.076
  473   2HD1  ILE  61          HD13      ILE  61  61.278   1.033   3.826
  474   3HD1  ILE  61          HD12      ILE  61  61.183  -0.721   3.675
  475    H    ASP  62           HN       ASP  62  62.845  -1.545   9.577
  476    HA   ASP  62           HA       ASP  62  62.795   0.892  11.264
  477   1HB   ASP  62           HB2      ASP  62  61.069  -1.059  11.112
  478   2HB   ASP  62           HB1      ASP  62  62.215  -1.937  12.123
  479    H    GLU  63           HN       GLU  63  64.995  -1.595  10.458
  480    HA   GLU  63           HA       GLU  63  66.421  -1.349  13.079
  481   1HB   GLU  63           HB2      GLU  63  66.791  -3.296  10.781
  482   2HB   GLU  63           HB1      GLU  63  67.495  -3.430  12.393
  483   1HG   GLU  63           HG2      GLU  63  64.566  -3.101  12.379
  484   2HG   GLU  63           HG1      GLU  63  65.132  -4.597  11.634
  485    H    VAL  64           HN       VAL  64  67.035  -1.298   9.546
  486    HA   VAL  64           HA       VAL  64  69.778  -0.432   9.798
  487    HB   VAL  64           HB       VAL  64  68.508  -1.595   7.871
  488   1HG1  VAL  64          HG11      VAL  64  67.054   0.805   7.962
  489   2HG1  VAL  64          HG13      VAL  64  68.047   0.928   6.510
  490   3HG1  VAL  64          HG12      VAL  64  66.954  -0.440   6.719
  491   1HG2  VAL  64          HG21      VAL  64  70.867  -0.339   7.936
  492   2HG2  VAL  64          HG23      VAL  64  70.208  -0.983   6.431
  493   3HG2  VAL  64          HG22      VAL  64  70.046   0.734   6.803
  494    H    ASP  65           HN       ASP  65  66.764   1.228  10.070
  495    HA   ASP  65           HA       ASP  65  67.590   3.845   9.172
  496   1HB   ASP  65           HB2      ASP  65  65.255   2.717   9.729
  497   2HB   ASP  65           HB1      ASP  65  65.557   3.388  11.332
  498    H    GLU  66           HN       GLU  66  69.395   4.758  10.130
  499    HA   GLU  66           HA       GLU  66  69.832   4.445  13.050
  500   1HB   GLU  66           HB2      GLU  66  71.408   5.580  10.725
  501   2HB   GLU  66           HB1      GLU  66  71.985   5.648  12.392
  502   1HG   GLU  66           HG2      GLU  66  72.244   3.336  12.539
  503   2HG   GLU  66           HG1      GLU  66  71.067   3.021  11.265
  504    H    ASP  67           HN       ASP  67  69.043   6.934  10.653
  505    HA   ASP  67           HA       ASP  67  69.330   9.194  12.439
  506   1HB   ASP  67           HB2      ASP  67  68.021  10.309  10.603
  507   2HB   ASP  67           HB1      ASP  67  69.410   9.398  10.012
  508    H    GLY  68           HN       GLY  68  67.013   6.698  12.235
  509   1HA   GLY  68           HA2      GLY  68  64.975   6.376  13.351
  510   2HA   GLY  68           HA1      GLY  68  65.415   7.753  14.362
  511    H    SER  69           HN       SER  69  65.460   8.459  11.030
  512    HA   SER  69           HA       SER  69  63.230  10.321  11.297
  513   1HB   SER  69           HB2      SER  69  63.985  11.069   9.184
  514   2HB   SER  69           HB1      SER  69  65.449  10.458   9.946
  515    HG   SER  69           HG       SER  69  64.970   8.438   8.855
  516    H    GLY  70           HN       GLY  70  63.691   7.094   9.982
  517   1HA   GLY  70           HA2      GLY  70  61.826   5.579   9.657
  518   2HA   GLY  70           HA1      GLY  70  60.773   6.976   9.427
  519    H    THR  71           HN       THR  71  62.968   8.165   7.648
  520    HA   THR  71           HA       THR  71  61.992   6.919   5.150
  521    HB   THR  71           HB       THR  71  63.466   8.908   4.276
  522    HG1  THR  71           HG1      THR  71  64.354   8.991   6.554
  523   1HG2  THR  71          HG21      THR  71  60.807   8.687   5.262
  524   2HG2  THR  71          HG23      THR  71  61.427  10.257   5.770
  525   3HG2  THR  71          HG22      THR  71  61.426   9.820   4.060
  526    H    VAL  72           HN       VAL  72  63.621   6.425   3.413
  527    HA   VAL  72           HA       VAL  72  66.128   5.275   4.586
  528    HB   VAL  72           HB       VAL  72  64.706   4.405   2.061
  529   1HG1  VAL  72          HG12      VAL  72  67.128   3.713   3.053
  530   2HG1  VAL  72          HG11      VAL  72  66.113   2.533   3.882
  531   3HG1  VAL  72          HG13      VAL  72  66.119   2.608   2.121
  532   1HG2  VAL  72          HG21      VAL  72  64.136   3.668   4.941
  533   2HG2  VAL  72          HG23      VAL  72  62.992   4.205   3.710
  534   3HG2  VAL  72          HG22      VAL  72  63.714   2.600   3.603
  535    H    ASP  73           HN       ASP  73  67.590   6.965   4.121
  536    HA   ASP  73           HA       ASP  73  67.599   8.207   1.435
  537   1HB   ASP  73           HB2      ASP  73  67.926   9.532   3.489
  538   2HB   ASP  73           HB1      ASP  73  69.334   8.553   3.903
  539    H    PHE  74           HN       PHE  74  69.830   8.369   0.345
  540    HA   PHE  74           HA       PHE  74  70.813   5.949  -0.565
  541   1HB   PHE  74           HB2      PHE  74  71.349   8.471  -1.105
  542   2HB   PHE  74           HB1      PHE  74  72.698   8.224   0.005
  543    HD1  PHE  74           HD1      PHE  74  71.086   5.911  -2.462
  544    HD2  PHE  74           HD2      PHE  74  74.643   8.014  -1.289
  545    HE1  PHE  74           HE1      PHE  74  72.357   4.760  -4.254
  546    HE2  PHE  74           HE2      PHE  74  75.913   6.864  -3.080
  547    HZ   PHE  74           HZ       PHE  74  74.771   5.237  -4.563
  548    H    ASP  75           HN       ASP  75  71.546   7.516   2.502
  549    HA   ASP  75           HA       ASP  75  73.871   5.974   3.201
  550   1HB   ASP  75           HB2      ASP  75  71.771   7.142   5.047
  551   2HB   ASP  75           HB1      ASP  75  73.492   6.933   5.374
  552    H    GLU  76           HN       GLU  76  70.544   5.679   4.514
  553    HA   GLU  76           HA       GLU  76  71.046   2.981   5.503
  554   1HB   GLU  76           HB2      GLU  76  68.465   4.536   5.138
  555   2HB   GLU  76           HB1      GLU  76  68.716   3.167   6.221
  556   1HG   GLU  76           HG2      GLU  76  69.954   4.407   7.730
  557   2HG   GLU  76           HG1      GLU  76  70.538   5.523   6.494
  558    H    PHE  77           HN       PHE  77  69.324   4.406   2.732
  559    HA   PHE  77           HA       PHE  77  67.910   2.263   1.689
  560   1HB   PHE  77           HB2      PHE  77  68.060   4.519   0.709
  561   2HB   PHE  77           HB1      PHE  77  69.732   4.212   0.238
  562    HD1  PHE  77           HD2      PHE  77  66.433   2.430  -0.031
  563    HD2  PHE  77           HD1      PHE  77  70.046   3.666  -1.996
  564    HE1  PHE  77           HE2      PHE  77  65.651   1.371  -2.132
  565    HE2  PHE  77           HE1      PHE  77  69.265   2.607  -4.098
  566    HZ   PHE  77           HZ       PHE  77  67.067   1.460  -4.166
  567    H    LEU  78           HN       LEU  78  71.416   2.861   1.263
  568    HA   LEU  78           HA       LEU  78  71.893   0.458  -0.272
  569   1HB   LEU  78           HB2      LEU  78  73.423   2.614   1.090
  570   2HB   LEU  78           HB1      LEU  78  74.295   1.109   0.800
  571    HG   LEU  78           HG       LEU  78  72.697   2.453  -1.379
  572   1HD1  LEU  78          HD13      LEU  78  74.556   3.916  -0.294
  573   2HD1  LEU  78          HD12      LEU  78  75.675   2.780  -1.046
  574   3HD1  LEU  78          HD11      LEU  78  74.567   3.719  -2.046
  575   1HD2  LEU  78          HD22      LEU  78  74.776   0.290  -1.167
  576   2HD2  LEU  78          HD21      LEU  78  73.245   0.276  -2.042
  577   3HD2  LEU  78          HD23      LEU  78  74.611   1.198  -2.670
  578    H    VAL  79           HN       VAL  79  72.587   1.291   3.149
  579    HA   VAL  79           HA       VAL  79  73.632  -1.127   4.059
  580    HB   VAL  79           HB       VAL  79  71.591   0.653   5.433
  581   1HG1  VAL  79          HG11      VAL  79  73.787  -1.140   6.517
  582   2HG1  VAL  79          HG13      VAL  79  72.784  -0.062   7.488
  583   3HG1  VAL  79          HG12      VAL  79  72.053  -1.431   6.650
  584   1HG2  VAL  79          HG22      VAL  79  74.116   1.308   4.354
  585   2HG2  VAL  79          HG21      VAL  79  73.158   2.275   5.475
  586   3HG2  VAL  79          HG23      VAL  79  74.366   1.149   6.092
  587    H    MET  80           HN       MET  80  70.247  -0.330   3.374
  588    HA   MET  80           HA       MET  80  69.098  -2.718   4.519
  589   1HB   MET  80           HB2      MET  80  68.289  -0.320   3.277
  590   2HB   MET  80           HB1      MET  80  67.656  -1.612   2.255
  591   1HG   MET  80           HG2      MET  80  66.504  -2.623   4.101
  592   2HG   MET  80           HG1      MET  80  67.324  -1.580   5.262
  593   1HE   MET  80           HE1      MET  80  64.998  -2.164   2.577
  594   2HE   MET  80           HE3      MET  80  63.786  -0.875   2.594
  595   3HE   MET  80           HE2      MET  80  65.299  -0.654   1.720
  596    H    MET  81           HN       MET  81  70.381  -1.890   1.318
  597    HA   MET  81           HA       MET  81  69.500  -4.333   0.016
  598   1HB   MET  81           HB2      MET  81  71.001  -1.888  -0.543
  599   2HB   MET  81           HB1      MET  81  71.706  -3.288  -1.348
  600   1HG   MET  81           HG2      MET  81  69.652  -3.802  -2.460
  601   2HG   MET  81           HG1      MET  81  68.747  -2.673  -1.452
  602   1HE   MET  81           HE3      MET  81  67.914  -2.268  -4.006
  603   2HE   MET  81           HE2      MET  81  67.719  -0.902  -2.909
  604   3HE   MET  81           HE1      MET  81  68.309  -0.630  -4.547
  605    H    VAL  82           HN       VAL  82  72.717  -3.212   1.151
  606    HA   VAL  82           HA       VAL  82  74.207  -5.545   0.651
  607    HB   VAL  82           HB       VAL  82  75.205  -3.465   1.373
  608   1HG1  VAL  82          HG12      VAL  82  73.464  -3.870   3.811
  609   2HG1  VAL  82          HG11      VAL  82  74.834  -2.758   3.810
  610   3HG1  VAL  82          HG13      VAL  82  73.484  -2.496   2.706
  611   1HG2  VAL  82          HG23      VAL  82  75.959  -5.889   2.349
  612   2HG2  VAL  82          HG22      VAL  82  76.846  -4.398   2.666
  613   3HG2  VAL  82          HG21      VAL  82  75.698  -5.010   3.857
  614    H    ARG  83           HN       ARG  83  71.787  -4.938   3.109
  615    HA   ARG  83           HA       ARG  83  72.548  -7.329   4.685
  616   1HB   ARG  83           HB2      ARG  83  70.604  -5.041   4.888
  617   2HB   ARG  83           HB1      ARG  83  70.379  -6.465   5.904
  618   1HG   ARG  83           HG2      ARG  83  72.479  -6.175   6.970
  619   2HG   ARG  83           HG1      ARG  83  73.038  -5.042   5.738
  620   1HD   ARG  83           HD2      ARG  83  71.385  -3.377   6.477
  621   2HD   ARG  83           HD1      ARG  83  70.762  -4.518   7.687
  622    HE   ARG  83           HE       ARG  83  73.617  -3.610   7.702
  623   1HH1  ARG  83          HH21      ARG  83  71.875  -5.699   9.435
  624   2HH1  ARG  83          HH22      ARG  83  71.899  -4.842  10.941
  625   1HH2  ARG  83          HH11      ARG  83  73.111  -1.904   9.553
  626   2HH2  ARG  83          HH12      ARG  83  72.601  -2.695  11.007
  627    H    CYS  84           HN       CYS  84  70.135  -6.312   2.321
  628    HA   CYS  84           HA       CYS  84  68.648  -8.875   2.685
  629   1HB   CYS  84           HB2      CYS  84  67.794  -6.325   2.477
  630   2HB   CYS  84           HB1      CYS  84  67.797  -6.759   0.768
  631    HG   CYS  84           HG       CYS  84  65.544  -7.440   2.331
  632    H    MET  85           HN       MET  85  71.150  -7.640   0.804
  633    HA   MET  85           HA       MET  85  70.358  -9.047  -1.686
  634   1HB   MET  85           HB2      MET  85  72.207  -7.865  -2.637
  635   2HB   MET  85           HB1      MET  85  71.466  -6.737  -1.501
  636   1HG   MET  85           HG2      MET  85  73.152  -7.156   0.154
  637   2HG   MET  85           HG1      MET  85  73.784  -8.535  -0.745
  638   1HE   MET  85           HE2      MET  85  72.415  -5.618  -2.663
  639   2HE   MET  85           HE1      MET  85  72.890  -4.721  -1.223
  640   3HE   MET  85           HE3      MET  85  73.711  -4.428  -2.763
  641    H    LYS  86           HN       LYS  86  71.840  -9.855   1.216
  642    HA   LYS  86           HA       LYS  86  73.541 -11.956  -0.086
  643   1HB   LYS  86           HB2      LYS  86  74.093  -9.986   1.827
  644   2HB   LYS  86           HB1      LYS  86  73.958 -11.476   2.761
  645   1HG   LYS  86           HG2      LYS  86  75.672 -12.543   1.521
  646   2HG   LYS  86           HG1      LYS  86  75.592 -11.347   0.227
  647   1HD   LYS  86           HD2      LYS  86  77.311 -10.309   1.265
  648   2HD   LYS  86           HD1      LYS  86  76.132  -9.817   2.482
  649   1HE   LYS  86           HE2      LYS  86  76.596 -12.130   3.575
  650   2HE   LYS  86           HE1      LYS  86  78.058 -12.139   2.568
  651   1HZ   LYS  86           HZ1      LYS  86  78.200  -9.681   3.434
  652   2HZ   LYS  86           HZ3      LYS  86  77.306 -10.309   4.732
  653   3HZ   LYS  86           HZ2      LYS  86  78.826 -10.965   4.353
  654    H    ASP  87           HN       ASP  87  73.485 -14.092   0.920
  655    HA   ASP  87           HA       ASP  87  70.808 -14.850   1.848
  656   1HB   ASP  87           HB2      ASP  87  72.655 -16.021   0.303
  657   2HB   ASP  87           HB1      ASP  87  73.159 -16.699   1.852
  658    H    ASP  88           HN       ASP  88  70.586 -13.958   3.966
  659    HA   ASP  88           HA       ASP  88  72.426 -15.138   6.023
  660   1HB   ASP  88           HB2      ASP  88  72.371 -13.038   7.166
  661   2HB   ASP  88           HB1      ASP  88  72.612 -12.634   5.467
  662    H    SER  89           HN       SER  89  69.851 -16.186   5.021
  663    HA   SER  89           HA       SER  89  68.046 -15.715   7.358
  664   1HB   SER  89           HB2      SER  89  67.489 -15.527   4.774
  665   2HB   SER  89           HB1      SER  89  67.337 -17.277   4.895
  666    HG   SER  89           HG       SER  89  65.919 -16.813   6.740
   
  No H/Q in entry =         666
  Start of MODEL   15
    1   1H    MET   1           HT1      MET   1  82.701  -0.877  16.616
    2   2H    MET   1           HT3      MET   1  81.776  -0.960  18.035
    3   3H    MET   1           HT2      MET   1  81.144  -0.198  16.654
    4    HA   MET   1           HA       MET   1  81.807   1.568  18.038
    5   1HB   MET   1           HB2      MET   1  83.721  -0.511  18.780
    6   2HB   MET   1           HB1      MET   1  84.492   1.068  18.629
    7   1HG   MET   1           HG2      MET   1  82.244   1.770  19.974
    8   2HG   MET   1           HG1      MET   1  82.469   0.132  20.586
    9   1HE   MET   1           HE1      MET   1  83.905  -0.749  21.707
   10   2HE   MET   1           HE3      MET   1  85.627  -0.347  21.748
   11   3HE   MET   1           HE2      MET   1  84.581   0.104  23.092
   12    H    ASP   2           HN       ASP   2  84.285  -0.073  16.032
   13    HA   ASP   2           HA       ASP   2  85.122   2.517  14.874
   14   1HB   ASP   2           HB2      ASP   2  86.768   0.994  13.716
   15   2HB   ASP   2           HB1      ASP   2  86.805   0.870  15.475
   16    H    ASP   3           HN       ASP   3  82.436   1.952  14.251
   17    HA   ASP   3           HA       ASP   3  80.994   1.838  12.383
   18   1HB   ASP   3           HB2      ASP   3  83.638   2.123  10.918
   19   2HB   ASP   3           HB1      ASP   3  82.043   2.536  10.286
   20    H    ILE   4           HN       ILE   4  80.071  -0.099  11.852
   21    HA   ILE   4           HA       ILE   4  81.861  -2.329  10.947
   22    HB   ILE   4           HB       ILE   4  79.148  -2.280  12.307
   23   1HG1  ILE   4          HG12      ILE   4  81.744  -3.429  13.341
   24   2HG1  ILE   4          HG11      ILE   4  81.318  -1.738  13.602
   25   1HG2  ILE   4          HG22      ILE   4  80.239  -4.264  10.631
   26   2HG2  ILE   4          HG21      ILE   4  80.502  -4.841  12.276
   27   3HG2  ILE   4          HG23      ILE   4  78.874  -4.441  11.732
   28   1HD1  ILE   4          HD11      ILE   4  79.256  -3.801  14.243
   29   2HD1  ILE   4          HD13      ILE   4  80.620  -3.633  15.349
   30   3HD1  ILE   4          HD12      ILE   4  79.573  -2.251  15.023
   31    H    TYR   5           HN       TYR   5  78.353  -1.747  10.618
   32    HA   TYR   5           HA       TYR   5  78.104  -2.881   8.032
   33   1HB   TYR   5           HB2      TYR   5  76.566  -0.975   9.761
   34   2HB   TYR   5           HB1      TYR   5  76.038  -1.204   8.094
   35    HD1  TYR   5           HD2      TYR   5  76.669  -2.918  11.322
   36    HD2  TYR   5           HD1      TYR   5  75.032  -3.263   7.365
   37    HE1  TYR   5           HE2      TYR   5  75.586  -5.057  11.956
   38    HE2  TYR   5           HE1      TYR   5  73.949  -5.403   8.001
   39    HH   TYR   5           HH       TYR   5  73.997  -6.567  11.329
   40    H    LYS   6           HN       LYS   6  78.799   0.463   9.024
   41    HA   LYS   6           HA       LYS   6  78.521   1.855   6.619
   42   1HB   LYS   6           HB2      LYS   6  80.260   1.982   9.032
   43   2HB   LYS   6           HB1      LYS   6  80.764   2.960   7.654
   44   1HG   LYS   6           HG2      LYS   6  78.075   3.478   7.726
   45   2HG   LYS   6           HG1      LYS   6  78.440   3.290   9.442
   46   1HD   LYS   6           HD2      LYS   6  79.061   5.478   9.299
   47   2HD   LYS   6           HD1      LYS   6  80.554   4.813   8.638
   48   1HE   LYS   6           HE2      LYS   6  79.780   5.139   6.366
   49   2HE   LYS   6           HE1      LYS   6  78.162   5.594   6.936
   50   1HZ   LYS   6           HZ2      LYS   6  80.550   7.008   7.931
   51   2HZ   LYS   6           HZ1      LYS   6  79.853   7.456   6.447
   52   3HZ   LYS   6           HZ3      LYS   6  78.939   7.544   7.873
   53    H    ALA   7           HN       ALA   7  80.852  -0.610   7.437
   54    HA   ALA   7           HA       ALA   7  82.732   0.041   5.288
   55   1HB   ALA   7           HB3      ALA   7  82.607  -1.547   7.633
   56   2HB   ALA   7           HB2      ALA   7  82.885  -2.662   6.295
   57   3HB   ALA   7           HB1      ALA   7  83.997  -1.321   6.572
   58    H    ALA   8           HN       ALA   8  80.388  -2.611   5.881
   59    HA   ALA   8           HA       ALA   8  80.650  -4.029   3.481
   60   1HB   ALA   8           HB2      ALA   8  78.950  -3.925   5.693
   61   2HB   ALA   8           HB1      ALA   8  77.875  -3.653   4.321
   62   3HB   ALA   8           HB3      ALA   8  78.870  -5.106   4.386
   63    H    VAL   9           HN       VAL   9  79.152  -0.900   4.041
   64    HA   VAL   9           HA       VAL   9  77.706  -0.783   1.518
   65    HB   VAL   9           HB       VAL   9  78.641   1.323   3.496
   66   1HG1  VAL   9          HG12      VAL   9  78.028   2.096   1.126
   67   2HG1  VAL   9          HG11      VAL   9  76.389   1.559   1.493
   68   3HG1  VAL   9          HG13      VAL   9  77.133   2.839   2.452
   69   1HG2  VAL   9          HG23      VAL   9  76.718  -0.731   3.721
   70   2HG2  VAL   9          HG22      VAL   9  76.923   0.651   4.795
   71   3HG2  VAL   9          HG21      VAL   9  75.803   0.750   3.437
   72    H    GLU  10           HN       GLU  10  80.856   0.413   2.686
   73    HA   GLU  10           HA       GLU  10  81.538   1.789   0.223
   74   1HB   GLU  10           HB2      GLU  10  82.529   1.420   2.869
   75   2HB   GLU  10           HB1      GLU  10  83.820   0.952   1.761
   76   1HG   GLU  10           HG2      GLU  10  82.263   3.513   1.389
   77   2HG   GLU  10           HG1      GLU  10  83.699   3.438   2.411
   78    H    GLN  11           HN       GLN  11  81.752  -1.513   1.338
   79    HA   GLN  11           HA       GLN  11  83.843  -2.440  -0.408
   80   1HB   GLN  11           HB2      GLN  11  81.810  -3.471   1.430
   81   2HB   GLN  11           HB1      GLN  11  82.084  -4.552   0.063
   82   1HG   GLN  11           HG2      GLN  11  83.603  -5.001   2.013
   83   2HG   GLN  11           HG1      GLN  11  84.466  -4.621   0.522
   84   1HE2  GLN  11          HE22      GLN  11  84.479  -1.879   3.586
   85   2HE2  GLN  11          HE21      GLN  11  83.269  -3.069   3.539
   86    H    LEU  12           HN       LEU  12  80.631  -1.416  -1.025
   87    HA   LEU  12           HA       LEU  12  79.900  -3.117  -3.212
   88   1HB   LEU  12           HB2      LEU  12  79.247  -0.230  -2.532
   89   2HB   LEU  12           HB1      LEU  12  78.369  -1.197  -3.717
   90    HG   LEU  12           HG       LEU  12  78.663  -1.857  -0.771
   91   1HD1  LEU  12          HD11      LEU  12  76.968  -0.025  -1.984
   92   2HD1  LEU  12          HD13      LEU  12  75.983  -1.485  -1.895
   93   3HD1  LEU  12          HD12      LEU  12  76.687  -0.807  -0.428
   94   1HD2  LEU  12          HD22      LEU  12  77.846  -3.403  -3.128
   95   2HD2  LEU  12          HD21      LEU  12  78.260  -3.964  -1.508
   96   3HD2  LEU  12          HD23      LEU  12  76.628  -3.393  -1.853
   97    H    THR  13           HN       THR  13  79.931  -2.510  -5.528
   98    HA   THR  13           HA       THR  13  82.525  -1.404  -6.341
   99    HB   THR  13           HB       THR  13  81.053  -1.866  -8.616
  100    HG1  THR  13           HG1      THR  13  79.373  -2.988  -8.120
  101   1HG2  THR  13          HG22      THR  13  83.273  -2.852  -7.713
  102   2HG2  THR  13          HG21      THR  13  82.264  -4.137  -7.051
  103   3HG2  THR  13          HG23      THR  13  82.303  -3.855  -8.792
  104    H    GLU  14           HN       GLU  14  82.548   0.272  -8.155
  105    HA   GLU  14           HA       GLU  14  81.166   2.665  -7.339
  106   1HB   GLU  14           HB2      GLU  14  83.309   1.888  -8.976
  107   2HB   GLU  14           HB1      GLU  14  82.163   2.657 -10.074
  108   1HG   GLU  14           HG2      GLU  14  82.516   4.712  -9.185
  109   2HG   GLU  14           HG1      GLU  14  82.486   4.094  -7.533
  110    H    GLU  15           HN       GLU  15  80.597   0.271  -9.900
  111    HA   GLU  15           HA       GLU  15  78.434   1.759 -11.161
  112   1HB   GLU  15           HB2      GLU  15  78.121  -0.485 -12.292
  113   2HB   GLU  15           HB1      GLU  15  79.762   0.152 -12.398
  114   1HG   GLU  15           HG2      GLU  15  80.622  -1.489 -11.069
  115   2HG   GLU  15           HG1      GLU  15  79.215  -1.501 -10.007
  116    H    GLN  16           HN       GLN  16  78.679   0.017  -8.260
  117    HA   GLN  16           HA       GLN  16  76.038  -1.197  -8.199
  118   1HB   GLN  16           HB2      GLN  16  78.109  -1.821  -6.870
  119   2HB   GLN  16           HB1      GLN  16  77.844  -0.364  -5.911
  120   1HG   GLN  16           HG2      GLN  16  76.191  -1.339  -4.723
  121   2HG   GLN  16           HG1      GLN  16  75.407  -1.945  -6.182
  122   1HE2  GLN  16          HE22      GLN  16  76.413  -5.032  -4.530
  123   2HE2  GLN  16          HE21      GLN  16  75.184  -3.862  -4.459
  124    H    LYS  17           HN       LYS  17  77.323   1.466  -6.172
  125    HA   LYS  17           HA       LYS  17  74.766   2.462  -5.386
  126   1HB   LYS  17           HB2      LYS  17  76.148   4.473  -4.758
  127   2HB   LYS  17           HB1      LYS  17  76.834   2.948  -4.196
  128   1HG   LYS  17           HG2      LYS  17  77.930   3.187  -6.713
  129   2HG   LYS  17           HG1      LYS  17  77.892   4.862  -6.160
  130   1HD   LYS  17           HD2      LYS  17  78.832   3.766  -3.920
  131   2HD   LYS  17           HD1      LYS  17  79.396   2.532  -5.047
  132   1HE   LYS  17           HE2      LYS  17  81.198   3.977  -5.199
  133   2HE   LYS  17           HE1      LYS  17  80.152   4.754  -6.405
  134   1HZ   LYS  17           HZ3      LYS  17  79.139   5.990  -4.479
  135   2HZ   LYS  17           HZ2      LYS  17  80.439   5.438  -3.534
  136   3HZ   LYS  17           HZ1      LYS  17  80.725   6.439  -4.877
  137    H    ASN  18           HN       ASN  18  76.794   3.129  -8.200
  138    HA   ASN  18           HA       ASN  18  75.577   5.525  -9.125
  139   1HB   ASN  18           HB2      ASN  18  77.340   3.412 -10.046
  140   2HB   ASN  18           HB1      ASN  18  76.263   3.928 -11.346
  141   1HD2  ASN  18          HD22      ASN  18  79.384   6.196 -10.752
  142   2HD2  ASN  18          HD21      ASN  18  79.275   4.516 -10.533
  143    H    GLU  19           HN       GLU  19  74.673   2.113  -9.628
  144    HA   GLU  19           HA       GLU  19  72.504   2.631 -11.454
  145   1HB   GLU  19           HB2      GLU  19  73.876   0.472 -10.700
  146   2HB   GLU  19           HB1      GLU  19  72.531   0.302  -9.572
  147   1HG   GLU  19           HG2      GLU  19  70.960   0.021 -11.271
  148   2HG   GLU  19           HG1      GLU  19  71.956   0.853 -12.465
  149    H    PHE  20           HN       PHE  20  72.664   2.205  -7.913
  150    HA   PHE  20           HA       PHE  20  69.842   2.351  -7.421
  151   1HB   PHE  20           HB2      PHE  20  72.333   2.965  -5.808
  152   2HB   PHE  20           HB1      PHE  20  70.716   3.009  -5.104
  153    HD1  PHE  20           HD1      PHE  20  69.281   0.813  -6.217
  154    HD2  PHE  20           HD2      PHE  20  73.442   1.013  -5.168
  155    HE1  PHE  20           HE1      PHE  20  69.331  -1.651  -5.940
  156    HE2  PHE  20           HE2      PHE  20  73.491  -1.451  -4.892
  157    HZ   PHE  20           HZ       PHE  20  71.434  -2.783  -5.277
  158    H    LYS  21           HN       LYS  21  72.361   4.826  -7.740
  159    HA   LYS  21           HA       LYS  21  71.040   7.109  -6.774
  160   1HB   LYS  21           HB2      LYS  21  73.400   6.777  -7.731
  161   2HB   LYS  21           HB1      LYS  21  72.669   6.979  -9.324
  162   1HG   LYS  21           HG2      LYS  21  72.036   9.206  -8.887
  163   2HG   LYS  21           HG1      LYS  21  72.200   9.005  -7.142
  164   1HD   LYS  21           HD2      LYS  21  74.560   8.750  -9.012
  165   2HD   LYS  21           HD1      LYS  21  74.077  10.298  -8.320
  166   1HE   LYS  21           HE2      LYS  21  74.142   9.048  -6.030
  167   2HE   LYS  21           HE1      LYS  21  75.123   7.852  -6.899
  168   1HZ   LYS  21           HZ1      LYS  21  75.760  10.646  -7.396
  169   2HZ   LYS  21           HZ3      LYS  21  76.152  10.069  -5.850
  170   3HZ   LYS  21           HZ2      LYS  21  76.796   9.310  -7.226
  171    H    ALA  22           HN       ALA  22  70.979   5.876 -10.143
  172    HA   ALA  22           HA       ALA  22  69.072   7.717 -11.158
  173   1HB   ALA  22           HB2      ALA  22  70.562   5.543 -12.035
  174   2HB   ALA  22           HB1      ALA  22  68.899   4.980 -12.208
  175   3HB   ALA  22           HB3      ALA  22  69.420   6.457 -13.020
  176    H    ALA  23           HN       ALA  23  68.617   4.550  -9.576
  177    HA   ALA  23           HA       ALA  23  65.743   4.490  -9.877
  178   1HB   ALA  23           HB3      ALA  23  67.541   2.660  -9.303
  179   2HB   ALA  23           HB2      ALA  23  67.279   3.183  -7.639
  180   3HB   ALA  23           HB1      ALA  23  65.936   2.536  -8.583
  181    H    PHE  24           HN       PHE  24  67.933   5.616  -7.307
  182    HA   PHE  24           HA       PHE  24  66.190   6.157  -5.210
  183   1HB   PHE  24           HB2      PHE  24  68.478   6.620  -4.903
  184   2HB   PHE  24           HB1      PHE  24  68.585   7.554  -6.392
  185    HD1  PHE  24           HD1      PHE  24  67.562   9.835  -6.514
  186    HD2  PHE  24           HD2      PHE  24  67.828   7.642  -2.831
  187    HE1  PHE  24           HE1      PHE  24  67.156  11.925  -5.242
  188    HE2  PHE  24           HE2      PHE  24  67.422   9.731  -1.558
  189    HZ   PHE  24           HZ       PHE  24  67.086  11.873  -2.763
  190    H    ASP  25           HN       ASP  25  66.782   8.223  -8.077
  191    HA   ASP  25           HA       ASP  25  64.917  10.289  -7.324
  192   1HB   ASP  25           HB2      ASP  25  66.561   9.451  -9.625
  193   2HB   ASP  25           HB1      ASP  25  65.105  10.343 -10.072
  194    H    ILE  26           HN       ILE  26  64.424   7.086  -8.398
  195    HA   ILE  26           HA       ILE  26  61.872   7.620  -9.774
  196    HB   ILE  26           HB       ILE  26  63.091   4.987  -8.912
  197   1HG1  ILE  26          HG12      ILE  26  64.774   6.413 -10.092
  198   2HG1  ILE  26          HG11      ILE  26  64.329   4.979 -11.017
  199   1HG2  ILE  26          HG22      ILE  26  60.782   5.772 -10.401
  200   2HG2  ILE  26          HG21      ILE  26  61.912   4.992 -11.508
  201   3HG2  ILE  26          HG23      ILE  26  61.362   4.140 -10.067
  202   1HD1  ILE  26          HD13      ILE  26  62.747   7.477 -11.456
  203   2HD1  ILE  26          HD12      ILE  26  64.366   7.388 -12.152
  204   3HD1  ILE  26          HD11      ILE  26  63.149   6.189 -12.593
  205    H    PHE  27           HN       PHE  27  63.019   6.491  -6.619
  206    HA   PHE  27           HA       PHE  27  60.325   5.685  -5.745
  207   1HB   PHE  27           HB2      PHE  27  62.813   6.064  -4.070
  208   2HB   PHE  27           HB1      PHE  27  61.488   4.932  -3.806
  209    HD1  PHE  27           HD1      PHE  27  61.096   3.780  -6.487
  210    HD2  PHE  27           HD2      PHE  27  64.727   4.731  -4.398
  211    HE1  PHE  27           HE1      PHE  27  62.304   2.058  -7.802
  212    HE2  PHE  27           HE2      PHE  27  65.934   3.009  -5.713
  213    HZ   PHE  27           HZ       PHE  27  64.723   1.675  -7.415
  214    H    VAL  28           HN       VAL  28  62.482   8.462  -5.430
  215    HA   VAL  28           HA       VAL  28  60.878   9.730  -3.326
  216    HB   VAL  28           HB       VAL  28  62.574  11.462  -3.555
  217   1HG1  VAL  28          HG11      VAL  28  63.125   8.709  -3.124
  218   2HG1  VAL  28          HG13      VAL  28  64.481   9.372  -4.036
  219   3HG1  VAL  28          HG12      VAL  28  64.015  10.096  -2.497
  220   1HG2  VAL  28          HG23      VAL  28  62.913  10.165  -6.224
  221   2HG2  VAL  28          HG22      VAL  28  62.944  11.877  -5.799
  222   3HG2  VAL  28          HG21      VAL  28  64.345  10.859  -5.462
  223    H    LEU  29           HN       LEU  29  60.060   9.174  -6.397
  224    HA   LEU  29           HA       LEU  29  59.567  11.579  -7.738
  225   1HB   LEU  29           HB2      LEU  29  58.758   8.870  -7.819
  226   2HB   LEU  29           HB1      LEU  29  57.273   9.820  -7.852
  227    HG   LEU  29           HG       LEU  29  58.581  11.266  -9.621
  228   1HD1  LEU  29          HD11      LEU  29  60.283   8.906  -9.214
  229   2HD1  LEU  29          HD13      LEU  29  59.864   9.185 -10.904
  230   3HD1  LEU  29          HD12      LEU  29  60.667  10.450  -9.973
  231   1HD2  LEU  29          HD22      LEU  29  56.699   9.204  -9.742
  232   2HD2  LEU  29          HD21      LEU  29  57.106  10.316 -11.049
  233   3HD2  LEU  29          HD23      LEU  29  57.910   8.751 -10.940
  234    H    GLY  30           HN       GLY  30  57.950  10.287  -4.887
  235   1HA   GLY  30           HA2      GLY  30  56.094  12.633  -4.926
  236   2HA   GLY  30           HA1      GLY  30  55.752  11.116  -4.092
  237    H    ALA  31           HN       ALA  31  58.894  11.445  -3.488
  238    HA   ALA  31           HA       ALA  31  58.668  12.103  -0.752
  239   1HB   ALA  31           HB1      ALA  31  60.686  11.576  -2.744
  240   2HB   ALA  31           HB3      ALA  31  61.225  12.894  -1.704
  241   3HB   ALA  31           HB2      ALA  31  60.780  11.340  -0.998
  242    H    GLU  32           HN       GLU  32  59.445  14.087   0.356
  243    HA   GLU  32           HA       GLU  32  58.672  16.540  -1.160
  244   1HB   GLU  32           HB2      GLU  32  58.991  15.930   1.799
  245   2HB   GLU  32           HB1      GLU  32  58.412  17.462   1.141
  246   1HG   GLU  32           HG2      GLU  32  56.591  16.142  -0.037
  247   2HG   GLU  32           HG1      GLU  32  57.093  14.746   0.917
  248    H    ASP  33           HN       ASP  33  61.289  15.151   0.802
  249    HA   ASP  33           HA       ASP  33  62.990  17.524   0.127
  250   1HB   ASP  33           HB2      ASP  33  64.350  16.565   2.083
  251   2HB   ASP  33           HB1      ASP  33  62.764  17.221   2.488
  252    H    GLY  34           HN       GLY  34  62.362  14.787  -1.330
  253   1HA   GLY  34           HA2      GLY  34  63.645  13.573  -2.903
  254   2HA   GLY  34           HA1      GLY  34  65.074  14.455  -2.363
  255    H    CYS  35           HN       CYS  35  62.763  12.077  -0.997
  256    HA   CYS  35           HA       CYS  35  65.108  10.472  -0.076
  257   1HB   CYS  35           HB2      CYS  35  63.011  11.880   1.498
  258   2HB   CYS  35           HB1      CYS  35  63.443  10.260   2.047
  259    HG   CYS  35           HG       CYS  35  65.242  12.736   2.207
  260    H    ILE  36           HN       ILE  36  64.356   8.243   0.636
  261    HA   ILE  36           HA       ILE  36  61.971   7.389  -0.976
  262    HB   ILE  36           HB       ILE  36  64.202   5.547  -0.158
  263   1HG1  ILE  36          HG12      ILE  36  64.344   7.420  -2.545
  264   2HG1  ILE  36          HG11      ILE  36  65.289   7.619  -1.069
  265   1HG2  ILE  36          HG21      ILE  36  62.060   5.714  -2.204
  266   2HG2  ILE  36          HG23      ILE  36  63.586   5.016  -2.749
  267   3HG2  ILE  36          HG22      ILE  36  62.727   4.302  -1.382
  268   1HD1  ILE  36          HD11      ILE  36  65.344   5.032  -2.618
  269   2HD1  ILE  36          HD13      ILE  36  66.407   6.374  -3.043
  270   3HD1  ILE  36          HD12      ILE  36  66.516   5.634  -1.445
  271    H    SER  37           HN       SER  37  60.393   7.403   0.682
  272    HA   SER  37           HA       SER  37  60.890   6.412   3.360
  273   1HB   SER  37           HB2      SER  37  58.127   6.403   2.350
  274   2HB   SER  37           HB1      SER  37  58.824   7.302   3.695
  275    HG   SER  37           HG       SER  37  58.625   7.960   0.983
  276    H    THR  38           HN       THR  38  58.946   4.670   4.012
  277    HA   THR  38           HA       THR  38  59.850   2.151   2.854
  278    HB   THR  38           HB       THR  38  58.550   1.205   4.607
  279    HG1  THR  38           HG1      THR  38  56.618   1.913   4.901
  280   1HG2  THR  38          HG23      THR  38  60.239   3.366   5.119
  281   2HG2  THR  38          HG22      THR  38  58.812   3.689   6.105
  282   3HG2  THR  38          HG21      THR  38  59.690   2.171   6.294
  283    H    LYS  39           HN       LYS  39  56.654   3.784   2.987
  284    HA   LYS  39           HA       LYS  39  55.087   2.089   1.470
  285   1HB   LYS  39           HB2      LYS  39  55.345   5.111   1.399
  286   2HB   LYS  39           HB1      LYS  39  53.987   4.234   0.692
  287   1HG   LYS  39           HG2      LYS  39  54.828   4.200   3.605
  288   2HG   LYS  39           HG1      LYS  39  53.384   4.963   2.941
  289   1HD   LYS  39           HD2      LYS  39  53.299   2.316   2.008
  290   2HD   LYS  39           HD1      LYS  39  53.803   2.191   3.693
  291   1HE   LYS  39           HE2      LYS  39  51.359   2.168   3.614
  292   2HE   LYS  39           HE1      LYS  39  51.875   3.724   4.294
  293   1HZ   LYS  39           HZ3      LYS  39  51.964   4.093   1.584
  294   2HZ   LYS  39           HZ2      LYS  39  50.544   3.189   1.817
  295   3HZ   LYS  39           HZ1      LYS  39  50.757   4.667   2.628
  296    H    GLU  40           HN       GLU  40  57.729   4.118   0.335
  297    HA   GLU  40           HA       GLU  40  57.158   3.371  -2.497
  298   1HB   GLU  40           HB2      GLU  40  59.191   5.280  -1.296
  299   2HB   GLU  40           HB1      GLU  40  58.720   5.180  -2.994
  300   1HG   GLU  40           HG2      GLU  40  56.506   5.964  -2.519
  301   2HG   GLU  40           HG1      GLU  40  56.747   5.785  -0.780
  302    H    LEU  41           HN       LEU  41  58.154   1.356  -0.630
  303    HA   LEU  41           HA       LEU  41  60.910   0.922  -1.739
  304   1HB   LEU  41           HB2      LEU  41  60.583   1.376   0.759
  305   2HB   LEU  41           HB1      LEU  41  59.748  -0.176   0.836
  306    HG   LEU  41           HG       LEU  41  62.217  -0.266   1.404
  307   1HD1  LEU  41          HD13      LEU  41  60.609  -2.042   0.018
  308   2HD1  LEU  41          HD12      LEU  41  62.057  -1.955  -0.986
  309   3HD1  LEU  41          HD11      LEU  41  62.187  -2.419   0.710
  310   1HD2  LEU  41          HD21      LEU  41  62.497   1.331  -0.808
  311   2HD2  LEU  41          HD23      LEU  41  63.807   0.394  -0.089
  312   3HD2  LEU  41          HD22      LEU  41  62.914  -0.251  -1.466
  313    H    GLY  42           HN       GLY  42  57.707  -0.382  -1.236
  314   1HA   GLY  42           HA2      GLY  42  58.317  -3.148  -1.752
  315   2HA   GLY  42           HA1      GLY  42  56.725  -2.404  -1.921
  316    H    LYS  43           HN       LYS  43  56.395  -1.080  -3.942
  317    HA   LYS  43           HA       LYS  43  56.814  -2.505  -6.303
  318   1HB   LYS  43           HB2      LYS  43  56.253  -0.391  -7.403
  319   2HB   LYS  43           HB1      LYS  43  55.317  -0.533  -5.915
  320   1HG   LYS  43           HG2      LYS  43  57.322   0.744  -4.827
  321   2HG   LYS  43           HG1      LYS  43  57.695   1.217  -6.485
  322   1HD   LYS  43           HD2      LYS  43  55.087   1.697  -5.013
  323   2HD   LYS  43           HD1      LYS  43  56.267   2.919  -5.491
  324   1HE   LYS  43           HE2      LYS  43  55.893   2.081  -7.910
  325   2HE   LYS  43           HE1      LYS  43  54.441   1.287  -7.266
  326   1HZ   LYS  43           HZ2      LYS  43  54.830   3.993  -6.338
  327   2HZ   LYS  43           HZ1      LYS  43  54.555   3.878  -8.010
  328   3HZ   LYS  43           HZ3      LYS  43  53.424   3.238  -6.920
  329    H    VAL  44           HN       VAL  44  59.033  -0.356  -4.630
  330    HA   VAL  44           HA       VAL  44  60.904   0.072  -6.770
  331    HB   VAL  44           HB       VAL  44  61.160   0.000  -3.746
  332   1HG1  VAL  44          HG12      VAL  44  63.114   0.565  -5.920
  333   2HG1  VAL  44          HG11      VAL  44  63.128   1.658  -4.536
  334   3HG1  VAL  44          HG13      VAL  44  63.389  -0.069  -4.297
  335   1HG2  VAL  44          HG23      VAL  44  60.415   2.061  -5.793
  336   2HG2  VAL  44          HG22      VAL  44  59.727   1.775  -4.194
  337   3HG2  VAL  44          HG21      VAL  44  61.287   2.583  -4.353
  338    H    MET  45           HN       MET  45  60.632  -2.431  -4.250
  339    HA   MET  45           HA       MET  45  63.082  -3.803  -5.002
  340   1HB   MET  45           HB2      MET  45  60.669  -4.317  -3.277
  341   2HB   MET  45           HB1      MET  45  61.811  -5.625  -3.586
  342   1HG   MET  45           HG2      MET  45  62.882  -2.959  -2.742
  343   2HG   MET  45           HG1      MET  45  62.158  -4.004  -1.521
  344   1HE   MET  45           HE3      MET  45  64.398  -3.154  -0.888
  345   2HE   MET  45           HE2      MET  45  65.274  -4.585  -0.351
  346   3HE   MET  45           HE1      MET  45  65.941  -3.585  -1.640
  347    H    ARG  46           HN       ARG  46  59.782  -3.825  -6.128
  348    HA   ARG  46           HA       ARG  46  59.849  -6.447  -7.382
  349   1HB   ARG  46           HB2      ARG  46  58.037  -4.278  -6.898
  350   2HB   ARG  46           HB1      ARG  46  57.985  -4.670  -8.617
  351   1HG   ARG  46           HG2      ARG  46  57.864  -7.146  -7.801
  352   2HG   ARG  46           HG1      ARG  46  57.373  -6.440  -6.260
  353   1HD   ARG  46           HD2      ARG  46  55.861  -5.094  -8.243
  354   2HD   ARG  46           HD1      ARG  46  55.780  -6.824  -8.635
  355    HE   ARG  46           HE       ARG  46  54.747  -5.571  -6.186
  356   1HH1  ARG  46          HH21      ARG  46  56.427  -7.780  -5.185
  357   2HH1  ARG  46          HH22      ARG  46  55.359  -9.142  -5.253
  358   1HH2  ARG  46          HH11      ARG  46  53.109  -7.608  -7.397
  359   2HH2  ARG  46          HH12      ARG  46  53.482  -9.045  -6.505
  360    H    MET  47           HN       MET  47  60.358  -3.100  -8.529
  361    HA   MET  47           HA       MET  47  60.836  -3.908 -11.288
  362   1HB   MET  47           HB2      MET  47  61.200  -1.573 -11.610
  363   2HB   MET  47           HB1      MET  47  60.002  -1.666 -10.320
  364   1HG   MET  47           HG2      MET  47  61.804  -1.425  -8.638
  365   2HG   MET  47           HG1      MET  47  62.989  -1.299  -9.937
  366   1HE   MET  47           HE3      MET  47  63.769   0.322 -10.815
  367   2HE   MET  47           HE2      MET  47  62.646   1.112 -11.920
  368   3HE   MET  47           HE1      MET  47  63.403   2.043 -10.630
  369    H    LEU  48           HN       LEU  48  62.917  -2.933  -8.550
  370    HA   LEU  48           HA       LEU  48  65.430  -3.004  -9.840
  371   1HB   LEU  48           HB2      LEU  48  64.471  -3.668  -7.047
  372   2HB   LEU  48           HB1      LEU  48  66.186  -3.618  -7.460
  373    HG   LEU  48           HG       LEU  48  64.266  -1.324  -7.946
  374   1HD1  LEU  48          HD11      LEU  48  64.576  -1.830  -5.518
  375   2HD1  LEU  48          HD13      LEU  48  66.317  -1.660  -5.738
  376   3HD1  LEU  48          HD12      LEU  48  65.258  -0.272  -5.982
  377   1HD2  LEU  48          HD21      LEU  48  67.294  -1.538  -8.004
  378   2HD2  LEU  48          HD23      LEU  48  66.246  -1.368  -9.412
  379   3HD2  LEU  48          HD22      LEU  48  66.376  -0.052  -8.245
  380    H    GLY  49           HN       GLY  49  63.365  -5.638  -8.741
  381   1HA   GLY  49           HA2      GLY  49  63.690  -7.792 -10.008
  382   2HA   GLY  49           HA1      GLY  49  65.421  -7.572  -9.739
  383    H    GLN  50           HN       GLN  50  63.046  -6.820  -7.267
  384    HA   GLN  50           HA       GLN  50  63.954  -9.239  -5.739
  385   1HB   GLN  50           HB2      GLN  50  63.355  -6.451  -4.700
  386   2HB   GLN  50           HB1      GLN  50  64.020  -7.795  -3.771
  387   1HG   GLN  50           HG2      GLN  50  65.602  -7.350  -6.151
  388   2HG   GLN  50           HG1      GLN  50  65.465  -5.856  -5.223
  389   1HE2  GLN  50          HE22      GLN  50  68.039  -7.030  -3.120
  390   2HE2  GLN  50          HE21      GLN  50  67.464  -5.787  -4.124
  391    H    ASN  51           HN       ASN  51  62.364  -9.793  -3.948
  392    HA   ASN  51           HA       ASN  51  59.565  -8.923  -4.516
  393   1HB   ASN  51           HB2      ASN  51  58.926 -11.348  -4.517
  394   2HB   ASN  51           HB1      ASN  51  60.000 -10.928  -5.853
  395   1HD2  ASN  51          HD22      ASN  51  61.306 -14.011  -4.116
  396   2HD2  ASN  51          HD21      ASN  51  59.815 -13.619  -4.826
  397    HA   PRO  52           HA       PRO  52  60.692  -9.452  -0.016
  398   1HB   PRO  52           HB2      PRO  52  60.283  -6.856   0.740
  399   2HB   PRO  52           HB1      PRO  52  61.844  -7.451   0.144
  400   1HG   PRO  52           HG2      PRO  52  59.765  -5.865  -1.261
  401   2HG   PRO  52           HG1      PRO  52  61.527  -5.798  -1.401
  402   1HD   PRO  52           HD2      PRO  52  59.866  -7.042  -3.208
  403   2HD   PRO  52           HD1      PRO  52  61.587  -7.426  -2.989
  404    H    THR  53           HN       THR  53  59.148  -8.316   1.856
  405    HA   THR  53           HA       THR  53  56.329  -8.623   0.871
  406    HB   THR  53           HB       THR  53  55.908  -9.745   3.034
  407    HG1  THR  53           HG1      THR  53  57.268  -9.184   4.524
  408   1HG2  THR  53          HG23      THR  53  58.233 -10.778   1.403
  409   2HG2  THR  53          HG22      THR  53  57.459 -11.726   2.672
  410   3HG2  THR  53          HG21      THR  53  56.532 -11.221   1.259
  411    HA   PRO  54           HA       PRO  54  55.440  -4.801   2.829
  412   1HB   PRO  54           HB2      PRO  54  52.957  -5.249   3.891
  413   2HB   PRO  54           HB1      PRO  54  53.243  -5.055   2.150
  414   1HG   PRO  54           HG2      PRO  54  52.844  -7.541   3.737
  415   2HG   PRO  54           HG1      PRO  54  52.258  -7.128   2.118
  416   1HD   PRO  54           HD2      PRO  54  54.401  -8.751   2.572
  417   2HD   PRO  54           HD1      PRO  54  54.211  -7.764   1.106
  418    H    GLU  55           HN       GLU  55  55.221  -7.727   4.762
  419    HA   GLU  55           HA       GLU  55  55.037  -6.412   7.346
  420   1HB   GLU  55           HB2      GLU  55  54.825  -8.977   6.270
  421   2HB   GLU  55           HB1      GLU  55  56.276  -9.061   7.270
  422   1HG   GLU  55           HG2      GLU  55  54.515  -9.590   8.762
  423   2HG   GLU  55           HG1      GLU  55  54.862  -7.891   9.088
  424    H    GLU  56           HN       GLU  56  57.667  -7.383   5.212
  425    HA   GLU  56           HA       GLU  56  59.732  -6.910   7.271
  426   1HB   GLU  56           HB2      GLU  56  59.429  -8.190   4.670
  427   2HB   GLU  56           HB1      GLU  56  60.891  -7.206   4.736
  428   1HG   GLU  56           HG2      GLU  56  61.627  -9.267   5.584
  429   2HG   GLU  56           HG1      GLU  56  61.267  -8.354   7.050
  430    H    LEU  57           HN       LEU  57  58.516  -5.381   4.295
  431    HA   LEU  57           HA       LEU  57  60.334  -3.380   3.764
  432   1HB   LEU  57           HB2      LEU  57  57.539  -3.898   3.413
  433   2HB   LEU  57           HB1      LEU  57  57.732  -2.196   3.836
  434    HG   LEU  57           HG       LEU  57  59.472  -1.989   2.061
  435   1HD1  LEU  57          HD11      LEU  57  59.156  -4.870   2.078
  436   2HD1  LEU  57          HD13      LEU  57  58.883  -4.228   0.458
  437   3HD1  LEU  57          HD12      LEU  57  60.400  -3.894   1.295
  438   1HD2  LEU  57          HD22      LEU  57  56.621  -2.518   1.679
  439   2HD2  LEU  57          HD21      LEU  57  57.626  -1.249   0.979
  440   3HD2  LEU  57          HD23      LEU  57  57.560  -2.840   0.222
  441    H    GLN  58           HN       GLN  58  57.565  -2.761   5.949
  442    HA   GLN  58           HA       GLN  58  58.634  -0.381   7.097
  443   1HB   GLN  58           HB2      GLN  58  56.260  -1.481   7.077
  444   2HB   GLN  58           HB1      GLN  58  56.811  -2.300   8.539
  445   1HG   GLN  58           HG2      GLN  58  56.702   0.696   8.087
  446   2HG   GLN  58           HG1      GLN  58  55.666  -0.241   9.163
  447   1HE2  GLN  58          HE22      GLN  58  59.000   1.185  10.703
  448   2HE2  GLN  58          HE21      GLN  58  58.157   1.836   9.381
  449    H    GLU  59           HN       GLU  59  58.656  -3.745   8.331
  450    HA   GLU  59           HA       GLU  59  59.981  -3.300  10.781
  451   1HB   GLU  59           HB2      GLU  59  58.962  -5.411   9.470
  452   2HB   GLU  59           HB1      GLU  59  60.671  -5.691   9.133
  453   1HG   GLU  59           HG2      GLU  59  60.940  -6.518  11.206
  454   2HG   GLU  59           HG1      GLU  59  60.432  -4.972  11.886
  455    H    MET  60           HN       MET  60  61.559  -4.471   7.780
  456    HA   MET  60           HA       MET  60  64.228  -4.242   8.539
  457   1HB   MET  60           HB2      MET  60  62.674  -4.536   6.180
  458   2HB   MET  60           HB1      MET  60  63.879  -3.293   5.845
  459   1HG   MET  60           HG2      MET  60  64.707  -5.595   5.339
  460   2HG   MET  60           HG1      MET  60  65.674  -4.776   6.565
  461   1HE   MET  60           HE2      MET  60  63.656  -7.332   5.361
  462   2HE   MET  60           HE1      MET  60  64.791  -8.449   6.115
  463   3HE   MET  60           HE3      MET  60  63.106  -8.396   6.653
  464    H    ILE  61           HN       ILE  61  62.731  -1.726   6.481
  465    HA   ILE  61           HA       ILE  61  64.596   0.295   6.787
  466    HB   ILE  61           HB       ILE  61  61.578   0.314   6.612
  467   1HG1  ILE  61          HG12      ILE  61  63.452   1.296   4.496
  468   2HG1  ILE  61          HG11      ILE  61  63.359  -0.444   4.769
  469   1HG2  ILE  61          HG21      ILE  61  62.437   2.424   7.690
  470   2HG2  ILE  61          HG23      ILE  61  63.415   2.698   6.247
  471   3HG2  ILE  61          HG22      ILE  61  61.655   2.685   6.131
  472   1HD1  ILE  61          HD13      ILE  61  60.841   1.180   4.486
  473   2HD1  ILE  61          HD12      ILE  61  61.717   0.641   3.053
  474   3HD1  ILE  61          HD11      ILE  61  61.085  -0.543   4.197
  475    H    ASP  62           HN       ASP  62  62.291  -0.828   9.187
  476    HA   ASP  62           HA       ASP  62  62.762   1.487  10.963
  477   1HB   ASP  62           HB2      ASP  62  60.576   0.183  10.586
  478   2HB   ASP  62           HB1      ASP  62  61.306  -1.100  11.552
  479    H    GLU  63           HN       GLU  63  64.777  -0.850  10.156
  480    HA   GLU  63           HA       GLU  63  65.704  -1.334  12.964
  481   1HB   GLU  63           HB2      GLU  63  65.035  -3.450  12.327
  482   2HB   GLU  63           HB1      GLU  63  65.219  -3.099  10.611
  483   1HG   GLU  63           HG2      GLU  63  67.409  -3.743  10.574
  484   2HG   GLU  63           HG1      GLU  63  67.723  -3.141  12.202
  485    H    VAL  64           HN       VAL  64  66.716  -1.154   9.530
  486    HA   VAL  64           HA       VAL  64  69.537  -0.876  10.159
  487    HB   VAL  64           HB       VAL  64  68.340  -1.731   8.032
  488   1HG1  VAL  64          HG11      VAL  64  68.234   1.266   7.567
  489   2HG1  VAL  64          HG13      VAL  64  67.947   0.045   6.327
  490   3HG1  VAL  64          HG12      VAL  64  66.849   0.181   7.701
  491   1HG2  VAL  64          HG22      VAL  64  70.855  -0.597   8.482
  492   2HG2  VAL  64          HG21      VAL  64  70.392  -1.591   7.102
  493   3HG2  VAL  64          HG23      VAL  64  70.293   0.167   6.995
  494    H    ASP  65           HN       ASP  65  66.880   1.386   9.519
  495    HA   ASP  65           HA       ASP  65  68.134   3.796   9.025
  496   1HB   ASP  65           HB2      ASP  65  65.663   2.860   9.993
  497   2HB   ASP  65           HB1      ASP  65  66.187   4.069  11.166
  498    H    GLU  66           HN       GLU  66  70.011   4.518   9.981
  499    HA   GLU  66           HA       GLU  66  70.697   3.873  12.749
  500   1HB   GLU  66           HB2      GLU  66  72.076   4.406  10.483
  501   2HB   GLU  66           HB1      GLU  66  72.106   6.005  11.225
  502   1HG   GLU  66           HG2      GLU  66  73.261   5.249  13.121
  503   2HG   GLU  66           HG1      GLU  66  72.789   3.570  12.854
  504    H    ASP  67           HN       ASP  67  69.341   6.638  11.018
  505    HA   ASP  67           HA       ASP  67  69.556   8.405  13.374
  506   1HB   ASP  67           HB2      ASP  67  68.513  10.020  11.812
  507   2HB   ASP  67           HB1      ASP  67  69.880   9.206  11.052
  508    H    GLY  68           HN       GLY  68  67.023   6.687  11.546
  509   1HA   GLY  68           HA2      GLY  68  65.030   5.784  12.549
  510   2HA   GLY  68           HA1      GLY  68  65.278   6.846  13.935
  511    H    SER  69           HN       SER  69  65.512   8.063  10.662
  512    HA   SER  69           HA       SER  69  63.447  10.055  11.192
  513   1HB   SER  69           HB2      SER  69  64.120  10.863   9.000
  514   2HB   SER  69           HB1      SER  69  65.569  10.358   9.864
  515    HG   SER  69           HG       SER  69  65.200   9.598   7.590
  516    H    GLY  70           HN       GLY  70  63.429   6.848  10.005
  517   1HA   GLY  70           HA2      GLY  70  61.462   5.599   9.470
  518   2HA   GLY  70           HA1      GLY  70  60.585   7.116   9.267
  519    H    THR  71           HN       THR  71  62.346   8.404   7.458
  520    HA   THR  71           HA       THR  71  61.656   6.940   4.985
  521    HB   THR  71           HB       THR  71  62.207   9.073   3.943
  522    HG1  THR  71           HG1      THR  71  63.178   9.788   6.509
  523   1HG2  THR  71          HG21      THR  71  60.095   8.763   5.420
  524   2HG2  THR  71          HG23      THR  71  60.925   9.820   6.562
  525   3HG2  THR  71          HG22      THR  71  60.543  10.401   4.941
  526    H    VAL  72           HN       VAL  72  63.275   6.475   3.343
  527    HA   VAL  72           HA       VAL  72  66.037   6.142   4.459
  528    HB   VAL  72           HB       VAL  72  64.837   4.588   2.168
  529   1HG1  VAL  72          HG13      VAL  72  66.994   4.151   4.234
  530   2HG1  VAL  72          HG12      VAL  72  66.347   2.827   3.264
  531   3HG1  VAL  72          HG11      VAL  72  67.157   4.183   2.479
  532   1HG2  VAL  72          HG22      VAL  72  63.230   4.492   4.073
  533   2HG2  VAL  72          HG21      VAL  72  63.995   2.932   3.772
  534   3HG2  VAL  72          HG23      VAL  72  64.536   3.933   5.119
  535    H    ASP  73           HN       ASP  73  67.558   7.404   3.454
  536    HA   ASP  73           HA       ASP  73  66.872   8.680   0.855
  537   1HB   ASP  73           HB2      ASP  73  67.605  10.054   2.765
  538   2HB   ASP  73           HB1      ASP  73  69.101   9.125   2.871
  539    H    PHE  74           HN       PHE  74  70.226   8.284   1.644
  540    HA   PHE  74           HA       PHE  74  70.471   6.190  -0.493
  541   1HB   PHE  74           HB2      PHE  74  71.169   8.759  -0.768
  542   2HB   PHE  74           HB1      PHE  74  72.629   8.192   0.045
  543    HD1  PHE  74           HD1      PHE  74  73.374   5.715  -0.892
  544    HD2  PHE  74           HD2      PHE  74  71.273   8.749  -3.089
  545    HE1  PHE  74           HE1      PHE  74  74.175   4.726  -3.021
  546    HE2  PHE  74           HE2      PHE  74  72.074   7.761  -5.218
  547    HZ   PHE  74           HZ       PHE  74  73.524   5.750  -5.185
  548    H    ASP  75           HN       ASP  75  72.488   7.727   2.052
  549    HA   ASP  75           HA       ASP  75  74.258   5.590   2.509
  550   1HB   ASP  75           HB2      ASP  75  74.645   7.725   3.496
  551   2HB   ASP  75           HB1      ASP  75  73.059   7.739   4.268
  552    H    GLU  76           HN       GLU  76  71.028   6.157   3.897
  553    HA   GLU  76           HA       GLU  76  71.138   3.743   5.563
  554   1HB   GLU  76           HB2      GLU  76  68.798   5.515   4.799
  555   2HB   GLU  76           HB1      GLU  76  68.925   4.478   6.221
  556   1HG   GLU  76           HG2      GLU  76  70.639   5.846   7.179
  557   2HG   GLU  76           HG1      GLU  76  70.850   6.747   5.677
  558    H    PHE  77           HN       PHE  77  69.744   4.722   2.456
  559    HA   PHE  77           HA       PHE  77  68.049   2.448   2.036
  560   1HB   PHE  77           HB2      PHE  77  68.221   4.732   0.839
  561   2HB   PHE  77           HB1      PHE  77  69.531   4.004  -0.090
  562    HD1  PHE  77           HD1      PHE  77  69.103   2.048  -1.556
  563    HD2  PHE  77           HD2      PHE  77  65.923   4.072   0.504
  564    HE1  PHE  77           HE1      PHE  77  67.445   0.946  -3.034
  565    HE2  PHE  77           HE2      PHE  77  64.264   2.969  -0.973
  566    HZ   PHE  77           HZ       PHE  77  65.025   1.406  -2.743
  567    H    LEU  78           HN       LEU  78  71.482   3.039   1.297
  568    HA   LEU  78           HA       LEU  78  71.880   0.597  -0.202
  569   1HB   LEU  78           HB2      LEU  78  73.505   2.761   1.058
  570   2HB   LEU  78           HB1      LEU  78  74.339   1.263   0.646
  571    HG   LEU  78           HG       LEU  78  72.664   2.925  -1.258
  572   1HD1  LEU  78          HD13      LEU  78  75.590   2.738  -0.665
  573   2HD1  LEU  78          HD12      LEU  78  75.097   2.957  -2.344
  574   3HD1  LEU  78          HD11      LEU  78  74.628   4.142  -1.125
  575   1HD2  LEU  78          HD23      LEU  78  73.447   0.174  -1.308
  576   2HD2  LEU  78          HD22      LEU  78  72.624   1.092  -2.569
  577   3HD2  LEU  78          HD21      LEU  78  74.386   1.026  -2.535
  578    H    VAL  79           HN       VAL  79  72.343   1.490   3.219
  579    HA   VAL  79           HA       VAL  79  73.649  -0.852   4.129
  580    HB   VAL  79           HB       VAL  79  71.535   0.830   5.517
  581   1HG1  VAL  79          HG12      VAL  79  72.426  -1.378   6.558
  582   2HG1  VAL  79          HG11      VAL  79  73.937  -0.494   6.771
  583   3HG1  VAL  79          HG13      VAL  79  72.463   0.079   7.551
  584   1HG2  VAL  79          HG21      VAL  79  73.860   1.733   4.330
  585   2HG2  VAL  79          HG23      VAL  79  73.040   2.524   5.677
  586   3HG2  VAL  79          HG22      VAL  79  74.379   1.418   5.986
  587    H    MET  80           HN       MET  80  70.267  -0.295   3.309
  588    HA   MET  80           HA       MET  80  69.191  -2.652   4.594
  589   1HB   MET  80           HB2      MET  80  68.355  -0.421   2.977
  590   2HB   MET  80           HB1      MET  80  67.669  -1.903   2.311
  591   1HG   MET  80           HG2      MET  80  67.501  -1.927   5.200
  592   2HG   MET  80           HG1      MET  80  66.744  -0.472   4.552
  593   1HE   MET  80           HE1      MET  80  65.411  -0.304   2.770
  594   2HE   MET  80           HE3      MET  80  65.225  -1.615   1.597
  595   3HE   MET  80           HE2      MET  80  63.904  -1.213   2.691
  596    H    MET  81           HN       MET  81  70.422  -1.960   1.329
  597    HA   MET  81           HA       MET  81  69.731  -4.494   0.153
  598   1HB   MET  81           HB2      MET  81  71.839  -2.393  -0.436
  599   2HB   MET  81           HB1      MET  81  71.459  -3.727  -1.525
  600   1HG   MET  81           HG2      MET  81  69.519  -1.601  -0.573
  601   2HG   MET  81           HG1      MET  81  70.211  -1.723  -2.190
  602   1HE   MET  81           HE1      MET  81  69.352  -2.641  -3.927
  603   2HE   MET  81           HE3      MET  81  67.887  -3.619  -4.092
  604   3HE   MET  81           HE2      MET  81  67.780  -1.955  -3.524
  605    H    VAL  82           HN       VAL  82  72.958  -3.288   1.154
  606    HA   VAL  82           HA       VAL  82  74.397  -5.684   0.936
  607    HB   VAL  82           HB       VAL  82  75.552  -3.660   1.367
  608   1HG1  VAL  82          HG13      VAL  82  73.332  -3.236   3.212
  609   2HG1  VAL  82          HG12      VAL  82  74.880  -2.795   3.933
  610   3HG1  VAL  82          HG11      VAL  82  74.368  -2.050   2.419
  611   1HG2  VAL  82          HG21      VAL  82  75.864  -5.850   3.115
  612   2HG2  VAL  82          HG23      VAL  82  77.050  -4.590   2.774
  613   3HG2  VAL  82          HG22      VAL  82  75.946  -4.415   4.137
  614    H    ARG  83           HN       ARG  83  72.171  -4.670   3.486
  615    HA   ARG  83           HA       ARG  83  72.850  -6.469   5.549
  616   1HB   ARG  83           HB2      ARG  83  70.536  -4.906   4.623
  617   2HB   ARG  83           HB1      ARG  83  70.094  -6.312   5.591
  618   1HG   ARG  83           HG2      ARG  83  71.977  -5.495   7.201
  619   2HG   ARG  83           HG1      ARG  83  71.797  -3.954   6.362
  620   1HD   ARG  83           HD2      ARG  83  70.049  -3.517   7.744
  621   2HD   ARG  83           HD1      ARG  83  69.164  -4.821   6.924
  622    HE   ARG  83           HE       ARG  83  69.973  -6.376   8.627
  623   1HH1  ARG  83          HH21      ARG  83  71.500  -3.346   8.942
  624   2HH1  ARG  83          HH22      ARG  83  71.583  -3.397  10.671
  625   1HH2  ARG  83          HH11      ARG  83  69.763  -6.338  10.934
  626   2HH2  ARG  83          HH12      ARG  83  70.599  -5.092  11.799
  627    H    CYS  84           HN       CYS  84  70.012  -7.037   3.457
  628    HA   CYS  84           HA       CYS  84  69.750  -9.792   3.940
  629   1HB   CYS  84           HB2      CYS  84  69.018  -7.869   1.771
  630   2HB   CYS  84           HB1      CYS  84  68.792  -9.588   1.448
  631    HG   CYS  84           HG       CYS  84  66.950  -9.692   3.139
  632    H    MET  85           HN       MET  85  71.570  -8.200   1.295
  633    HA   MET  85           HA       MET  85  72.469 -10.333  -0.201
  634   1HB   MET  85           HB2      MET  85  73.875  -7.867   0.843
  635   2HB   MET  85           HB1      MET  85  74.633  -8.938  -0.336
  636   1HG   MET  85           HG2      MET  85  72.361  -8.655  -1.631
  637   2HG   MET  85           HG1      MET  85  72.200  -7.201  -0.645
  638   1HE   MET  85           HE2      MET  85  72.487  -5.426  -1.306
  639   2HE   MET  85           HE1      MET  85  74.057  -4.697  -1.634
  640   3HE   MET  85           HE3      MET  85  72.946  -5.052  -2.964
  641    H    LYS  86           HN       LYS  86  74.945  -9.115   1.979
  642    HA   LYS  86           HA       LYS  86  76.174 -11.655   2.386
  643   1HB   LYS  86           HB2      LYS  86  76.316  -8.893   3.459
  644   2HB   LYS  86           HB1      LYS  86  76.996 -10.147   4.495
  645   1HG   LYS  86           HG2      LYS  86  78.355 -10.961   2.578
  646   2HG   LYS  86           HG1      LYS  86  77.720  -9.642   1.594
  647   1HD   LYS  86           HD2      LYS  86  78.770  -7.988   2.951
  648   2HD   LYS  86           HD1      LYS  86  79.125  -9.155   4.225
  649   1HE   LYS  86           HE2      LYS  86  81.026  -9.869   3.187
  650   2HE   LYS  86           HE1      LYS  86  80.246  -9.887   1.593
  651   1HZ   LYS  86           HZ2      LYS  86  81.087  -7.447   3.068
  652   2HZ   LYS  86           HZ1      LYS  86  81.913  -8.123   1.747
  653   3HZ   LYS  86           HZ3      LYS  86  80.358  -7.482   1.533
  654    H    ASP  87           HN       ASP  87  75.956 -13.180   4.045
  655    HA   ASP  87           HA       ASP  87  73.689 -12.737   5.962
  656   1HB   ASP  87           HB2      ASP  87  73.616 -15.295   5.857
  657   2HB   ASP  87           HB1      ASP  87  73.161 -14.456   4.373
  658    H    ASP  88           HN       ASP  88  74.164 -12.983   8.135
  659    HA   ASP  88           HA       ASP  88  76.825 -14.161   8.862
  660   1HB   ASP  88           HB2      ASP  88  77.037 -11.764   8.927
  661   2HB   ASP  88           HB1      ASP  88  75.488 -11.591   9.754
  662    H    SER  89           HN       SER  89  73.725 -13.010  10.258
  663    HA   SER  89           HA       SER  89  72.427 -13.915  12.017
  664   1HB   SER  89           HB2      SER  89  72.317 -15.610  10.147
  665   2HB   SER  89           HB1      SER  89  73.635 -16.477  10.929
  666    HG   SER  89           HG       SER  89  71.554 -17.258  11.536
   
  No H/Q in entry =         666
  Start of MODEL   16
    1   1H    MET   1           HT2      MET   1  79.609  -2.543  19.383
    2   2H    MET   1           HT1      MET   1  79.521  -1.634  20.815
    3   3H    MET   1           HT3      MET   1  79.547  -0.847  19.312
    4    HA   MET   1           HA       MET   1  81.740  -0.596  19.739
    5   1HB   MET   1           HB2      MET   1  81.197  -2.946  21.566
    6   2HB   MET   1           HB1      MET   1  82.818  -2.281  21.360
    7   1HG   MET   1           HG2      MET   1  81.621   0.014  21.850
    8   2HG   MET   1           HG1      MET   1  80.394  -1.011  22.595
    9   1HE   MET   1           HE2      MET   1  81.850   1.186  23.957
   10   2HE   MET   1           HE1      MET   1  83.175   0.790  25.048
   11   3HE   MET   1           HE3      MET   1  83.481   1.004  23.318
   12    H    ASP   2           HN       ASP   2  80.983  -1.690  17.385
   13    HA   ASP   2           HA       ASP   2  83.225  -3.472  16.732
   14   1HB   ASP   2           HB2      ASP   2  80.425  -4.377  17.133
   15   2HB   ASP   2           HB1      ASP   2  81.225  -4.996  15.688
   16    H    ASP   3           HN       ASP   3  82.271  -4.373  14.252
   17    HA   ASP   3           HA       ASP   3  80.954  -2.316  12.710
   18   1HB   ASP   3           HB2      ASP   3  83.117  -1.627  11.520
   19   2HB   ASP   3           HB1      ASP   3  82.919  -1.024  13.165
   20    H    ILE   4           HN       ILE   4  80.001  -3.707  11.267
   21    HA   ILE   4           HA       ILE   4  81.769  -5.603   9.775
   22    HB   ILE   4           HB       ILE   4  79.035  -6.260  10.909
   23   1HG1  ILE   4          HG12      ILE   4  81.798  -6.934  11.975
   24   2HG1  ILE   4          HG11      ILE   4  80.621  -5.870  12.747
   25   1HG2  ILE   4          HG22      ILE   4  80.903  -7.565   9.096
   26   2HG2  ILE   4          HG21      ILE   4  80.560  -8.569  10.504
   27   3HG2  ILE   4          HG23      ILE   4  79.239  -7.998   9.485
   28   1HD1  ILE   4          HD12      ILE   4  79.027  -7.785  12.873
   29   2HD1  ILE   4          HD11      ILE   4  80.277  -8.833  12.205
   30   3HD1  ILE   4          HD13      ILE   4  80.509  -8.079  13.782
   31    H    TYR   5           HN       TYR   5  78.579  -4.015   9.975
   32    HA   TYR   5           HA       TYR   5  78.020  -4.498   7.129
   33   1HB   TYR   5           HB2      TYR   5  76.688  -3.163   9.476
   34   2HB   TYR   5           HB1      TYR   5  76.057  -2.911   7.848
   35    HD1  TYR   5           HD2      TYR   5  75.602  -5.017   6.414
   36    HD2  TYR   5           HD1      TYR   5  76.122  -5.107  10.677
   37    HE1  TYR   5           HE2      TYR   5  74.472  -7.222   6.505
   38    HE2  TYR   5           HE1      TYR   5  74.991  -7.313  10.768
   39    HH   TYR   5           HH       TYR   5  73.838  -8.836   9.611
   40    H    LYS   6           HN       LYS   6  79.125  -1.818   9.174
   41    HA   LYS   6           HA       LYS   6  78.839   0.313   7.300
   42   1HB   LYS   6           HB2      LYS   6  80.409   1.439   8.776
   43   2HB   LYS   6           HB1      LYS   6  79.367   0.418   9.768
   44   1HG   LYS   6           HG2      LYS   6  81.132  -0.771  10.497
   45   2HG   LYS   6           HG1      LYS   6  81.647  -1.099   8.842
   46   1HD   LYS   6           HD2      LYS   6  82.535   1.349   8.875
   47   2HD   LYS   6           HD1      LYS   6  82.414   1.201  10.629
   48   1HE   LYS   6           HE2      LYS   6  84.434   0.172  10.597
   49   2HE   LYS   6           HE1      LYS   6  83.664  -1.180   9.742
   50   1HZ   LYS   6           HZ2      LYS   6  84.327   1.260   8.249
   51   2HZ   LYS   6           HZ1      LYS   6  85.574   0.162   8.603
   52   3HZ   LYS   6           HZ3      LYS   6  84.231  -0.346   7.701
   53    H    ALA   7           HN       ALA   7  80.935  -2.411   7.293
   54    HA   ALA   7           HA       ALA   7  82.960  -1.108   5.555
   55   1HB   ALA   7           HB1      ALA   7  82.659  -3.891   6.732
   56   2HB   ALA   7           HB3      ALA   7  84.066  -3.336   5.824
   57   3HB   ALA   7           HB2      ALA   7  83.667  -2.594   7.373
   58    H    ALA   8           HN       ALA   8  80.258  -3.358   5.397
   59    HA   ALA   8           HA       ALA   8  80.810  -4.490   2.811
   60   1HB   ALA   8           HB2      ALA   8  79.148  -5.107   4.746
   61   2HB   ALA   8           HB1      ALA   8  78.054  -3.997   3.922
   62   3HB   ALA   8           HB3      ALA   8  78.668  -5.419   3.079
   63    H    VAL   9           HN       VAL   9  79.335  -1.467   3.849
   64    HA   VAL   9           HA       VAL   9  78.124  -0.831   1.276
   65    HB   VAL   9           HB       VAL   9  78.838   0.758   3.759
   66   1HG1  VAL   9          HG12      VAL   9  77.552   1.551   1.166
   67   2HG1  VAL   9          HG11      VAL   9  76.996   2.300   2.662
   68   3HG1  VAL   9          HG13      VAL   9  78.683   2.456   2.172
   69   1HG2  VAL   9          HG22      VAL   9  77.090  -1.077   3.895
   70   2HG2  VAL   9          HG21      VAL   9  76.498   0.534   4.299
   71   3HG2  VAL   9          HG23      VAL   9  76.144  -0.164   2.719
   72    H    GLU  10           HN       GLU  10  81.165   0.049   2.925
   73    HA   GLU  10           HA       GLU  10  82.060   1.966   1.000
   74   1HB   GLU  10           HB2      GLU  10  83.015   1.875   3.192
   75   2HB   GLU  10           HB1      GLU  10  83.393   0.160   3.028
   76   1HG   GLU  10           HG2      GLU  10  85.217   0.548   1.663
   77   2HG   GLU  10           HG1      GLU  10  84.563   2.064   1.045
   78    H    GLN  11           HN       GLN  11  82.338  -1.562   1.175
   79    HA   GLN  11           HA       GLN  11  84.297  -1.854  -0.927
   80   1HB   GLN  11           HB2      GLN  11  82.408  -3.511   0.657
   81   2HB   GLN  11           HB1      GLN  11  82.916  -4.196  -0.887
   82   1HG   GLN  11           HG2      GLN  11  84.576  -4.963   0.582
   83   2HG   GLN  11           HG1      GLN  11  85.317  -3.525  -0.120
   84   1HE2  GLN  11          HE22      GLN  11  85.265  -1.683   2.919
   85   2HE2  GLN  11          HE21      GLN  11  85.502  -1.605   1.240
   86    H    LEU  12           HN       LEU  12  81.007  -0.940  -0.983
   87    HA   LEU  12           HA       LEU  12  80.038  -2.150  -3.366
   88   1HB   LEU  12           HB2      LEU  12  79.551   0.481  -1.956
   89   2HB   LEU  12           HB1      LEU  12  78.621  -0.001  -3.376
   90    HG   LEU  12           HG       LEU  12  78.910  -1.768  -0.939
   91   1HD1  LEU  12          HD12      LEU  12  76.707   0.203  -1.623
   92   2HD1  LEU  12          HD11      LEU  12  76.633  -0.986  -0.324
   93   3HD1  LEU  12          HD13      LEU  12  77.815   0.320  -0.258
   94   1HD2  LEU  12          HD22      LEU  12  77.241  -1.758  -3.449
   95   2HD2  LEU  12          HD21      LEU  12  78.201  -3.071  -2.768
   96   3HD2  LEU  12          HD23      LEU  12  76.680  -2.604  -2.008
   97    H    THR  13           HN       THR  13  80.982  -2.027  -5.360
   98    HA   THR  13           HA       THR  13  83.032  -0.251  -6.153
   99    HB   THR  13           HB       THR  13  82.100  -0.951  -8.494
  100    HG1  THR  13           HG1      THR  13  80.448  -2.316  -8.471
  101   1HG2  THR  13          HG22      THR  13  83.201  -2.657  -6.306
  102   2HG2  THR  13          HG21      THR  13  82.671  -3.459  -7.785
  103   3HG2  THR  13          HG23      THR  13  83.919  -2.216  -7.855
  104    H    GLU  14           HN       GLU  14  82.996   1.732  -7.293
  105    HA   GLU  14           HA       GLU  14  80.928   3.595  -6.752
  106   1HB   GLU  14           HB2      GLU  14  83.471   3.639  -7.707
  107   2HB   GLU  14           HB1      GLU  14  82.578   3.956  -9.195
  108   1HG   GLU  14           HG2      GLU  14  81.283   5.720  -7.841
  109   2HG   GLU  14           HG1      GLU  14  82.553   5.550  -6.630
  110    H    GLU  15           HN       GLU  15  81.485   1.544  -9.613
  111    HA   GLU  15           HA       GLU  15  79.400   2.705 -11.234
  112   1HB   GLU  15           HB2      GLU  15  79.789   0.707 -12.600
  113   2HB   GLU  15           HB1      GLU  15  81.333   1.329 -12.018
  114   1HG   GLU  15           HG2      GLU  15  81.289  -0.316 -10.167
  115   2HG   GLU  15           HG1      GLU  15  79.764  -0.953 -10.784
  116    H    GLN  16           HN       GLN  16  79.398   0.391  -8.620
  117    HA   GLN  16           HA       GLN  16  76.822  -0.820  -9.257
  118   1HB   GLN  16           HB2      GLN  16  78.564  -1.952  -7.951
  119   2HB   GLN  16           HB1      GLN  16  78.505  -0.676  -6.734
  120   1HG   GLN  16           HG2      GLN  16  77.162  -2.417  -5.840
  121   2HG   GLN  16           HG1      GLN  16  76.007  -1.257  -6.499
  122   1HE2  GLN  16          HE22      GLN  16  75.020  -4.624  -7.759
  123   2HE2  GLN  16          HE21      GLN  16  75.136  -3.890  -6.232
  124    H    LYS  17           HN       LYS  17  77.804   1.254  -6.496
  125    HA   LYS  17           HA       LYS  17  75.185   1.936  -5.650
  126   1HB   LYS  17           HB2      LYS  17  76.392   3.823  -4.536
  127   2HB   LYS  17           HB1      LYS  17  77.230   2.283  -4.342
  128   1HG   LYS  17           HG2      LYS  17  78.403   3.078  -6.613
  129   2HG   LYS  17           HG1      LYS  17  77.995   4.667  -5.965
  130   1HD   LYS  17           HD2      LYS  17  79.017   3.180  -3.791
  131   2HD   LYS  17           HD1      LYS  17  80.103   2.871  -5.147
  132   1HE   LYS  17           HE2      LYS  17  81.046   4.852  -4.412
  133   2HE   LYS  17           HE1      LYS  17  79.774   5.550  -5.434
  134   1HZ   LYS  17           HZ2      LYS  17  78.382   5.053  -3.244
  135   2HZ   LYS  17           HZ1      LYS  17  79.899   5.323  -2.529
  136   3HZ   LYS  17           HZ3      LYS  17  79.191   6.527  -3.490
  137    H    ASN  18           HN       ASN  18  77.195   3.268  -8.220
  138    HA   ASN  18           HA       ASN  18  75.855   5.738  -8.668
  139   1HB   ASN  18           HB2      ASN  18  77.603   3.836 -10.123
  140   2HB   ASN  18           HB1      ASN  18  76.660   4.919 -11.147
  141   1HD2  ASN  18          HD22      ASN  18  79.951   6.440  -9.723
  142   2HD2  ASN  18          HD21      ASN  18  79.664   4.831 -10.183
  143    H    GLU  19           HN       GLU  19  75.234   2.492 -10.051
  144    HA   GLU  19           HA       GLU  19  73.080   3.188 -11.756
  145   1HB   GLU  19           HB2      GLU  19  74.463   0.927 -10.981
  146   2HB   GLU  19           HB1      GLU  19  72.852   0.621 -10.330
  147   1HG   GLU  19           HG2      GLU  19  72.004   1.373 -12.669
  148   2HG   GLU  19           HG1      GLU  19  73.663   1.084 -13.194
  149    H    PHE  20           HN       PHE  20  73.066   2.239  -8.311
  150    HA   PHE  20           HA       PHE  20  70.216   2.331  -7.961
  151   1HB   PHE  20           HB2      PHE  20  72.639   2.564  -6.167
  152   2HB   PHE  20           HB1      PHE  20  71.002   2.636  -5.513
  153    HD1  PHE  20           HD1      PHE  20  69.427   0.703  -5.887
  154    HD2  PHE  20           HD2      PHE  20  73.606   0.496  -6.863
  155    HE1  PHE  20           HE1      PHE  20  69.287  -1.772  -5.960
  156    HE2  PHE  20           HE2      PHE  20  73.466  -1.980  -6.936
  157    HZ   PHE  20           HZ       PHE  20  71.306  -3.113  -6.484
  158    H    LYS  21           HN       LYS  21  72.643   4.801  -8.218
  159    HA   LYS  21           HA       LYS  21  71.425   6.924  -6.749
  160   1HB   LYS  21           HB2      LYS  21  73.746   6.753  -7.787
  161   2HB   LYS  21           HB1      LYS  21  72.989   7.113  -9.340
  162   1HG   LYS  21           HG2      LYS  21  71.929   9.100  -7.825
  163   2HG   LYS  21           HG1      LYS  21  73.488   8.895  -7.023
  164   1HD   LYS  21           HD2      LYS  21  73.362   9.049 -10.023
  165   2HD   LYS  21           HD1      LYS  21  73.309  10.530  -9.067
  166   1HE   LYS  21           HE2      LYS  21  75.463  10.163  -8.157
  167   2HE   LYS  21           HE1      LYS  21  75.448   8.443  -8.595
  168   1HZ   LYS  21           HZ3      LYS  21  75.049   9.458 -10.970
  169   2HZ   LYS  21           HZ2      LYS  21  75.862  10.791 -10.300
  170   3HZ   LYS  21           HZ1      LYS  21  76.617   9.270 -10.354
  171    H    ALA  22           HN       ALA  22  71.307   6.326 -10.288
  172    HA   ALA  22           HA       ALA  22  69.298   8.245 -10.887
  173   1HB   ALA  22           HB3      ALA  22  70.516   5.821 -12.099
  174   2HB   ALA  22           HB2      ALA  22  68.950   6.298 -12.757
  175   3HB   ALA  22           HB1      ALA  22  70.300   7.431 -12.787
  176    H    ALA  23           HN       ALA  23  69.047   4.828  -9.924
  177    HA   ALA  23           HA       ALA  23  66.176   4.644 -10.224
  178   1HB   ALA  23           HB1      ALA  23  68.328   2.964  -9.775
  179   2HB   ALA  23           HB3      ALA  23  67.486   2.927  -8.226
  180   3HB   ALA  23           HB2      ALA  23  66.635   2.476  -9.703
  181    H    PHE  24           HN       PHE  24  68.340   5.437  -7.510
  182    HA   PHE  24           HA       PHE  24  66.485   5.421  -5.379
  183   1HB   PHE  24           HB2      PHE  24  68.831   5.704  -4.986
  184   2HB   PHE  24           HB1      PHE  24  68.906   7.116  -6.040
  185    HD1  PHE  24           HD1      PHE  24  67.860   9.265  -5.341
  186    HD2  PHE  24           HD2      PHE  24  68.071   5.879  -2.706
  187    HE1  PHE  24           HE1      PHE  24  67.364  10.737  -3.408
  188    HE2  PHE  24           HE2      PHE  24  67.576   7.352  -0.773
  189    HZ   PHE  24           HZ       PHE  24  67.222   9.781  -1.124
  190    H    ASP  25           HN       ASP  25  67.103   7.896  -7.848
  191    HA   ASP  25           HA       ASP  25  65.421   9.935  -6.669
  192   1HB   ASP  25           HB2      ASP  25  67.151   9.521  -8.916
  193   2HB   ASP  25           HB1      ASP  25  65.626  10.178  -9.511
  194    H    ILE  26           HN       ILE  26  64.760   7.064  -8.506
  195    HA   ILE  26           HA       ILE  26  62.163   7.990  -9.523
  196    HB   ILE  26           HB       ILE  26  63.365   5.215  -9.412
  197   1HG1  ILE  26          HG12      ILE  26  63.923   7.594 -11.174
  198   2HG1  ILE  26          HG11      ILE  26  65.060   6.451 -10.463
  199   1HG2  ILE  26          HG23      ILE  26  61.368   6.548 -11.265
  200   2HG2  ILE  26          HG22      ILE  26  61.977   4.903 -11.443
  201   3HG2  ILE  26          HG21      ILE  26  60.993   5.332 -10.045
  202   1HD1  ILE  26          HD13      ILE  26  64.114   4.674 -11.966
  203   2HD1  ILE  26          HD12      ILE  26  63.148   5.925 -12.750
  204   3HD1  ILE  26          HD11      ILE  26  64.909   5.986 -12.835
  205    H    PHE  27           HN       PHE  27  63.401   6.202  -6.753
  206    HA   PHE  27           HA       PHE  27  60.796   5.105  -5.992
  207   1HB   PHE  27           HB2      PHE  27  63.277   5.421  -4.288
  208   2HB   PHE  27           HB1      PHE  27  62.045   4.164  -4.189
  209    HD1  PHE  27           HD2      PHE  27  61.725   3.570  -7.125
  210    HD2  PHE  27           HD1      PHE  27  65.238   4.141  -4.719
  211    HE1  PHE  27           HE2      PHE  27  63.032   2.168  -8.701
  212    HE2  PHE  27           HE1      PHE  27  66.545   2.742  -6.295
  213    HZ   PHE  27           HZ       PHE  27  65.442   1.756  -8.286
  214    H    VAL  28           HN       VAL  28  62.304   8.153  -5.723
  215    HA   VAL  28           HA       VAL  28  60.797   8.890  -3.262
  216    HB   VAL  28           HB       VAL  28  62.268  10.915  -3.461
  217   1HG1  VAL  28          HG11      VAL  28  62.907   8.390  -2.598
  218   2HG1  VAL  28          HG13      VAL  28  64.219   8.728  -3.728
  219   3HG1  VAL  28          HG12      VAL  28  63.924   9.811  -2.368
  220   1HG2  VAL  28          HG21      VAL  28  62.473  10.096  -6.108
  221   2HG2  VAL  28          HG23      VAL  28  63.453  11.342  -5.337
  222   3HG2  VAL  28          HG22      VAL  28  64.045   9.683  -5.424
  223    H    LEU  29           HN       LEU  29  59.957   8.641  -6.351
  224    HA   LEU  29           HA       LEU  29  59.207  11.175  -7.334
  225   1HB   LEU  29           HB2      LEU  29  58.067   8.387  -7.521
  226   2HB   LEU  29           HB1      LEU  29  57.309   9.731  -8.378
  227    HG   LEU  29           HG       LEU  29  60.271   9.233  -8.620
  228   1HD1  LEU  29          HD11      LEU  29  58.889   7.149  -9.187
  229   2HD1  LEU  29          HD13      LEU  29  58.195   8.096 -10.503
  230   3HD1  LEU  29          HD12      LEU  29  59.928   7.768 -10.470
  231   1HD2  LEU  29          HD22      LEU  29  58.150  10.824  -9.993
  232   2HD2  LEU  29          HD21      LEU  29  59.829  11.248  -9.652
  233   3HD2  LEU  29          HD23      LEU  29  59.446  10.173 -10.997
  234    H    GLY  30           HN       GLY  30  58.541  12.398  -5.385
  235   1HA   GLY  30           HA2      GLY  30  56.176  13.292  -4.898
  236   2HA   GLY  30           HA1      GLY  30  55.826  11.641  -4.389
  237    H    ALA  31           HN       ALA  31  58.967  12.146  -3.538
  238    HA   ALA  31           HA       ALA  31  58.374  12.305  -0.714
  239   1HB   ALA  31           HB2      ALA  31  60.772  12.294  -2.509
  240   2HB   ALA  31           HB1      ALA  31  60.996  12.761  -0.823
  241   3HB   ALA  31           HB3      ALA  31  60.340  11.173  -1.218
  242    H    GLU  32           HN       GLU  32  59.157  14.070   0.723
  243    HA   GLU  32           HA       GLU  32  58.364  16.693  -0.248
  244   1HB   GLU  32           HB2      GLU  32  58.778  17.328   2.057
  245   2HB   GLU  32           HB1      GLU  32  58.042  15.725   2.062
  246   1HG   GLU  32           HG2      GLU  32  60.113  14.653   2.504
  247   2HG   GLU  32           HG1      GLU  32  61.041  16.090   2.073
  248    H    ASP  33           HN       ASP  33  61.418  15.011   0.187
  249    HA   ASP  33           HA       ASP  33  62.835  17.449  -0.837
  250   1HB   ASP  33           HB2      ASP  33  64.630  16.949   0.731
  251   2HB   ASP  33           HB1      ASP  33  63.111  17.024   1.625
  252    H    GLY  34           HN       GLY  34  62.685  13.915  -0.636
  253   1HA   GLY  34           HA2      GLY  34  63.210  13.021  -3.059
  254   2HA   GLY  34           HA1      GLY  34  64.800  13.702  -2.717
  255    H    CYS  35           HN       CYS  35  62.668  12.065  -0.409
  256    HA   CYS  35           HA       CYS  35  64.844  10.061   0.042
  257   1HB   CYS  35           HB2      CYS  35  62.582  11.185   1.713
  258   2HB   CYS  35           HB1      CYS  35  63.542   9.801   2.233
  259    HG   CYS  35           HG       CYS  35  65.452  11.306   2.754
  260    H    ILE  36           HN       ILE  36  64.092   7.819   0.529
  261    HA   ILE  36           HA       ILE  36  61.691   7.125  -1.119
  262    HB   ILE  36           HB       ILE  36  63.663   5.080  -0.182
  263   1HG1  ILE  36          HG12      ILE  36  64.295   7.139  -2.325
  264   2HG1  ILE  36          HG11      ILE  36  65.136   6.967  -0.785
  265   1HG2  ILE  36          HG22      ILE  36  62.171   5.689  -2.746
  266   2HG2  ILE  36          HG21      ILE  36  63.348   4.384  -2.603
  267   3HG2  ILE  36          HG23      ILE  36  61.881   4.359  -1.624
  268   1HD1  ILE  36          HD12      ILE  36  65.041   4.410  -2.100
  269   2HD1  ILE  36          HD11      ILE  36  65.686   5.613  -3.217
  270   3HD1  ILE  36          HD13      ILE  36  66.455   5.364  -1.649
  271    H    SER  37           HN       SER  37  60.012   7.231   0.416
  272    HA   SER  37           HA       SER  37  60.146   6.427   3.140
  273   1HB   SER  37           HB2      SER  37  57.643   6.026   1.566
  274   2HB   SER  37           HB1      SER  37  57.888   6.898   3.077
  275    HG   SER  37           HG       SER  37  57.587   8.439   1.544
  276    H    THR  38           HN       THR  38  59.214   4.456   4.119
  277    HA   THR  38           HA       THR  38  60.155   2.023   2.890
  278    HB   THR  38           HB       THR  38  59.302   1.023   4.906
  279    HG1  THR  38           HG1      THR  38  57.595   1.782   5.927
  280   1HG2  THR  38          HG21      THR  38  60.741   3.508   4.940
  281   2HG2  THR  38          HG23      THR  38  59.714   3.416   6.371
  282   3HG2  THR  38          HG22      THR  38  60.885   2.138   6.041
  283    H    LYS  39           HN       LYS  39  56.934   3.501   3.228
  284    HA   LYS  39           HA       LYS  39  55.410   1.300   2.199
  285   1HB   LYS  39           HB2      LYS  39  54.841   3.608   3.403
  286   2HB   LYS  39           HB1      LYS  39  54.636   4.159   1.739
  287   1HG   LYS  39           HG2      LYS  39  53.136   2.126   1.386
  288   2HG   LYS  39           HG1      LYS  39  53.172   1.910   3.136
  289   1HD   LYS  39           HD2      LYS  39  52.621   4.654   2.664
  290   2HD   LYS  39           HD1      LYS  39  51.569   3.730   1.591
  291   1HE   LYS  39           HE2      LYS  39  51.777   2.645   4.339
  292   2HE   LYS  39           HE1      LYS  39  50.970   4.220   4.210
  293   1HZ   LYS  39           HZ3      LYS  39  49.887   3.095   2.135
  294   2HZ   LYS  39           HZ2      LYS  39  50.251   1.658   2.966
  295   3HZ   LYS  39           HZ1      LYS  39  49.247   2.826   3.683
  296    H    GLU  40           HN       GLU  40  57.259   3.858   0.638
  297    HA   GLU  40           HA       GLU  40  56.150   3.197  -2.032
  298   1HB   GLU  40           HB2      GLU  40  57.085   5.477  -0.770
  299   2HB   GLU  40           HB1      GLU  40  58.433   5.035  -1.819
  300   1HG   GLU  40           HG2      GLU  40  56.997   5.017  -3.766
  301   2HG   GLU  40           HG1      GLU  40  55.562   5.244  -2.765
  302    H    LEU  41           HN       LEU  41  58.120   1.493  -0.231
  303    HA   LEU  41           HA       LEU  41  60.334   1.198  -2.214
  304   1HB   LEU  41           HB2      LEU  41  59.987   1.005   0.664
  305   2HB   LEU  41           HB1      LEU  41  60.728  -0.462   0.025
  306    HG   LEU  41           HG       LEU  41  61.696   2.384  -0.363
  307   1HD1  LEU  41          HD11      LEU  41  62.245   1.281   1.803
  308   2HD1  LEU  41          HD13      LEU  41  62.997  -0.042   0.912
  309   3HD1  LEU  41          HD12      LEU  41  63.679   1.583   0.822
  310   1HD2  LEU  41          HD21      LEU  41  61.984   0.082  -2.061
  311   2HD2  LEU  41          HD23      LEU  41  62.679   1.689  -2.266
  312   3HD2  LEU  41          HD22      LEU  41  63.549   0.463  -1.346
  313    H    GLY  42           HN       GLY  42  57.583  -0.483  -0.795
  314   1HA   GLY  42           HA2      GLY  42  58.173  -3.146  -1.526
  315   2HA   GLY  42           HA1      GLY  42  56.538  -2.487  -1.435
  316    H    LYS  43           HN       LYS  43  56.279  -0.760  -3.424
  317    HA   LYS  43           HA       LYS  43  56.070  -2.318  -5.794
  318   1HB   LYS  43           HB2      LYS  43  55.538  -0.147  -6.816
  319   2HB   LYS  43           HB1      LYS  43  54.810  -0.244  -5.213
  320   1HG   LYS  43           HG2      LYS  43  56.404   1.200  -4.261
  321   2HG   LYS  43           HG1      LYS  43  57.551   0.950  -5.577
  322   1HD   LYS  43           HD2      LYS  43  55.133   1.969  -6.706
  323   2HD   LYS  43           HD1      LYS  43  55.570   2.993  -5.337
  324   1HE   LYS  43           HE2      LYS  43  58.004   2.503  -6.650
  325   2HE   LYS  43           HE1      LYS  43  56.836   2.816  -7.948
  326   1HZ   LYS  43           HZ2      LYS  43  56.721   4.467  -5.528
  327   2HZ   LYS  43           HZ1      LYS  43  57.948   4.791  -6.658
  328   3HZ   LYS  43           HZ3      LYS  43  56.322   4.870  -7.129
  329    H    VAL  44           HN       VAL  44  58.740  -0.498  -4.466
  330    HA   VAL  44           HA       VAL  44  60.249  -0.313  -6.966
  331    HB   VAL  44           HB       VAL  44  60.900   0.073  -4.029
  332   1HG1  VAL  44          HG12      VAL  44  62.836  -0.535  -5.686
  333   2HG1  VAL  44          HG11      VAL  44  62.584   1.098  -6.300
  334   3HG1  VAL  44          HG13      VAL  44  63.032   0.850  -4.613
  335   1HG2  VAL  44          HG22      VAL  44  60.130   1.882  -6.319
  336   2HG2  VAL  44          HG21      VAL  44  59.407   1.774  -4.713
  337   3HG2  VAL  44          HG23      VAL  44  60.998   2.508  -4.917
  338    H    MET  45           HN       MET  45  60.632  -2.213  -3.942
  339    HA   MET  45           HA       MET  45  62.829  -3.779  -4.532
  340   1HB   MET  45           HB2      MET  45  60.162  -4.488  -3.281
  341   2HB   MET  45           HB1      MET  45  61.562  -5.559  -3.217
  342   1HG   MET  45           HG2      MET  45  61.852  -2.693  -2.366
  343   2HG   MET  45           HG1      MET  45  61.146  -3.864  -1.253
  344   1HE   MET  45           HE1      MET  45  63.861  -2.123  -2.489
  345   2HE   MET  45           HE3      MET  45  64.188  -2.269  -0.756
  346   3HE   MET  45           HE2      MET  45  65.344  -2.894  -1.930
  347    H    ARG  46           HN       ARG  46  59.534  -4.186  -5.816
  348    HA   ARG  46           HA       ARG  46  59.923  -6.669  -7.167
  349   1HB   ARG  46           HB2      ARG  46  58.198  -4.249  -7.792
  350   2HB   ARG  46           HB1      ARG  46  57.975  -5.844  -8.509
  351   1HG   ARG  46           HG2      ARG  46  58.104  -6.399  -5.800
  352   2HG   ARG  46           HG1      ARG  46  57.213  -4.877  -5.850
  353   1HD   ARG  46           HD2      ARG  46  55.457  -5.792  -7.101
  354   2HD   ARG  46           HD1      ARG  46  56.470  -7.097  -7.749
  355    HE   ARG  46           HE       ARG  46  56.536  -7.976  -5.346
  356   1HH1  ARG  46          HH21      ARG  46  55.062  -5.795  -4.007
  357   2HH1  ARG  46          HH22      ARG  46  53.439  -6.399  -3.958
  358   1HH2  ARG  46          HH11      ARG  46  53.986  -8.828  -6.370
  359   2HH2  ARG  46          HH12      ARG  46  52.830  -8.114  -5.297
  360    H    MET  47           HN       MET  47  60.501  -3.304  -8.197
  361    HA   MET  47           HA       MET  47  61.253  -3.890 -10.907
  362   1HB   MET  47           HB2      MET  47  61.939  -1.659  -8.966
  363   2HB   MET  47           HB1      MET  47  62.331  -1.609 -10.684
  364   1HG   MET  47           HG2      MET  47  60.041  -1.609 -11.317
  365   2HG   MET  47           HG1      MET  47  59.517  -2.106  -9.708
  366   1HE   MET  47           HE3      MET  47  61.268   0.572 -11.822
  367   2HE   MET  47           HE2      MET  47  61.443   1.943 -10.731
  368   3HE   MET  47           HE1      MET  47  62.365   0.470 -10.437
  369    H    LEU  48           HN       LEU  48  63.400  -2.932  -8.198
  370    HA   LEU  48           HA       LEU  48  65.872  -3.572  -9.313
  371   1HB   LEU  48           HB2      LEU  48  64.778  -3.871  -6.502
  372   2HB   LEU  48           HB1      LEU  48  66.494  -4.020  -6.880
  373    HG   LEU  48           HG       LEU  48  64.728  -1.596  -7.297
  374   1HD1  LEU  48          HD13      LEU  48  66.157  -2.407  -5.096
  375   2HD1  LEU  48          HD12      LEU  48  67.334  -1.395  -5.933
  376   3HD1  LEU  48          HD11      LEU  48  65.767  -0.728  -5.470
  377   1HD2  LEU  48          HD21      LEU  48  67.403  -2.352  -8.432
  378   2HD2  LEU  48          HD23      LEU  48  66.069  -1.493  -9.202
  379   3HD2  LEU  48          HD22      LEU  48  67.091  -0.663  -8.030
  380    H    GLY  49           HN       GLY  49  64.380  -5.797  -6.945
  381   1HA   GLY  49           HA2      GLY  49  64.087  -8.107  -8.443
  382   2HA   GLY  49           HA1      GLY  49  65.811  -8.065  -8.075
  383    H    GLN  50           HN       GLN  50  63.183  -6.918  -5.984
  384    HA   GLN  50           HA       GLN  50  63.925  -9.084  -4.041
  385   1HB   GLN  50           HB2      GLN  50  63.406  -6.126  -3.743
  386   2HB   GLN  50           HB1      GLN  50  63.240  -7.212  -2.364
  387   1HG   GLN  50           HG2      GLN  50  65.483  -6.470  -2.246
  388   2HG   GLN  50           HG1      GLN  50  65.594  -8.066  -2.987
  389   1HE2  GLN  50          HE22      GLN  50  67.650  -6.123  -5.256
  390   2HE2  GLN  50          HE21      GLN  50  67.742  -6.961  -3.782
  391    H    ASN  51           HN       ASN  51  62.051  -9.239  -2.308
  392    HA   ASN  51           HA       ASN  51  59.364  -8.724  -3.464
  393   1HB   ASN  51           HB2      ASN  51  60.667 -11.058  -4.016
  394   2HB   ASN  51           HB1      ASN  51  59.825 -11.498  -2.529
  395   1HD2  ASN  51          HD21      ASN  51  57.376 -10.652  -2.561
  396   2HD2  ASN  51          HD22      ASN  51  56.544 -10.929  -4.016
  397    HA   PRO  52           HA       PRO  52  59.846  -8.761   1.225
  398   1HB   PRO  52           HB2      PRO  52  59.748  -6.065   1.669
  399   2HB   PRO  52           HB1      PRO  52  61.266  -6.944   1.401
  400   1HG   PRO  52           HG2      PRO  52  59.706  -5.247  -0.470
  401   2HG   PRO  52           HG1      PRO  52  61.458  -5.445  -0.314
  402   1HD   PRO  52           HD2      PRO  52  59.922  -6.636  -2.263
  403   2HD   PRO  52           HD1      PRO  52  61.501  -7.238  -1.716
  404    H    THR  53           HN       THR  53  58.084  -8.167   2.716
  405    HA   THR  53           HA       THR  53  55.504  -7.737   1.284
  406    HB   THR  53           HB       THR  53  54.938  -8.411   3.888
  407    HG1  THR  53           HG1      THR  53  56.488  -9.854   4.543
  408   1HG2  THR  53          HG21      THR  53  55.634 -10.250   1.583
  409   2HG2  THR  53          HG23      THR  53  54.727 -10.731   3.016
  410   3HG2  THR  53          HG22      THR  53  54.055  -9.535   1.908
  411    HA   PRO  54           HA       PRO  54  54.726  -3.838   3.146
  412   1HB   PRO  54           HB2      PRO  54  52.224  -4.076   4.237
  413   2HB   PRO  54           HB1      PRO  54  52.513  -3.979   2.488
  414   1HG   PRO  54           HG2      PRO  54  51.976  -6.364   4.190
  415   2HG   PRO  54           HG1      PRO  54  51.393  -5.985   2.561
  416   1HD   PRO  54           HD2      PRO  54  53.428  -7.722   3.042
  417   2HD   PRO  54           HD1      PRO  54  53.302  -6.759   1.552
  418    H    GLU  55           HN       GLU  55  54.387  -6.644   5.222
  419    HA   GLU  55           HA       GLU  55  54.387  -5.095   7.720
  420   1HB   GLU  55           HB2      GLU  55  53.210  -7.176   7.684
  421   2HB   GLU  55           HB1      GLU  55  54.574  -8.015   6.945
  422   1HG   GLU  55           HG2      GLU  55  55.311  -6.721   9.456
  423   2HG   GLU  55           HG1      GLU  55  54.015  -7.897   9.671
  424    H    GLU  56           HN       GLU  56  56.707  -7.064   5.858
  425    HA   GLU  56           HA       GLU  56  58.879  -6.728   7.767
  426   1HB   GLU  56           HB2      GLU  56  58.265  -8.109   5.300
  427   2HB   GLU  56           HB1      GLU  56  59.856  -7.356   5.190
  428   1HG   GLU  56           HG2      GLU  56  60.636  -8.489   7.143
  429   2HG   GLU  56           HG1      GLU  56  59.007  -9.007   7.576
  430    H    LEU  57           HN       LEU  57  57.952  -5.191   4.691
  431    HA   LEU  57           HA       LEU  57  60.093  -3.607   4.023
  432   1HB   LEU  57           HB2      LEU  57  57.137  -3.309   4.039
  433   2HB   LEU  57           HB1      LEU  57  58.058  -1.830   3.761
  434    HG   LEU  57           HG       LEU  57  58.618  -4.382   2.241
  435   1HD1  LEU  57          HD11      LEU  57  56.385  -2.505   1.981
  436   2HD1  LEU  57          HD13      LEU  57  57.331  -2.646   0.500
  437   3HD1  LEU  57          HD12      LEU  57  56.616  -4.084   1.230
  438   1HD2  LEU  57          HD23      LEU  57  59.485  -1.522   2.147
  439   2HD2  LEU  57          HD22      LEU  57  60.423  -2.987   1.860
  440   3HD2  LEU  57          HD21      LEU  57  59.333  -2.380   0.614
  441    H    GLN  58           HN       GLN  58  57.557  -2.266   6.171
  442    HA   GLN  58           HA       GLN  58  59.029  -0.072   7.143
  443   1HB   GLN  58           HB2      GLN  58  56.549  -0.825   7.411
  444   2HB   GLN  58           HB1      GLN  58  57.124  -1.686   8.839
  445   1HG   GLN  58           HG2      GLN  58  57.338   1.289   8.302
  446   2HG   GLN  58           HG1      GLN  58  56.358   0.502   9.541
  447   1HE2  GLN  58          HE22      GLN  58  60.154   1.427  10.397
  448   2HE2  GLN  58          HE21      GLN  58  59.324   2.037   9.047
  449    H    GLU  59           HN       GLU  59  58.948  -3.427   8.323
  450    HA   GLU  59           HA       GLU  59  60.557  -2.959  10.675
  451   1HB   GLU  59           HB2      GLU  59  59.053  -4.877  10.372
  452   2HB   GLU  59           HB1      GLU  59  60.010  -5.431   8.998
  453   1HG   GLU  59           HG2      GLU  59  61.837  -6.031  10.349
  454   2HG   GLU  59           HG1      GLU  59  61.302  -5.012  11.686
  455    H    MET  60           HN       MET  60  61.414  -4.654   7.625
  456    HA   MET  60           HA       MET  60  64.151  -4.948   7.975
  457   1HB   MET  60           HB2      MET  60  62.402  -5.390   5.996
  458   2HB   MET  60           HB1      MET  60  63.159  -3.938   5.343
  459   1HG   MET  60           HG2      MET  60  65.142  -4.991   4.951
  460   2HG   MET  60           HG1      MET  60  65.039  -5.946   6.431
  461   1HE   MET  60           HE3      MET  60  64.962  -7.854   6.601
  462   2HE   MET  60           HE2      MET  60  63.753  -8.978   5.988
  463   3HE   MET  60           HE1      MET  60  65.329  -8.875   5.205
  464    H    ILE  61           HN       ILE  61  62.510  -2.045   6.658
  465    HA   ILE  61           HA       ILE  61  64.950  -0.503   6.404
  466    HB   ILE  61           HB       ILE  61  61.985   0.089   6.442
  467   1HG1  ILE  61          HG12      ILE  61  63.554   0.793   4.086
  468   2HG1  ILE  61          HG11      ILE  61  63.736  -0.911   4.507
  469   1HG2  ILE  61          HG22      ILE  61  64.322   1.993   6.182
  470   2HG2  ILE  61          HG21      ILE  61  62.718   2.373   5.552
  471   3HG2  ILE  61          HG23      ILE  61  62.947   2.108   7.281
  472   1HD1  ILE  61          HD13      ILE  61  60.992   0.292   4.535
  473   2HD1  ILE  61          HD12      ILE  61  61.722  -0.119   2.983
  474   3HD1  ILE  61          HD11      ILE  61  61.480  -1.370   4.204
  475    H    ASP  62           HN       ASP  62  62.709  -1.136   9.014
  476    HA   ASP  62           HA       ASP  62  63.423   1.152  10.653
  477   1HB   ASP  62           HB2      ASP  62  61.322   0.073  10.998
  478   2HB   ASP  62           HB1      ASP  62  62.073  -1.519  11.096
  479    H    GLU  63           HN       GLU  63  65.224  -1.494   9.705
  480    HA   GLU  63           HA       GLU  63  66.637  -1.820  12.302
  481   1HB   GLU  63           HB2      GLU  63  66.713  -3.218   9.613
  482   2HB   GLU  63           HB1      GLU  63  67.793  -3.637  10.943
  483   1HG   GLU  63           HG2      GLU  63  65.253  -3.548  12.112
  484   2HG   GLU  63           HG1      GLU  63  64.997  -4.343  10.558
  485    H    VAL  64           HN       VAL  64  67.358  -0.964   8.893
  486    HA   VAL  64           HA       VAL  64  70.098  -0.159   9.579
  487    HB   VAL  64           HB       VAL  64  69.329  -1.249   7.430
  488   1HG1  VAL  64          HG13      VAL  64  67.906   1.392   7.225
  489   2HG1  VAL  64          HG12      VAL  64  68.457   0.580   5.762
  490   3HG1  VAL  64          HG11      VAL  64  67.315  -0.224   6.839
  491   1HG2  VAL  64          HG23      VAL  64  71.442   0.192   7.746
  492   2HG2  VAL  64          HG22      VAL  64  70.887  -0.059   6.090
  493   3HG2  VAL  64          HG21      VAL  64  70.552   1.465   6.912
  494    H    ASP  65           HN       ASP  65  66.971   1.358   9.310
  495    HA   ASP  65           HA       ASP  65  67.992   4.083   8.983
  496   1HB   ASP  65           HB2      ASP  65  65.784   3.279   8.169
  497   2HB   ASP  65           HB1      ASP  65  65.288   2.994   9.838
  498    H    GLU  66           HN       GLU  66  69.248   4.778  10.720
  499    HA   GLU  66           HA       GLU  66  68.239   4.262  13.487
  500   1HB   GLU  66           HB2      GLU  66  70.585   4.910  14.079
  501   2HB   GLU  66           HB1      GLU  66  70.519   3.549  12.959
  502   1HG   GLU  66           HG2      GLU  66  71.430   4.745  11.243
  503   2HG   GLU  66           HG1      GLU  66  70.581   6.224  11.692
  504    H    ASP  67           HN       ASP  67  67.830   6.567  11.204
  505    HA   ASP  67           HA       ASP  67  68.388   8.945  12.866
  506   1HB   ASP  67           HB2      ASP  67  66.930   8.745  10.220
  507   2HB   ASP  67           HB1      ASP  67  67.811  10.130  10.863
  508    H    GLY  68           HN       GLY  68  65.838   6.710  12.491
  509   1HA   GLY  68           HA2      GLY  68  63.644   6.701  13.328
  510   2HA   GLY  68           HA1      GLY  68  64.116   8.085  14.316
  511    H    SER  69           HN       SER  69  64.373   8.115  10.818
  512    HA   SER  69           HA       SER  69  62.485  10.403  10.737
  513   1HB   SER  69           HB2      SER  69  63.499  10.740   8.530
  514   2HB   SER  69           HB1      SER  69  64.767  10.465   9.722
  515    HG   SER  69           HG       SER  69  65.119   8.497   8.913
  516    H    GLY  70           HN       GLY  70  62.846   7.110   9.462
  517   1HA   GLY  70           HA2      GLY  70  60.964   5.700   8.917
  518   2HA   GLY  70           HA1      GLY  70  59.967   7.146   8.751
  519    H    THR  71           HN       THR  71  62.915   7.671   7.244
  520    HA   THR  71           HA       THR  71  61.823   6.770   4.598
  521    HB   THR  71           HB       THR  71  63.162   8.952   3.896
  522    HG1  THR  71           HG1      THR  71  62.287   9.853   6.374
  523   1HG2  THR  71          HG23      THR  71  60.443   8.376   4.655
  524   2HG2  THR  71          HG22      THR  71  60.833  10.046   5.069
  525   3HG2  THR  71          HG21      THR  71  61.032   9.478   3.411
  526    H    VAL  72           HN       VAL  72  63.386   5.992   3.117
  527    HA   VAL  72           HA       VAL  72  65.983   5.205   4.321
  528    HB   VAL  72           HB       VAL  72  64.884   4.507   1.592
  529   1HG1  VAL  72          HG12      VAL  72  67.255   3.888   2.685
  530   2HG1  VAL  72          HG11      VAL  72  66.288   2.595   3.394
  531   3HG1  VAL  72          HG13      VAL  72  66.382   2.763   1.642
  532   1HG2  VAL  72          HG23      VAL  72  64.130   3.363   4.295
  533   2HG2  VAL  72          HG22      VAL  72  63.049   4.053   3.084
  534   3HG2  VAL  72          HG21      VAL  72  63.848   2.511   2.776
  535    H    ASP  73           HN       ASP  73  67.565   6.759   4.078
  536    HA   ASP  73           HA       ASP  73  67.568   8.548   1.727
  537   1HB   ASP  73           HB2      ASP  73  69.436   8.276   4.106
  538   2HB   ASP  73           HB1      ASP  73  69.390   9.633   2.980
  539    H    PHE  74           HN       PHE  74  69.574   8.772   0.422
  540    HA   PHE  74           HA       PHE  74  70.482   6.513  -0.879
  541   1HB   PHE  74           HB2      PHE  74  70.929   9.028  -1.255
  542   2HB   PHE  74           HB1      PHE  74  72.303   8.820  -0.168
  543    HD1  PHE  74           HD1      PHE  74  70.776   6.823  -2.963
  544    HD2  PHE  74           HD2      PHE  74  74.324   8.568  -1.286
  545    HE1  PHE  74           HE1      PHE  74  72.116   5.892  -4.829
  546    HE2  PHE  74           HE2      PHE  74  75.664   7.637  -3.153
  547    HZ   PHE  74           HZ       PHE  74  74.560   6.299  -4.925
  548    H    ASP  75           HN       ASP  75  71.679   7.801   2.201
  549    HA   ASP  75           HA       ASP  75  73.962   6.038   2.420
  550   1HB   ASP  75           HB2      ASP  75  73.389   8.266   3.601
  551   2HB   ASP  75           HB1      ASP  75  72.391   7.290   4.679
  552    H    GLU  76           HN       GLU  76  70.773   5.996   4.073
  553    HA   GLU  76           HA       GLU  76  71.170   3.364   5.214
  554   1HB   GLU  76           HB2      GLU  76  68.712   5.074   4.706
  555   2HB   GLU  76           HB1      GLU  76  68.738   3.646   5.742
  556   1HG   GLU  76           HG2      GLU  76  70.136   4.670   7.331
  557   2HG   GLU  76           HG1      GLU  76  70.688   5.896   6.190
  558    H    PHE  77           HN       PHE  77  69.629   4.582   2.261
  559    HA   PHE  77           HA       PHE  77  68.178   2.313   1.439
  560   1HB   PHE  77           HB2      PHE  77  68.210   4.567   0.384
  561   2HB   PHE  77           HB1      PHE  77  69.830   4.237  -0.230
  562    HD1  PHE  77           HD1      PHE  77  66.269   3.205  -0.409
  563    HD2  PHE  77           HD2      PHE  77  70.185   2.814  -2.131
  564    HE1  PHE  77           HE1      PHE  77  65.291   2.044  -2.370
  565    HE2  PHE  77           HE2      PHE  77  69.207   1.653  -4.092
  566    HZ   PHE  77           HZ       PHE  77  66.760   1.267  -4.211
  567    H    LEU  78           HN       LEU  78  71.640   3.052   0.897
  568    HA   LEU  78           HA       LEU  78  72.179   0.651  -0.619
  569   1HB   LEU  78           HB2      LEU  78  73.661   2.876   0.695
  570   2HB   LEU  78           HB1      LEU  78  74.582   1.409   0.370
  571    HG   LEU  78           HG       LEU  78  73.021   3.050  -1.646
  572   1HD1  LEU  78          HD11      LEU  78  75.805   2.950  -0.763
  573   2HD1  LEU  78          HD13      LEU  78  75.649   2.663  -2.496
  574   3HD1  LEU  78          HD12      LEU  78  74.997   4.140  -1.785
  575   1HD2  LEU  78          HD21      LEU  78  73.943   0.253  -1.655
  576   2HD2  LEU  78          HD23      LEU  78  72.776   1.053  -2.707
  577   3HD2  LEU  78          HD22      LEU  78  74.502   1.187  -3.042
  578    H    VAL  79           HN       VAL  79  72.986   1.536   2.767
  579    HA   VAL  79           HA       VAL  79  74.143  -0.836   3.650
  580    HB   VAL  79           HB       VAL  79  72.127   0.957   5.045
  581   1HG1  VAL  79          HG13      VAL  79  74.218  -0.936   6.164
  582   2HG1  VAL  79          HG12      VAL  79  73.247   0.185   7.119
  583   3HG1  VAL  79          HG11      VAL  79  72.471  -1.147   6.264
  584   1HG2  VAL  79          HG23      VAL  79  74.789   1.402   4.071
  585   2HG2  VAL  79          HG22      VAL  79  73.757   2.511   4.975
  586   3HG2  VAL  79          HG21      VAL  79  74.831   1.408   5.835
  587    H    MET  80           HN       MET  80  70.709  -0.190   3.066
  588    HA   MET  80           HA       MET  80  69.683  -2.571   4.324
  589   1HB   MET  80           HB2      MET  80  68.778  -0.280   2.865
  590   2HB   MET  80           HB1      MET  80  68.061  -1.715   2.133
  591   1HG   MET  80           HG2      MET  80  67.136  -2.425   4.239
  592   2HG   MET  80           HG1      MET  80  68.039  -1.189   5.114
  593   1HE   MET  80           HE2      MET  80  66.144  -1.787   2.098
  594   2HE   MET  80           HE1      MET  80  64.528  -1.525   2.749
  595   3HE   MET  80           HE3      MET  80  65.278  -0.301   1.715
  596    H    MET  81           HN       MET  81  70.601  -1.828   0.946
  597    HA   MET  81           HA       MET  81  69.845  -4.393  -0.126
  598   1HB   MET  81           HB2      MET  81  71.312  -1.954  -0.917
  599   2HB   MET  81           HB1      MET  81  71.820  -3.415  -1.763
  600   1HG   MET  81           HG2      MET  81  69.947  -3.411  -3.012
  601   2HG   MET  81           HG1      MET  81  68.938  -3.338  -1.567
  602   1HE   MET  81           HE2      MET  81  67.873  -2.360  -3.870
  603   2HE   MET  81           HE1      MET  81  67.015  -1.533  -2.570
  604   3HE   MET  81           HE3      MET  81  67.603  -0.621  -3.967
  605    H    VAL  82           HN       VAL  82  73.035  -3.067   0.842
  606    HA   VAL  82           HA       VAL  82  74.628  -5.327   0.309
  607    HB   VAL  82           HB       VAL  82  75.514  -3.157   0.956
  608   1HG1  VAL  82          HG13      VAL  82  74.013  -3.695   3.526
  609   2HG1  VAL  82          HG12      VAL  82  75.281  -2.475   3.406
  610   3HG1  VAL  82          HG11      VAL  82  73.821  -2.330   2.426
  611   1HG2  VAL  82          HG22      VAL  82  76.497  -5.534   1.845
  612   2HG2  VAL  82          HG21      VAL  82  77.309  -3.989   2.101
  613   3HG2  VAL  82          HG23      VAL  82  76.303  -4.678   3.375
  614    H    ARG  83           HN       ARG  83  72.181  -4.893   2.729
  615    HA   ARG  83           HA       ARG  83  73.166  -7.043   4.486
  616   1HB   ARG  83           HB2      ARG  83  70.812  -5.171   4.341
  617   2HB   ARG  83           HB1      ARG  83  70.774  -6.540   5.453
  618   1HG   ARG  83           HG2      ARG  83  73.034  -5.748   6.315
  619   2HG   ARG  83           HG1      ARG  83  72.773  -4.270   5.388
  620   1HD   ARG  83           HD2      ARG  83  71.787  -3.575   7.355
  621   2HD   ARG  83           HD1      ARG  83  70.387  -4.446   6.698
  622    HE   ARG  83           HE       ARG  83  72.212  -6.223   8.094
  623   1HH1  ARG  83          HH21      ARG  83  69.801  -3.796   8.542
  624   2HH1  ARG  83          HH22      ARG  83  69.167  -4.506   9.987
  625   1HH2  ARG  83          HH11      ARG  83  71.334  -7.214   9.931
  626   2HH2  ARG  83          HH12      ARG  83  70.032  -6.442  10.773
  627    H    CYS  84           HN       CYS  84  70.583  -6.565   2.079
  628    HA   CYS  84           HA       CYS  84  69.434  -9.212   2.440
  629   1HB   CYS  84           HB2      CYS  84  69.164  -6.863   0.608
  630   2HB   CYS  84           HB1      CYS  84  68.490  -8.404   0.073
  631    HG   CYS  84           HG       CYS  84  67.504  -6.771   2.523
  632    H    MET  85           HN       MET  85  72.292  -8.142   0.953
  633    HA   MET  85           HA       MET  85  72.339 -10.576  -0.804
  634   1HB   MET  85           HB2      MET  85  73.512  -9.288  -2.418
  635   2HB   MET  85           HB1      MET  85  72.259  -8.199  -1.824
  636   1HG   MET  85           HG2      MET  85  73.843  -7.118  -0.323
  637   2HG   MET  85           HG1      MET  85  75.100  -8.274  -0.764
  638   1HE   MET  85           HE1      MET  85  72.639  -5.765  -1.726
  639   2HE   MET  85           HE3      MET  85  73.974  -4.613  -1.581
  640   3HE   MET  85           HE2      MET  85  73.228  -4.910  -3.150
  641    H    LYS  86           HN       LYS  86  73.558  -9.277   2.000
  642    HA   LYS  86           HA       LYS  86  76.309  -9.497   2.072
  643   1HB   LYS  86           HB2      LYS  86  74.041  -9.969   3.874
  644   2HB   LYS  86           HB1      LYS  86  75.479 -10.885   4.331
  645   1HG   LYS  86           HG2      LYS  86  76.359  -8.287   3.600
  646   2HG   LYS  86           HG1      LYS  86  74.970  -8.077   4.666
  647   1HD   LYS  86           HD2      LYS  86  76.350  -8.486   6.398
  648   2HD   LYS  86           HD1      LYS  86  76.455 -10.152   5.827
  649   1HE   LYS  86           HE2      LYS  86  78.534  -9.838   4.885
  650   2HE   LYS  86           HE1      LYS  86  78.194  -8.151   4.452
  651   1HZ   LYS  86           HZ1      LYS  86  78.176  -7.656   6.874
  652   2HZ   LYS  86           HZ3      LYS  86  78.739  -9.228   7.165
  653   3HZ   LYS  86           HZ2      LYS  86  79.697  -8.134   6.287
  654    H    ASP  87           HN       ASP  87  73.987 -12.130   1.700
  655    HA   ASP  87           HA       ASP  87  75.720 -14.341   2.212
  656   1HB   ASP  87           HB2      ASP  87  73.397 -14.057   0.276
  657   2HB   ASP  87           HB1      ASP  87  74.010 -15.574   0.936
  658    H    ASP  88           HN       ASP  88  76.849 -15.696   0.657
  659    HA   ASP  88           HA       ASP  88  77.302 -14.571  -2.056
  660   1HB   ASP  88           HB2      ASP  88  78.891 -13.554  -0.349
  661   2HB   ASP  88           HB1      ASP  88  79.559 -15.171  -0.124
  662    H    SER  89           HN       SER  89  75.997 -16.752  -2.172
  663    HA   SER  89           HA       SER  89  77.863 -18.843  -2.997
  664   1HB   SER  89           HB2      SER  89  76.889 -18.721  -0.299
  665   2HB   SER  89           HB1      SER  89  76.188 -20.134  -1.082
  666    HG   SER  89           HG       SER  89  78.285 -20.488  -0.122
   
  No H/Q in entry =         666
  Start of MODEL   17
    1   1H    MET   1           HT1      MET   1  78.314  -0.848  17.719
    2   2H    MET   1           HT3      MET   1  78.016  -0.218  19.265
    3   3H    MET   1           HT2      MET   1  77.453  -1.769  18.859
    4    HA   MET   1           HA       MET   1  75.539  -0.477  18.675
    5   1HB   MET   1           HB2      MET   1  77.628   1.502  17.881
    6   2HB   MET   1           HB1      MET   1  76.001   1.757  17.247
    7   1HG   MET   1           HG2      MET   1  75.071   1.728  19.498
    8   2HG   MET   1           HG1      MET   1  76.650   1.335  20.178
    9   1HE   MET   1           HE2      MET   1  74.427   3.386  20.571
   10   2HE   MET   1           HE1      MET   1  75.081   5.011  20.763
   11   3HE   MET   1           HE3      MET   1  74.334   4.528  19.233
   12    H    ASP   2           HN       ASP   2  76.988  -2.421  16.895
   13    HA   ASP   2           HA       ASP   2  76.772  -3.321  14.716
   14   1HB   ASP   2           HB2      ASP   2  74.222  -1.936  15.448
   15   2HB   ASP   2           HB1      ASP   2  74.385  -2.548  13.802
   16    H    ASP   3           HN       ASP   3  78.484  -2.098  13.703
   17    HA   ASP   3           HA       ASP   3  77.494   0.121  11.948
   18   1HB   ASP   3           HB2      ASP   3  79.447   0.130  14.101
   19   2HB   ASP   3           HB1      ASP   3  80.186   0.632  12.580
   20    H    ILE   4           HN       ILE   4  78.493  -2.922  11.866
   21    HA   ILE   4           HA       ILE   4  80.751  -2.813  10.017
   22    HB   ILE   4           HB       ILE   4  80.396  -5.238   9.972
   23   1HG1  ILE   4          HG12      ILE   4  77.923  -4.885  11.652
   24   2HG1  ILE   4          HG11      ILE   4  77.807  -4.841   9.893
   25   1HG2  ILE   4          HG23      ILE   4  80.423  -3.670  12.463
   26   2HG2  ILE   4          HG22      ILE   4  79.886  -5.336  12.678
   27   3HG2  ILE   4          HG21      ILE   4  81.463  -5.003  11.963
   28   1HD1  ILE   4          HD13      ILE   4  79.100  -7.044   9.888
   29   2HD1  ILE   4          HD12      ILE   4  78.808  -7.106  11.627
   30   3HD1  ILE   4          HD11      ILE   4  77.449  -7.121  10.503
   31    H    TYR   5           HN       TYR   5  77.283  -2.679   9.734
   32    HA   TYR   5           HA       TYR   5  77.065  -3.642   7.011
   33   1HB   TYR   5           HB2      TYR   5  75.363  -1.935   8.846
   34   2HB   TYR   5           HB1      TYR   5  74.831  -2.413   7.233
   35    HD1  TYR   5           HD2      TYR   5  75.965  -3.738  10.526
   36    HD2  TYR   5           HD1      TYR   5  73.999  -4.596   6.804
   37    HE1  TYR   5           HE2      TYR   5  75.259  -5.946  11.407
   38    HE2  TYR   5           HE1      TYR   5  73.293  -6.803   7.686
   39    HH   TYR   5           HH       TYR   5  72.884  -7.803  10.025
   40    H    LYS   6           HN       LYS   6  77.152  -0.356   8.436
   41    HA   LYS   6           HA       LYS   6  76.921   1.194   6.114
   42   1HB   LYS   6           HB2      LYS   6  78.698   1.566   8.547
   43   2HB   LYS   6           HB1      LYS   6  78.237   2.853   7.432
   44   1HG   LYS   6           HG2      LYS   6  75.791   2.054   7.951
   45   2HG   LYS   6           HG1      LYS   6  76.526   1.347   9.391
   46   1HD   LYS   6           HD2      LYS   6  75.688   3.653   9.806
   47   2HD   LYS   6           HD1      LYS   6  77.432   3.528  10.036
   48   1HE   LYS   6           HE2      LYS   6  77.901   4.632   7.991
   49   2HE   LYS   6           HE1      LYS   6  76.257   4.370   7.378
   50   1HZ   LYS   6           HZ2      LYS   6  76.841   5.919   9.839
   51   2HZ   LYS   6           HZ1      LYS   6  76.685   6.645   8.311
   52   3HZ   LYS   6           HZ3      LYS   6  75.368   5.825   8.997
   53    H    ALA   7           HN       ALA   7  79.930  -0.143   7.528
   54    HA   ALA   7           HA       ALA   7  81.678   0.816   5.461
   55   1HB   ALA   7           HB3      ALA   7  82.329   0.054   7.742
   56   2HB   ALA   7           HB2      ALA   7  81.898  -1.596   7.293
   57   3HB   ALA   7           HB1      ALA   7  83.240  -0.785   6.487
   58    H    ALA   8           HN       ALA   8  79.446  -1.841   5.601
   59    HA   ALA   8           HA       ALA   8  80.688  -3.531   3.603
   60   1HB   ALA   8           HB1      ALA   8  78.424  -3.485   5.340
   61   2HB   ALA   8           HB3      ALA   8  77.829  -3.789   3.708
   62   3HB   ALA   8           HB2      ALA   8  79.045  -4.852   4.416
   63    H    VAL   9           HN       VAL   9  78.037  -1.123   3.479
   64    HA   VAL   9           HA       VAL   9  77.350  -1.320   0.757
   65    HB   VAL   9           HB       VAL   9  77.562   1.090   2.592
   66   1HG1  VAL   9          HG11      VAL   9  76.098   0.677  -0.029
   67   2HG1  VAL   9          HG13      VAL   9  75.756   2.004   1.081
   68   3HG1  VAL   9          HG12      VAL   9  77.342   1.878   0.321
   69   1HG2  VAL   9          HG22      VAL   9  75.668  -1.166   2.285
   70   2HG2  VAL   9          HG21      VAL   9  75.987  -0.148   3.689
   71   3HG2  VAL   9          HG23      VAL   9  74.921   0.427   2.407
   72    H    GLU  10           HN       GLU  10  80.241  -0.029   2.224
   73    HA   GLU  10           HA       GLU  10  81.083   1.539  -0.095
   74   1HB   GLU  10           HB2      GLU  10  81.852   2.248   2.029
   75   2HB   GLU  10           HB1      GLU  10  82.267   0.605   2.520
   76   1HG   GLU  10           HG2      GLU  10  84.325   1.764   2.019
   77   2HG   GLU  10           HG1      GLU  10  84.035   0.599   0.726
   78    H    GLN  11           HN       GLN  11  81.210  -1.783   0.846
   79    HA   GLN  11           HA       GLN  11  83.603  -2.560  -0.588
   80   1HB   GLN  11           HB2      GLN  11  81.145  -4.180   0.150
   81   2HB   GLN  11           HB1      GLN  11  82.775  -4.798  -0.121
   82   1HG   GLN  11           HG2      GLN  11  81.824  -3.026   2.140
   83   2HG   GLN  11           HG1      GLN  11  82.505  -4.649   2.254
   84   1HE2  GLN  11          HE22      GLN  11  85.068  -1.772   2.753
   85   2HE2  GLN  11          HE21      GLN  11  83.443  -1.825   3.241
   86    H    LEU  12           HN       LEU  12  80.366  -1.800  -1.568
   87    HA   LEU  12           HA       LEU  12  80.227  -3.415  -3.956
   88   1HB   LEU  12           HB2      LEU  12  78.927  -0.754  -3.294
   89   2HB   LEU  12           HB1      LEU  12  78.345  -1.938  -4.464
   90    HG   LEU  12           HG       LEU  12  78.577  -2.338  -1.467
   91   1HD1  LEU  12          HD12      LEU  12  76.451  -1.460  -3.273
   92   2HD1  LEU  12          HD11      LEU  12  75.983  -2.867  -2.316
   93   3HD1  LEU  12          HD13      LEU  12  76.523  -1.393  -1.512
   94   1HD2  LEU  12          HD22      LEU  12  78.293  -4.209  -3.745
   95   2HD2  LEU  12          HD21      LEU  12  78.878  -4.510  -2.109
   96   3HD2  LEU  12          HD23      LEU  12  77.145  -4.454  -2.428
   97    H    THR  13           HN       THR  13  80.649  -2.761  -6.140
   98    HA   THR  13           HA       THR  13  82.962  -1.083  -6.536
   99    HB   THR  13           HB       THR  13  82.056  -1.427  -9.003
  100    HG1  THR  13           HG1      THR  13  80.136  -2.258  -8.923
  101   1HG2  THR  13          HG21      THR  13  83.949  -2.634  -7.821
  102   2HG2  THR  13          HG23      THR  13  82.767  -3.852  -7.340
  103   3HG2  THR  13          HG22      THR  13  83.110  -3.583  -9.048
  104    H    GLU  14           HN       GLU  14  83.067   1.056  -7.296
  105    HA   GLU  14           HA       GLU  14  81.178   2.978  -6.652
  106   1HB   GLU  14           HB2      GLU  14  83.592   2.775  -8.088
  107   2HB   GLU  14           HB1      GLU  14  82.474   3.596  -9.177
  108   1HG   GLU  14           HG2      GLU  14  82.529   5.485  -7.947
  109   2HG   GLU  14           HG1      GLU  14  82.233   4.595  -6.454
  110    H    GLU  15           HN       GLU  15  81.406   1.190  -9.735
  111    HA   GLU  15           HA       GLU  15  79.246   2.505 -11.073
  112   1HB   GLU  15           HB2      GLU  15  79.410   0.581 -12.572
  113   2HB   GLU  15           HB1      GLU  15  81.033   1.045 -12.059
  114   1HG   GLU  15           HG2      GLU  15  81.232  -1.169 -11.550
  115   2HG   GLU  15           HG1      GLU  15  80.371  -0.703 -10.082
  116    H    GLN  16           HN       GLN  16  79.222   0.401  -8.385
  117    HA   GLN  16           HA       GLN  16  76.620  -0.843  -8.923
  118   1HB   GLN  16           HB2      GLN  16  78.554  -1.805  -7.589
  119   2HB   GLN  16           HB1      GLN  16  78.183  -0.620  -6.335
  120   1HG   GLN  16           HG2      GLN  16  77.014  -2.591  -5.691
  121   2HG   GLN  16           HG1      GLN  16  75.788  -1.538  -6.397
  122   1HE2  GLN  16          HE22      GLN  16  74.927  -4.392  -8.341
  123   2HE2  GLN  16          HE21      GLN  16  74.462  -3.396  -7.047
  124    H    LYS  17           HN       LYS  17  77.646   1.168  -6.142
  125    HA   LYS  17           HA       LYS  17  75.066   1.995  -5.358
  126   1HB   LYS  17           HB2      LYS  17  76.385   3.908  -4.315
  127   2HB   LYS  17           HB1      LYS  17  76.998   2.295  -3.953
  128   1HG   LYS  17           HG2      LYS  17  78.274   2.983  -6.338
  129   2HG   LYS  17           HG1      LYS  17  78.286   4.475  -5.397
  130   1HD   LYS  17           HD2      LYS  17  79.042   1.874  -4.090
  131   2HD   LYS  17           HD1      LYS  17  80.227   2.751  -5.059
  132   1HE   LYS  17           HE2      LYS  17  79.731   4.804  -3.661
  133   2HE   LYS  17           HE1      LYS  17  78.763   3.763  -2.600
  134   1HZ   LYS  17           HZ1      LYS  17  80.788   2.248  -2.602
  135   2HZ   LYS  17           HZ3      LYS  17  81.652   3.572  -3.217
  136   3HZ   LYS  17           HZ2      LYS  17  80.905   3.679  -1.695
  137    H    ASN  18           HN       ASN  18  77.151   3.224  -7.916
  138    HA   ASN  18           HA       ASN  18  75.869   5.745  -8.367
  139   1HB   ASN  18           HB2      ASN  18  77.742   3.900  -9.676
  140   2HB   ASN  18           HB1      ASN  18  76.785   4.839 -10.822
  141   1HD2  ASN  18          HD22      ASN  18  79.835   6.809  -9.768
  142   2HD2  ASN  18          HD21      ASN  18  79.633   5.250 -10.408
  143    H    GLU  19           HN       GLU  19  75.271   2.505  -9.756
  144    HA   GLU  19           HA       GLU  19  73.255   3.181 -11.618
  145   1HB   GLU  19           HB2      GLU  19  74.184   0.994 -11.611
  146   2HB   GLU  19           HB1      GLU  19  73.847   0.771  -9.894
  147   1HG   GLU  19           HG2      GLU  19  71.543   0.464 -10.259
  148   2HG   GLU  19           HG1      GLU  19  71.602   1.218 -11.851
  149    H    PHE  20           HN       PHE  20  72.961   2.388  -8.145
  150    HA   PHE  20           HA       PHE  20  70.107   2.534  -7.995
  151   1HB   PHE  20           HB2      PHE  20  72.354   2.989  -6.012
  152   2HB   PHE  20           HB1      PHE  20  70.655   2.916  -5.540
  153    HD1  PHE  20           HD1      PHE  20  69.624   0.834  -7.377
  154    HD2  PHE  20           HD2      PHE  20  73.287   0.999  -5.139
  155    HE1  PHE  20           HE1      PHE  20  69.730  -1.644  -7.369
  156    HE2  PHE  20           HE2      PHE  20  73.393  -1.479  -5.130
  157    HZ   PHE  20           HZ       PHE  20  71.615  -2.799  -6.244
  158    H    LYS  21           HN       LYS  21  72.640   5.011  -7.749
  159    HA   LYS  21           HA       LYS  21  71.293   7.200  -6.697
  160   1HB   LYS  21           HB2      LYS  21  73.673   6.899  -7.703
  161   2HB   LYS  21           HB1      LYS  21  72.930   7.381  -9.228
  162   1HG   LYS  21           HG2      LYS  21  71.983   9.393  -7.906
  163   2HG   LYS  21           HG1      LYS  21  73.182   8.977  -6.681
  164   1HD   LYS  21           HD2      LYS  21  74.649  10.205  -7.883
  165   2HD   LYS  21           HD1      LYS  21  74.622   8.893  -9.061
  166   1HE   LYS  21           HE2      LYS  21  73.327  10.078 -10.538
  167   2HE   LYS  21           HE1      LYS  21  72.373  10.832  -9.245
  168   1HZ   LYS  21           HZ3      LYS  21  75.198  11.505  -9.304
  169   2HZ   LYS  21           HZ2      LYS  21  74.275  12.126 -10.588
  170   3HZ   LYS  21           HZ1      LYS  21  73.856  12.493  -8.983
  171    H    ALA  22           HN       ALA  22  71.066   5.940 -10.026
  172    HA   ALA  22           HA       ALA  22  69.269   7.977 -10.998
  173   1HB   ALA  22           HB1      ALA  22  70.561   5.530 -11.860
  174   2HB   ALA  22           HB3      ALA  22  68.887   5.563 -12.413
  175   3HB   ALA  22           HB2      ALA  22  69.983   6.877 -12.841
  176    H    ALA  23           HN       ALA  23  68.720   4.628  -9.851
  177    HA   ALA  23           HA       ALA  23  65.870   4.657 -10.075
  178   1HB   ALA  23           HB1      ALA  23  67.811   3.176  -8.273
  179   2HB   ALA  23           HB3      ALA  23  66.104   2.761  -8.417
  180   3HB   ALA  23           HB2      ALA  23  67.166   2.619  -9.817
  181    H    PHE  24           HN       PHE  24  68.024   5.409  -7.320
  182    HA   PHE  24           HA       PHE  24  66.244   5.862  -5.253
  183   1HB   PHE  24           HB2      PHE  24  68.579   6.177  -4.921
  184   2HB   PHE  24           HB1      PHE  24  68.683   7.362  -6.222
  185    HD1  PHE  24           HD2      PHE  24  67.482   9.596  -5.939
  186    HD2  PHE  24           HD1      PHE  24  68.105   6.846  -2.700
  187    HE1  PHE  24           HE2      PHE  24  67.075  11.422  -4.311
  188    HE2  PHE  24           HE1      PHE  24  67.699   8.671  -1.071
  189    HZ   PHE  24           HZ       PHE  24  67.184  10.960  -1.877
  190    H    ASP  25           HN       ASP  25  67.016   8.165  -7.882
  191    HA   ASP  25           HA       ASP  25  65.212  10.227  -6.995
  192   1HB   ASP  25           HB2      ASP  25  66.917   9.545  -9.299
  193   2HB   ASP  25           HB1      ASP  25  65.509  10.519  -9.725
  194    H    ILE  26           HN       ILE  26  64.732   7.234  -8.711
  195    HA   ILE  26           HA       ILE  26  62.280   7.919 -10.073
  196    HB   ILE  26           HB       ILE  26  63.370   5.260  -9.094
  197   1HG1  ILE  26          HG12      ILE  26  64.949   6.633 -10.501
  198   2HG1  ILE  26          HG11      ILE  26  64.470   5.111 -11.253
  199   1HG2  ILE  26          HG23      ILE  26  60.941   5.952 -10.396
  200   2HG2  ILE  26          HG22      ILE  26  61.969   5.171 -11.597
  201   3HG2  ILE  26          HG21      ILE  26  61.581   4.338 -10.093
  202   1HD1  ILE  26          HD12      ILE  26  63.095   7.755 -11.796
  203   2HD1  ILE  26          HD11      ILE  26  64.379   7.094 -12.808
  204   3HD1  ILE  26          HD13      ILE  26  62.849   6.232 -12.650
  205    H    PHE  27           HN       PHE  27  63.022   6.537  -6.868
  206    HA   PHE  27           HA       PHE  27  60.242   6.024  -6.183
  207   1HB   PHE  27           HB2      PHE  27  62.566   6.454  -4.296
  208   2HB   PHE  27           HB1      PHE  27  61.185   5.376  -4.091
  209    HD1  PHE  27           HD1      PHE  27  60.940   3.847  -6.461
  210    HD2  PHE  27           HD2      PHE  27  64.544   5.253  -4.594
  211    HE1  PHE  27           HE1      PHE  27  62.215   2.014  -7.541
  212    HE2  PHE  27           HE2      PHE  27  65.818   3.420  -5.674
  213    HZ   PHE  27           HZ       PHE  27  64.654   1.801  -7.148
  214    H    VAL  28           HN       VAL  28  62.572   8.637  -5.531
  215    HA   VAL  28           HA       VAL  28  60.544  10.190  -4.041
  216    HB   VAL  28           HB       VAL  28  62.475  11.601  -3.565
  217   1HG1  VAL  28          HG13      VAL  28  62.222   9.372  -2.404
  218   2HG1  VAL  28          HG12      VAL  28  63.379   8.713  -3.560
  219   3HG1  VAL  28          HG11      VAL  28  63.875   9.985  -2.444
  220   1HG2  VAL  28          HG23      VAL  28  63.539  10.190  -5.957
  221   2HG2  VAL  28          HG22      VAL  28  63.788  11.855  -5.433
  222   3HG2  VAL  28          HG21      VAL  28  64.696  10.547  -4.674
  223    H    LEU  29           HN       LEU  29  60.118   9.706  -6.931
  224    HA   LEU  29           HA       LEU  29  60.901  11.737  -8.680
  225   1HB   LEU  29           HB2      LEU  29  58.475  10.040  -8.271
  226   2HB   LEU  29           HB1      LEU  29  58.359  11.354  -9.444
  227    HG   LEU  29           HG       LEU  29  60.491   9.197  -9.426
  228   1HD1  LEU  29          HD13      LEU  29  58.054   8.629 -10.123
  229   2HD1  LEU  29          HD12      LEU  29  58.379   9.638 -11.532
  230   3HD1  LEU  29          HD11      LEU  29  59.354   8.199 -11.234
  231   1HD2  LEU  29          HD22      LEU  29  60.099  11.740 -10.926
  232   2HD2  LEU  29          HD21      LEU  29  61.594  10.914 -10.487
  233   3HD2  LEU  29          HD23      LEU  29  60.643  10.347 -11.860
  234    H    GLY  30           HN       GLY  30  57.796  11.843  -6.882
  235   1HA   GLY  30           HA2      GLY  30  58.059  14.823  -6.867
  236   2HA   GLY  30           HA1      GLY  30  56.513  13.971  -6.885
  237    H    ALA  31           HN       ALA  31  59.285  13.061  -4.893
  238    HA   ALA  31           HA       ALA  31  57.723  12.857  -2.495
  239   1HB   ALA  31           HB1      ALA  31  60.185  12.065  -3.405
  240   2HB   ALA  31           HB3      ALA  31  60.631  13.327  -2.257
  241   3HB   ALA  31           HB2      ALA  31  59.670  11.948  -1.724
  242    H    GLU  32           HN       GLU  32  58.571  14.138  -0.443
  243    HA   GLU  32           HA       GLU  32  58.450  17.048  -1.132
  244   1HB   GLU  32           HB2      GLU  32  57.449  17.270   1.081
  245   2HB   GLU  32           HB1      GLU  32  56.632  15.962   0.224
  246   1HG   GLU  32           HG2      GLU  32  57.186  14.538   1.872
  247   2HG   GLU  32           HG1      GLU  32  58.895  14.846   1.557
  248    H    ASP  33           HN       ASP  33  60.529  14.620   0.111
  249    HA   ASP  33           HA       ASP  33  62.458  16.724   0.994
  250   1HB   ASP  33           HB2      ASP  33  62.943  15.304   2.987
  251   2HB   ASP  33           HB1      ASP  33  61.272  15.869   2.968
  252    H    GLY  34           HN       GLY  34  62.128  14.794  -1.364
  253   1HA   GLY  34           HA2      GLY  34  63.467  13.321  -2.616
  254   2HA   GLY  34           HA1      GLY  34  64.808  14.213  -1.896
  255    H    CYS  35           HN       CYS  35  62.395  12.037  -0.406
  256    HA   CYS  35           HA       CYS  35  64.671  10.286   0.468
  257   1HB   CYS  35           HB2      CYS  35  62.296  11.386   1.995
  258   2HB   CYS  35           HB1      CYS  35  63.305  10.076   2.610
  259    HG   CYS  35           HG       CYS  35  64.518  12.110   3.520
  260    H    ILE  36           HN       ILE  36  64.131   8.037   0.640
  261    HA   ILE  36           HA       ILE  36  61.643   7.267  -0.832
  262    HB   ILE  36           HB       ILE  36  63.798   5.299  -0.214
  263   1HG1  ILE  36          HG12      ILE  36  64.192   7.620  -2.135
  264   2HG1  ILE  36          HG11      ILE  36  65.169   7.260  -0.712
  265   1HG2  ILE  36          HG21      ILE  36  61.707   5.780  -2.187
  266   2HG2  ILE  36          HG23      ILE  36  63.250   5.390  -2.951
  267   3HG2  ILE  36          HG22      ILE  36  62.538   4.278  -1.780
  268   1HD1  ILE  36          HD13      ILE  36  64.996   4.925  -2.404
  269   2HD1  ILE  36          HD12      ILE  36  65.576   6.306  -3.336
  270   3HD1  ILE  36          HD11      ILE  36  66.430   5.804  -1.877
  271    H    SER  37           HN       SER  37  60.232   7.389   1.052
  272    HA   SER  37           HA       SER  37  60.761   6.101   3.556
  273   1HB   SER  37           HB2      SER  37  58.872   7.275   3.942
  274   2HB   SER  37           HB1      SER  37  58.699   7.566   2.215
  275    HG   SER  37           HG       SER  37  57.650   5.528   2.078
  276    H    THR  38           HN       THR  38  59.108   4.253   4.270
  277    HA   THR  38           HA       THR  38  59.789   1.873   2.773
  278    HB   THR  38           HB       THR  38  58.623   0.773   4.548
  279    HG1  THR  38           HG1      THR  38  57.425   3.075   5.518
  280   1HG2  THR  38          HG22      THR  38  60.398   2.928   5.068
  281   2HG2  THR  38          HG21      THR  38  59.162   2.957   6.327
  282   3HG2  THR  38          HG23      THR  38  60.113   1.496   6.059
  283    H    LYS  39           HN       LYS  39  56.816   3.806   3.113
  284    HA   LYS  39           HA       LYS  39  54.975   2.166   1.759
  285   1HB   LYS  39           HB2      LYS  39  55.192   4.798   2.730
  286   2HB   LYS  39           HB1      LYS  39  54.741   4.972   1.034
  287   1HG   LYS  39           HG2      LYS  39  52.660   4.765   2.107
  288   2HG   LYS  39           HG1      LYS  39  52.982   3.121   1.553
  289   1HD   LYS  39           HD2      LYS  39  54.230   3.101   3.982
  290   2HD   LYS  39           HD1      LYS  39  52.885   4.195   4.305
  291   1HE   LYS  39           HE2      LYS  39  52.525   1.487   2.980
  292   2HE   LYS  39           HE1      LYS  39  52.344   1.754   4.726
  293   1HZ   LYS  39           HZ3      LYS  39  50.929   3.784   3.813
  294   2HZ   LYS  39           HZ2      LYS  39  50.685   2.707   2.522
  295   3HZ   LYS  39           HZ1      LYS  39  50.239   2.262   4.100
  296    H    GLU  40           HN       GLU  40  57.640   4.064   0.483
  297    HA   GLU  40           HA       GLU  40  56.765   3.458  -2.314
  298   1HB   GLU  40           HB2      GLU  40  58.622   5.474  -1.030
  299   2HB   GLU  40           HB1      GLU  40  58.577   5.223  -2.775
  300   1HG   GLU  40           HG2      GLU  40  56.517   6.195  -3.000
  301   2HG   GLU  40           HG1      GLU  40  55.948   5.591  -1.443
  302    H    LEU  41           HN       LEU  41  57.995   1.427  -0.566
  303    HA   LEU  41           HA       LEU  41  60.561   1.014  -2.065
  304   1HB   LEU  41           HB2      LEU  41  59.961   1.197   0.754
  305   2HB   LEU  41           HB1      LEU  41  60.602  -0.405   0.385
  306    HG   LEU  41           HG       LEU  41  61.882   2.255  -0.309
  307   1HD1  LEU  41          HD11      LEU  41  62.364   0.117   1.739
  308   2HD1  LEU  41          HD13      LEU  41  63.740   1.017   1.100
  309   3HD1  LEU  41          HD12      LEU  41  62.432   1.870   1.919
  310   1HD2  LEU  41          HD22      LEU  41  62.506  -0.590  -1.103
  311   2HD2  LEU  41          HD21      LEU  41  62.424   0.845  -2.126
  312   3HD2  LEU  41          HD23      LEU  41  63.780   0.626  -1.021
  313    H    GLY  42           HN       GLY  42  57.923  -0.655  -0.298
  314   1HA   GLY  42           HA2      GLY  42  58.411  -3.296  -0.986
  315   2HA   GLY  42           HA1      GLY  42  56.777  -2.631  -0.908
  316    H    LYS  43           HN       LYS  43  56.366  -1.120  -2.978
  317    HA   LYS  43           HA       LYS  43  56.286  -2.841  -5.257
  318   1HB   LYS  43           HB2      LYS  43  55.531  -0.145  -4.454
  319   2HB   LYS  43           HB1      LYS  43  56.072  -0.183  -6.132
  320   1HG   LYS  43           HG2      LYS  43  54.540  -2.353  -6.218
  321   2HG   LYS  43           HG1      LYS  43  53.740  -1.561  -4.860
  322   1HD   LYS  43           HD2      LYS  43  54.348   0.017  -7.343
  323   2HD   LYS  43           HD1      LYS  43  52.938  -1.042  -7.307
  324   1HE   LYS  43           HE2      LYS  43  52.000   0.930  -6.481
  325   2HE   LYS  43           HE1      LYS  43  52.532   0.181  -4.962
  326   1HZ   LYS  43           HZ3      LYS  43  54.364   1.851  -6.568
  327   2HZ   LYS  43           HZ2      LYS  43  53.308   2.558  -5.441
  328   3HZ   LYS  43           HZ1      LYS  43  54.475   1.436  -4.928
  329    H    VAL  44           HN       VAL  44  58.678  -0.529  -4.131
  330    HA   VAL  44           HA       VAL  44  60.119  -0.247  -6.627
  331    HB   VAL  44           HB       VAL  44  60.781   0.156  -3.697
  332   1HG1  VAL  44          HG11      VAL  44  62.463   0.508  -6.165
  333   2HG1  VAL  44          HG13      VAL  44  62.687   1.585  -4.787
  334   3HG1  VAL  44          HG12      VAL  44  62.921  -0.153  -4.596
  335   1HG2  VAL  44          HG21      VAL  44  60.102   2.003  -6.005
  336   2HG2  VAL  44          HG23      VAL  44  59.138   1.713  -4.557
  337   3HG2  VAL  44          HG22      VAL  44  60.675   2.569  -4.435
  338    H    MET  45           HN       MET  45  60.671  -2.240  -3.702
  339    HA   MET  45           HA       MET  45  63.013  -3.574  -4.383
  340   1HB   MET  45           HB2      MET  45  60.466  -4.345  -2.977
  341   2HB   MET  45           HB1      MET  45  61.750  -5.540  -3.170
  342   1HG   MET  45           HG2      MET  45  62.564  -2.849  -2.189
  343   2HG   MET  45           HG1      MET  45  61.655  -3.864  -1.068
  344   1HE   MET  45           HE1      MET  45  64.893  -2.875  -2.429
  345   2HE   MET  45           HE3      MET  45  64.664  -2.810  -0.676
  346   3HE   MET  45           HE2      MET  45  65.936  -3.816  -1.365
  347    H    ARG  46           HN       ARG  46  59.755  -4.124  -5.668
  348    HA   ARG  46           HA       ARG  46  60.341  -6.571  -7.078
  349   1HB   ARG  46           HB2      ARG  46  58.312  -4.417  -7.743
  350   2HB   ARG  46           HB1      ARG  46  58.194  -6.138  -8.107
  351   1HG   ARG  46           HG2      ARG  46  58.537  -6.281  -5.435
  352   2HG   ARG  46           HG1      ARG  46  57.743  -4.709  -5.539
  353   1HD   ARG  46           HD2      ARG  46  55.751  -5.742  -5.828
  354   2HD   ARG  46           HD1      ARG  46  56.374  -6.531  -7.291
  355    HE   ARG  46           HE       ARG  46  56.867  -8.460  -5.995
  356   1HH1  ARG  46          HH11      ARG  46  56.448  -5.677  -4.010
  357   2HH1  ARG  46          HH12      ARG  46  56.263  -6.583  -2.546
  358   1HH2  ARG  46          HH21      ARG  46  56.504  -9.669  -4.112
  359   2HH2  ARG  46          HH22      ARG  46  56.293  -8.843  -2.603
  360    H    MET  47           HN       MET  47  60.838  -3.171  -7.806
  361    HA   MET  47           HA       MET  47  61.279  -3.544 -10.666
  362   1HB   MET  47           HB2      MET  47  61.380  -1.406  -8.613
  363   2HB   MET  47           HB1      MET  47  62.433  -1.164 -10.008
  364   1HG   MET  47           HG2      MET  47  59.750  -2.110 -10.732
  365   2HG   MET  47           HG1      MET  47  59.744  -0.541  -9.924
  366   1HE   MET  47           HE1      MET  47  60.632   1.488 -10.637
  367   2HE   MET  47           HE3      MET  47  62.323   0.971 -10.690
  368   3HE   MET  47           HE2      MET  47  61.620   1.838 -12.054
  369    H    LEU  48           HN       LEU  48  63.459  -2.845  -7.897
  370    HA   LEU  48           HA       LEU  48  65.902  -3.050  -9.357
  371   1HB   LEU  48           HB2      LEU  48  65.281  -3.658  -6.446
  372   2HB   LEU  48           HB1      LEU  48  66.872  -3.262  -7.099
  373    HG   LEU  48           HG       LEU  48  64.436  -1.471  -6.969
  374   1HD1  LEU  48          HD12      LEU  48  66.403  -1.881  -5.131
  375   2HD1  LEU  48          HD11      LEU  48  67.127  -0.592  -6.094
  376   3HD1  LEU  48          HD13      LEU  48  65.557  -0.346  -5.327
  377   1HD2  LEU  48          HD23      LEU  48  67.037  -1.151  -8.492
  378   2HD2  LEU  48          HD22      LEU  48  65.400  -1.110  -9.146
  379   3HD2  LEU  48          HD21      LEU  48  65.971   0.201  -8.113
  380    H    GLY  49           HN       GLY  49  63.747  -5.498  -8.082
  381   1HA   GLY  49           HA2      GLY  49  64.048  -7.726  -9.271
  382   2HA   GLY  49           HA1      GLY  49  65.752  -7.586  -8.840
  383    H    GLN  50           HN       GLN  50  64.041  -6.291  -6.310
  384    HA   GLN  50           HA       GLN  50  64.455  -8.735  -4.697
  385   1HB   GLN  50           HB2      GLN  50  63.795  -5.836  -4.173
  386   2HB   GLN  50           HB1      GLN  50  63.735  -7.034  -2.881
  387   1HG   GLN  50           HG2      GLN  50  66.178  -7.223  -4.488
  388   2HG   GLN  50           HG1      GLN  50  66.003  -5.661  -3.687
  389   1HE2  GLN  50          HE22      GLN  50  67.645  -7.788  -1.171
  390   2HE2  GLN  50          HE21      GLN  50  68.049  -7.017  -2.628
  391    H    ASN  51           HN       ASN  51  62.672  -9.291  -3.093
  392    HA   ASN  51           HA       ASN  51  59.917  -8.656  -3.988
  393   1HB   ASN  51           HB2      ASN  51  61.099 -11.454  -3.934
  394   2HB   ASN  51           HB1      ASN  51  59.419 -11.059  -4.305
  395   1HD2  ASN  51          HD22      ASN  51  62.325 -10.344  -7.105
  396   2HD2  ASN  51          HD21      ASN  51  62.764 -10.680  -5.500
  397    HA   PRO  52           HA       PRO  52  60.681  -9.559   0.563
  398   1HB   PRO  52           HB2      PRO  52  60.300  -7.019   1.510
  399   2HB   PRO  52           HB1      PRO  52  61.888  -7.641   1.018
  400   1HG   PRO  52           HG2      PRO  52  60.020  -5.853  -0.444
  401   2HG   PRO  52           HG1      PRO  52  61.789  -5.838  -0.389
  402   1HD   PRO  52           HD2      PRO  52  60.326  -6.848  -2.476
  403   2HD   PRO  52           HD1      PRO  52  61.982  -7.357  -2.079
  404    H    THR  53           HN       THR  53  59.013  -8.890   2.377
  405    HA   THR  53           HA       THR  53  56.280  -8.889   1.142
  406    HB   THR  53           HB       THR  53  55.660 -10.273   2.996
  407    HG1  THR  53           HG1      THR  53  57.227 -10.582   4.711
  408   1HG2  THR  53          HG21      THR  53  57.092 -11.392   1.303
  409   2HG2  THR  53          HG23      THR  53  58.510 -11.011   2.281
  410   3HG2  THR  53          HG22      THR  53  57.275 -12.103   2.907
  411    HA   PRO  54           HA       PRO  54  55.247  -5.179   3.255
  412   1HB   PRO  54           HB2      PRO  54  52.803  -5.710   4.379
  413   2HB   PRO  54           HB1      PRO  54  53.037  -5.460   2.636
  414   1HG   PRO  54           HG2      PRO  54  52.775  -8.009   4.162
  415   2HG   PRO  54           HG1      PRO  54  52.083  -7.557   2.594
  416   1HD   PRO  54           HD2      PRO  54  54.268  -9.132   2.822
  417   2HD   PRO  54           HD1      PRO  54  54.023  -8.030   1.450
  418    H    GLU  55           HN       GLU  55  55.200  -8.150   5.109
  419    HA   GLU  55           HA       GLU  55  55.174  -6.793   7.718
  420   1HB   GLU  55           HB2      GLU  55  55.353  -9.592   6.640
  421   2HB   GLU  55           HB1      GLU  55  55.780  -9.294   8.325
  422   1HG   GLU  55           HG2      GLU  55  53.309  -7.937   7.563
  423   2HG   GLU  55           HG1      GLU  55  53.204  -9.684   7.340
  424    H    GLU  56           HN       GLU  56  57.539  -8.209   5.503
  425    HA   GLU  56           HA       GLU  56  59.754  -7.877   7.432
  426   1HB   GLU  56           HB2      GLU  56  59.170  -9.255   4.910
  427   2HB   GLU  56           HB1      GLU  56  60.778  -8.533   4.933
  428   1HG   GLU  56           HG2      GLU  56  61.444 -10.335   6.116
  429   2HG   GLU  56           HG1      GLU  56  60.520  -9.672   7.465
  430    H    LEU  57           HN       LEU  57  58.699  -6.484   4.310
  431    HA   LEU  57           HA       LEU  57  60.758  -4.773   3.651
  432   1HB   LEU  57           HB2      LEU  57  58.726  -4.910   2.364
  433   2HB   LEU  57           HB1      LEU  57  57.763  -4.315   3.716
  434    HG   LEU  57           HG       LEU  57  59.183  -2.188   3.603
  435   1HD1  LEU  57          HD12      LEU  57  60.375  -3.781   1.480
  436   2HD1  LEU  57          HD11      LEU  57  59.808  -2.224   0.875
  437   3HD1  LEU  57          HD13      LEU  57  60.957  -2.287   2.212
  438   1HD2  LEU  57          HD21      LEU  57  56.856  -2.316   2.774
  439   2HD2  LEU  57          HD23      LEU  57  57.836  -1.270   1.746
  440   3HD2  LEU  57          HD22      LEU  57  57.444  -2.907   1.220
  441    H    GLN  58           HN       GLN  58  58.018  -3.440   5.520
  442    HA   GLN  58           HA       GLN  58  59.243  -1.148   6.508
  443   1HB   GLN  58           HB2      GLN  58  56.852  -2.306   6.781
  444   2HB   GLN  58           HB1      GLN  58  57.525  -2.776   8.343
  445   1HG   GLN  58           HG2      GLN  58  57.166   0.023   7.251
  446   2HG   GLN  58           HG1      GLN  58  56.435  -0.673   8.698
  447   1HE2  GLN  58          HE22      GLN  58  59.830   1.274   9.176
  448   2HE2  GLN  58          HE21      GLN  58  58.705   1.527   7.930
  449    H    GLU  59           HN       GLU  59  58.961  -4.158   8.451
  450    HA   GLU  59           HA       GLU  59  60.651  -3.558  10.559
  451   1HB   GLU  59           HB2      GLU  59  59.423  -5.648  10.354
  452   2HB   GLU  59           HB1      GLU  59  60.380  -6.115   8.947
  453   1HG   GLU  59           HG2      GLU  59  61.171  -7.253  11.002
  454   2HG   GLU  59           HG1      GLU  59  62.409  -6.191  10.329
  455    H    MET  60           HN       MET  60  61.652  -4.804   7.360
  456    HA   MET  60           HA       MET  60  64.459  -4.913   7.847
  457   1HB   MET  60           HB2      MET  60  62.579  -4.786   5.545
  458   2HB   MET  60           HB1      MET  60  64.256  -4.364   5.197
  459   1HG   MET  60           HG2      MET  60  64.491  -6.617   6.798
  460   2HG   MET  60           HG1      MET  60  63.086  -6.979   5.796
  461   1HE   MET  60           HE1      MET  60  65.263  -8.657   5.882
  462   2HE   MET  60           HE3      MET  60  64.561  -9.063   4.310
  463   3HE   MET  60           HE2      MET  60  66.295  -8.787   4.460
  464    H    ILE  61           HN       ILE  61  62.322  -2.251   6.938
  465    HA   ILE  61           HA       ILE  61  64.559  -0.383   6.486
  466    HB   ILE  61           HB       ILE  61  61.533  -0.184   6.525
  467   1HG1  ILE  61          HG12      ILE  61  63.123   0.396   4.097
  468   2HG1  ILE  61          HG11      ILE  61  63.190  -1.279   4.648
  469   1HG2  ILE  61          HG23      ILE  61  63.541   1.907   6.669
  470   2HG2  ILE  61          HG22      ILE  61  62.612   2.029   5.175
  471   3HG2  ILE  61          HG21      ILE  61  61.783   2.044   6.731
  472   1HD1  ILE  61          HD13      ILE  61  60.480  -0.216   4.778
  473   2HD1  ILE  61          HD12      ILE  61  61.140  -0.119   3.145
  474   3HD1  ILE  61          HD11      ILE  61  61.071  -1.672   3.978
  475    H    ASP  62           HN       ASP  62  62.572  -1.438   9.113
  476    HA   ASP  62           HA       ASP  62  62.926   1.019  10.709
  477   1HB   ASP  62           HB2      ASP  62  60.855  -0.251  10.842
  478   2HB   ASP  62           HB1      ASP  62  61.742  -1.725  11.231
  479    H    GLU  63           HN       GLU  63  64.990  -1.399   9.869
  480    HA   GLU  63           HA       GLU  63  66.254  -1.579  12.579
  481   1HB   GLU  63           HB2      GLU  63  66.325  -3.276  10.074
  482   2HB   GLU  63           HB1      GLU  63  67.437  -3.536  11.419
  483   1HG   GLU  63           HG2      GLU  63  65.165  -3.466  12.821
  484   2HG   GLU  63           HG1      GLU  63  64.489  -3.992  11.280
  485    H    VAL  64           HN       VAL  64  67.015  -1.075   9.118
  486    HA   VAL  64           HA       VAL  64  69.790  -0.404   9.575
  487    HB   VAL  64           HB       VAL  64  68.542  -1.215   7.459
  488   1HG1  VAL  64          HG12      VAL  64  66.825   0.622   7.579
  489   2HG1  VAL  64          HG11      VAL  64  68.097   1.768   7.154
  490   3HG1  VAL  64          HG13      VAL  64  67.633   0.503   6.015
  491   1HG2  VAL  64          HG21      VAL  64  70.954  -0.149   7.771
  492   2HG2  VAL  64          HG23      VAL  64  70.309  -0.464   6.159
  493   3HG2  VAL  64          HG22      VAL  64  70.247   1.166   6.831
  494    H    ASP  65           HN       ASP  65  66.811   1.525   9.243
  495    HA   ASP  65           HA       ASP  65  67.814   4.120   9.045
  496   1HB   ASP  65           HB2      ASP  65  65.402   2.923   9.483
  497   2HB   ASP  65           HB1      ASP  65  65.674   3.685  11.050
  498    H    GLU  66           HN       GLU  66  69.693   4.646  10.198
  499    HA   GLU  66           HA       GLU  66  69.705   4.152  13.146
  500   1HB   GLU  66           HB2      GLU  66  71.534   3.398  11.480
  501   2HB   GLU  66           HB1      GLU  66  71.987   5.102  11.410
  502   1HG   GLU  66           HG2      GLU  66  72.254   5.118  13.876
  503   2HG   GLU  66           HG1      GLU  66  71.853   3.400  13.916
  504    H    ASP  67           HN       ASP  67  69.462   6.670  10.764
  505    HA   ASP  67           HA       ASP  67  70.452   8.871  12.345
  506   1HB   ASP  67           HB2      ASP  67  69.221  10.194  10.633
  507   2HB   ASP  67           HB1      ASP  67  70.180   8.907   9.900
  508    H    GLY  68           HN       GLY  68  67.226   7.421  11.922
  509   1HA   GLY  68           HA2      GLY  68  65.585   7.404  13.712
  510   2HA   GLY  68           HA1      GLY  68  66.364   8.832  14.395
  511    H    SER  69           HN       SER  69  65.627   8.504  10.974
  512    HA   SER  69           HA       SER  69  63.863  10.892  11.181
  513   1HB   SER  69           HB2      SER  69  64.322  11.079   8.804
  514   2HB   SER  69           HB1      SER  69  65.842  10.728   9.622
  515    HG   SER  69           HG       SER  69  65.389   9.423   7.726
  516    H    GLY  70           HN       GLY  70  63.866   7.591   9.800
  517   1HA   GLY  70           HA2      GLY  70  61.827   6.212  10.055
  518   2HA   GLY  70           HA1      GLY  70  60.879   7.689   9.876
  519    H    THR  71           HN       THR  71  63.508   7.731   7.770
  520    HA   THR  71           HA       THR  71  61.860   6.573   5.545
  521    HB   THR  71           HB       THR  71  63.201   8.577   4.333
  522    HG1  THR  71           HG1      THR  71  64.074   9.787   5.789
  523   1HG2  THR  71          HG22      THR  71  60.568   8.107   5.269
  524   2HG2  THR  71          HG21      THR  71  60.955   9.782   5.661
  525   3HG2  THR  71          HG23      THR  71  61.076   9.216   3.994
  526    H    VAL  72           HN       VAL  72  63.394   6.311   3.522
  527    HA   VAL  72           HA       VAL  72  65.968   5.119   4.487
  528    HB   VAL  72           HB       VAL  72  64.544   4.433   1.919
  529   1HG1  VAL  72          HG13      VAL  72  66.867   3.616   2.495
  530   2HG1  VAL  72          HG12      VAL  72  66.145   2.730   3.837
  531   3HG1  VAL  72          HG11      VAL  72  65.691   2.340   2.179
  532   1HG2  VAL  72          HG21      VAL  72  63.784   3.688   4.731
  533   2HG2  VAL  72          HG23      VAL  72  62.740   4.049   3.356
  534   3HG2  VAL  72          HG22      VAL  72  63.582   2.501   3.443
  535    H    ASP  73           HN       ASP  73  67.470   6.762   4.079
  536    HA   ASP  73           HA       ASP  73  67.333   8.296   1.556
  537   1HB   ASP  73           HB2      ASP  73  68.982   9.662   2.610
  538   2HB   ASP  73           HB1      ASP  73  67.908   9.159   3.915
  539    H    PHE  74           HN       PHE  74  69.588   8.538   0.413
  540    HA   PHE  74           HA       PHE  74  70.342   6.158  -0.850
  541   1HB   PHE  74           HB2      PHE  74  70.888   8.600  -1.376
  542   2HB   PHE  74           HB1      PHE  74  72.202   8.460  -0.209
  543    HD1  PHE  74           HD1      PHE  74  70.889   5.957  -2.661
  544    HD2  PHE  74           HD2      PHE  74  74.184   8.444  -1.473
  545    HE1  PHE  74           HE1      PHE  74  72.315   4.896  -4.392
  546    HE2  PHE  74           HE2      PHE  74  75.609   7.383  -3.201
  547    HZ   PHE  74           HZ       PHE  74  74.675   5.610  -4.662
  548    H    ASP  75           HN       ASP  75  72.002   7.716   1.922
  549    HA   ASP  75           HA       ASP  75  74.060   5.847   2.331
  550   1HB   ASP  75           HB2      ASP  75  73.212   8.119   3.499
  551   2HB   ASP  75           HB1      ASP  75  72.624   6.963   4.695
  552    H    GLU  76           HN       GLU  76  70.940   5.868   4.114
  553    HA   GLU  76           HA       GLU  76  71.332   3.214   5.194
  554   1HB   GLU  76           HB2      GLU  76  68.825   4.890   4.837
  555   2HB   GLU  76           HB1      GLU  76  69.021   3.550   5.966
  556   1HG   GLU  76           HG2      GLU  76  70.473   4.746   7.347
  557   2HG   GLU  76           HG1      GLU  76  70.953   5.847   6.055
  558    H    PHE  77           HN       PHE  77  69.346   4.485   2.503
  559    HA   PHE  77           HA       PHE  77  67.886   2.296   1.690
  560   1HB   PHE  77           HB2      PHE  77  67.885   4.436   0.541
  561   2HB   PHE  77           HB1      PHE  77  69.561   4.213   0.040
  562    HD1  PHE  77           HD2      PHE  77  66.457   2.094  -0.010
  563    HD2  PHE  77           HD1      PHE  77  69.771   3.702  -2.219
  564    HE1  PHE  77           HE2      PHE  77  65.691   0.888  -2.038
  565    HE2  PHE  77           HE1      PHE  77  69.005   2.497  -4.247
  566    HZ   PHE  77           HZ       PHE  77  66.965   1.089  -4.156
  567    H    LEU  78           HN       LEU  78  71.375   2.789   1.080
  568    HA   LEU  78           HA       LEU  78  71.688   0.327  -0.427
  569   1HB   LEU  78           HB2      LEU  78  73.334   2.530   0.682
  570   2HB   LEU  78           HB1      LEU  78  74.176   0.995   0.467
  571    HG   LEU  78           HG       LEU  78  72.449   2.113  -1.733
  572   1HD1  LEU  78          HD12      LEU  78  74.079   3.874  -1.077
  573   2HD1  LEU  78          HD11      LEU  78  75.389   2.711  -1.281
  574   3HD1  LEU  78          HD13      LEU  78  74.428   3.210  -2.673
  575   1HD2  LEU  78          HD21      LEU  78  74.406  -0.063  -1.341
  576   2HD2  LEU  78          HD23      LEU  78  73.088   0.068  -2.505
  577   3HD2  LEU  78          HD22      LEU  78  74.631   0.857  -2.828
  578    H    VAL  79           HN       VAL  79  72.383   1.281   2.955
  579    HA   VAL  79           HA       VAL  79  73.575  -1.099   3.878
  580    HB   VAL  79           HB       VAL  79  71.581   0.715   5.278
  581   1HG1  VAL  79          HG11      VAL  79  73.800  -1.053   6.355
  582   2HG1  VAL  79          HG13      VAL  79  72.793   0.027   7.319
  583   3HG1  VAL  79          HG12      VAL  79  72.071  -1.364   6.510
  584   1HG2  VAL  79          HG21      VAL  79  74.343   1.087   4.336
  585   2HG2  VAL  79          HG23      VAL  79  73.157   2.292   4.837
  586   3HG2  VAL  79          HG22      VAL  79  74.128   1.456   6.047
  587    H    MET  80           HN       MET  80  70.094  -0.284   3.669
  588    HA   MET  80           HA       MET  80  68.993  -2.603   4.822
  589   1HB   MET  80           HB2      MET  80  68.190  -0.366   3.274
  590   2HB   MET  80           HB1      MET  80  67.545  -1.790   2.457
  591   1HG   MET  80           HG2      MET  80  67.250  -1.907   5.373
  592   2HG   MET  80           HG1      MET  80  66.391  -0.551   4.643
  593   1HE   MET  80           HE2      MET  80  65.792  -1.361   1.872
  594   2HE   MET  80           HE1      MET  80  64.247  -2.206   1.904
  595   3HE   MET  80           HE3      MET  80  64.481  -0.746   2.875
  596    H    MET  81           HN       MET  81  69.942  -2.052   1.417
  597    HA   MET  81           HA       MET  81  69.238  -4.604   0.387
  598   1HB   MET  81           HB2      MET  81  70.948  -2.296  -0.297
  599   2HB   MET  81           HB1      MET  81  71.457  -3.815  -1.037
  600   1HG   MET  81           HG2      MET  81  69.492  -4.044  -2.249
  601   2HG   MET  81           HG1      MET  81  68.551  -3.088  -1.103
  602   1HE   MET  81           HE3      MET  81  67.719  -2.698  -3.401
  603   2HE   MET  81           HE2      MET  81  67.492  -0.997  -3.002
  604   3HE   MET  81           HE1      MET  81  68.285  -1.443  -4.511
  605    H    VAL  82           HN       VAL  82  72.568  -3.527   1.171
  606    HA   VAL  82           HA       VAL  82  73.838  -6.022   1.137
  607    HB   VAL  82           HB       VAL  82  75.007  -3.899   1.361
  608   1HG1  VAL  82          HG13      VAL  82  73.283  -2.740   2.702
  609   2HG1  VAL  82          HG12      VAL  82  73.699  -3.737   4.096
  610   3HG1  VAL  82          HG11      VAL  82  74.873  -2.591   3.449
  611   1HG2  VAL  82          HG22      VAL  82  75.403  -6.115   3.216
  612   2HG2  VAL  82          HG21      VAL  82  76.602  -5.185   2.315
  613   3HG2  VAL  82          HG23      VAL  82  76.017  -4.596   3.872
  614    H    ARG  83           HN       ARG  83  71.866  -4.560   3.690
  615    HA   ARG  83           HA       ARG  83  72.441  -6.397   5.800
  616   1HB   ARG  83           HB2      ARG  83  70.292  -4.479   5.017
  617   2HB   ARG  83           HB1      ARG  83  69.901  -5.641   6.285
  618   1HG   ARG  83           HG2      ARG  83  71.940  -4.942   7.523
  619   2HG   ARG  83           HG1      ARG  83  72.260  -3.734   6.279
  620   1HD   ARG  83           HD2      ARG  83  71.106  -2.570   8.040
  621   2HD   ARG  83           HD1      ARG  83  69.890  -2.838   6.773
  622    HE   ARG  83           HE       ARG  83  68.763  -4.164   8.361
  623   1HH1  ARG  83          HH21      ARG  83  71.419  -3.354  10.054
  624   2HH1  ARG  83          HH22      ARG  83  71.673  -4.885  10.824
  625   1HH2  ARG  83          HH11      ARG  83  69.406  -6.572   8.815
  626   2HH2  ARG  83          HH12      ARG  83  70.533  -6.706  10.124
  627    H    CYS  84           HN       CYS  84  70.177  -6.539   3.075
  628    HA   CYS  84           HA       CYS  84  69.027  -9.099   4.006
  629   1HB   CYS  84           HB2      CYS  84  67.582  -7.426   2.996
  630   2HB   CYS  84           HB1      CYS  84  68.629  -7.316   1.582
  631    HG   CYS  84           HG       CYS  84  67.948 -10.051   1.407
  632    H    MET  85           HN       MET  85  71.170  -7.872   1.448
  633    HA   MET  85           HA       MET  85  71.908 -10.713   0.820
  634   1HB   MET  85           HB2      MET  85  72.211  -9.857  -1.527
  635   2HB   MET  85           HB1      MET  85  70.545  -9.747  -0.957
  636   1HG   MET  85           HG2      MET  85  70.560  -7.522  -1.282
  637   2HG   MET  85           HG1      MET  85  71.933  -7.359  -0.190
  638   1HE   MET  85           HE2      MET  85  73.050  -5.841  -0.785
  639   2HE   MET  85           HE1      MET  85  74.457  -6.072  -1.822
  640   3HE   MET  85           HE3      MET  85  73.073  -5.132  -2.399
  641    H    LYS  86           HN       LYS  86  73.488  -9.820   2.681
  642    HA   LYS  86           HA       LYS  86  75.579  -7.978   1.915
  643   1HB   LYS  86           HB2      LYS  86  75.070  -8.369   4.227
  644   2HB   LYS  86           HB1      LYS  86  75.250 -10.113   4.037
  645   1HG   LYS  86           HG2      LYS  86  77.648  -9.831   3.568
  646   2HG   LYS  86           HG1      LYS  86  77.479  -8.082   3.722
  647   1HD   LYS  86           HD2      LYS  86  76.364  -9.473   6.027
  648   2HD   LYS  86           HD1      LYS  86  78.067  -9.867   5.790
  649   1HE   LYS  86           HE2      LYS  86  78.765  -7.704   6.204
  650   2HE   LYS  86           HE1      LYS  86  77.284  -6.991   5.534
  651   1HZ   LYS  86           HZ2      LYS  86  77.121  -8.694   7.927
  652   2HZ   LYS  86           HZ1      LYS  86  77.614  -7.078   8.099
  653   3HZ   LYS  86           HZ3      LYS  86  76.095  -7.432   7.434
  654    H    ASP  87           HN       ASP  87  76.570  -8.640  -0.045
  655    HA   ASP  87           HA       ASP  87  78.022  -9.905  -1.418
  656   1HB   ASP  87           HB2      ASP  87  79.178  -9.529   0.926
  657   2HB   ASP  87           HB1      ASP  87  78.930 -11.266   1.102
  658    H    ASP  88           HN       ASP  88  78.888 -12.469  -1.415
  659    HA   ASP  88           HA       ASP  88  76.469 -14.176  -0.953
  660   1HB   ASP  88           HB2      ASP  88  77.101 -13.181  -3.365
  661   2HB   ASP  88           HB1      ASP  88  78.170 -14.584  -3.374
  662    H    SER  89           HN       SER  89  79.971 -14.107  -1.665
  663    HA   SER  89           HA       SER  89  80.261 -16.572   0.013
  664   1HB   SER  89           HB2      SER  89  81.201 -15.947  -2.773
  665   2HB   SER  89           HB1      SER  89  82.136 -17.054  -1.773
  666    HG   SER  89           HG       SER  89  79.801 -17.923  -1.413
   
  No H/Q in entry =         666
  Start of MODEL   18
    1   1H    MET   1           HT1      MET   1  82.234   2.045  15.605
    2   2H    MET   1           HT3      MET   1  81.353   3.101  16.597
    3   3H    MET   1           HT2      MET   1  82.768   2.367  17.186
    4    HA   MET   1           HA       MET   1  81.770   0.322  17.485
    5   1HB   MET   1           HB2      MET   1  80.816   2.446  18.722
    6   2HB   MET   1           HB1      MET   1  79.362   2.098  17.783
    7   1HG   MET   1           HG2      MET   1  79.199  -0.117  18.721
    8   2HG   MET   1           HG1      MET   1  80.778   0.035  19.492
    9   1HE   MET   1           HE2      MET   1  80.745  -0.100  21.695
   10   2HE   MET   1           HE1      MET   1  79.548   0.468  22.854
   11   3HE   MET   1           HE3      MET   1  79.146  -0.839  21.732
   12    H    ASP   2           HN       ASP   2  79.872  -1.133  17.002
   13    HA   ASP   2           HA       ASP   2  78.604  -2.282  15.366
   14   1HB   ASP   2           HB2      ASP   2  77.189  -0.335  16.136
   15   2HB   ASP   2           HB1      ASP   2  77.773   0.566  14.737
   16    H    ASP   3           HN       ASP   3  80.189  -3.044  13.899
   17    HA   ASP   3           HA       ASP   3  80.649  -1.310  11.494
   18   1HB   ASP   3           HB2      ASP   3  82.916  -2.339  11.439
   19   2HB   ASP   3           HB1      ASP   3  82.630  -1.478  12.951
   20    H    ILE   4           HN       ILE   4  82.246  -3.858  10.608
   21    HA   ILE   4           HA       ILE   4  81.798  -5.814   9.365
   22    HB   ILE   4           HB       ILE   4  79.149  -5.792  10.836
   23   1HG1  ILE   4          HG12      ILE   4  81.739  -6.983  11.856
   24   2HG1  ILE   4          HG11      ILE   4  81.194  -5.373  12.328
   25   1HG2  ILE   4          HG23      ILE   4  79.486  -7.498   9.065
   26   2HG2  ILE   4          HG22      ILE   4  80.952  -8.037   9.885
   27   3HG2  ILE   4          HG21      ILE   4  79.383  -8.227  10.669
   28   1HD1  ILE   4          HD12      ILE   4  78.999  -7.211  12.579
   29   2HD1  ILE   4          HD11      ILE   4  80.396  -7.864  13.434
   30   3HD1  ILE   4          HD13      ILE   4  79.785  -6.260  13.839
   31    H    TYR   5           HN       TYR   5  78.614  -4.190   9.732
   32    HA   TYR   5           HA       TYR   5  77.909  -4.646   6.950
   33   1HB   TYR   5           HB2      TYR   5  76.809  -3.128   9.307
   34   2HB   TYR   5           HB1      TYR   5  76.072  -2.943   7.715
   35    HD1  TYR   5           HD1      TYR   5  74.982  -4.832   6.596
   36    HD2  TYR   5           HD2      TYR   5  76.699  -5.245  10.511
   37    HE1  TYR   5           HE1      TYR   5  73.770  -6.974   6.902
   38    HE2  TYR   5           HE2      TYR   5  75.488  -7.388  10.817
   39    HH   TYR   5           HH       TYR   5  74.382  -9.203   8.615
   40    H    LYS   6           HN       LYS   6  79.252  -1.923   8.785
   41    HA   LYS   6           HA       LYS   6  78.929   0.115   6.813
   42   1HB   LYS   6           HB2      LYS   6  80.734  -0.437   9.149
   43   2HB   LYS   6           HB1      LYS   6  81.082   0.947   8.112
   44   1HG   LYS   6           HG2      LYS   6  78.248   0.791   8.753
   45   2HG   LYS   6           HG1      LYS   6  79.235   0.878  10.213
   46   1HD   LYS   6           HD2      LYS   6  80.408   2.855   9.290
   47   2HD   LYS   6           HD1      LYS   6  79.390   2.778   7.852
   48   1HE   LYS   6           HE2      LYS   6  77.384   2.920   9.481
   49   2HE   LYS   6           HE1      LYS   6  78.574   3.448  10.686
   50   1HZ   LYS   6           HZ1      LYS   6  78.875   4.677   8.090
   51   2HZ   LYS   6           HZ3      LYS   6  77.424   5.078   8.872
   52   3HZ   LYS   6           HZ2      LYS   6  78.912   5.384   9.634
   53    H    ALA   7           HN       ALA   7  80.869  -2.698   6.762
   54    HA   ALA   7           HA       ALA   7  82.940  -1.545   4.987
   55   1HB   ALA   7           HB1      ALA   7  83.484  -3.165   6.776
   56   2HB   ALA   7           HB3      ALA   7  82.418  -4.351   6.025
   57   3HB   ALA   7           HB2      ALA   7  83.880  -3.826   5.191
   58    H    ALA   8           HN       ALA   8  80.162  -3.757   4.837
   59    HA   ALA   8           HA       ALA   8  80.564  -4.655   2.135
   60   1HB   ALA   8           HB3      ALA   8  78.988  -5.357   4.185
   61   2HB   ALA   8           HB2      ALA   8  77.836  -4.344   3.316
   62   3HB   ALA   8           HB1      ALA   8  78.556  -5.742   2.519
   63    H    VAL   9           HN       VAL   9  79.425  -1.658   3.451
   64    HA   VAL   9           HA       VAL   9  77.877  -0.870   1.084
   65    HB   VAL   9           HB       VAL   9  78.901   0.631   3.516
   66   1HG1  VAL   9          HG12      VAL   9  77.551   1.507   1.094
   67   2HG1  VAL   9          HG11      VAL   9  76.570   1.831   2.523
   68   3HG1  VAL   9          HG13      VAL   9  78.209   2.473   2.415
   69   1HG2  VAL   9          HG21      VAL   9  76.356  -0.866   2.880
   70   2HG2  VAL   9          HG23      VAL   9  77.401  -1.032   4.291
   71   3HG2  VAL   9          HG22      VAL   9  76.389   0.401   4.108
   72    H    GLU  10           HN       GLU  10  81.059  -0.068   2.498
   73    HA   GLU  10           HA       GLU  10  81.758   1.835   0.415
   74   1HB   GLU  10           HB2      GLU  10  83.133   0.400   2.676
   75   2HB   GLU  10           HB1      GLU  10  84.083   1.345   1.528
   76   1HG   GLU  10           HG2      GLU  10  82.490   3.275   1.972
   77   2HG   GLU  10           HG1      GLU  10  81.834   2.322   3.303
   78    H    GLN  11           HN       GLN  11  82.165  -1.638   0.860
   79    HA   GLN  11           HA       GLN  11  84.202  -2.021  -1.153
   80   1HB   GLN  11           HB2      GLN  11  82.309  -3.620   0.486
   81   2HB   GLN  11           HB1      GLN  11  82.900  -4.396  -0.984
   82   1HG   GLN  11           HG2      GLN  11  84.807  -4.884   0.105
   83   2HG   GLN  11           HG1      GLN  11  85.147  -3.155   0.186
   84   1HE2  GLN  11          HE22      GLN  11  83.688  -5.078   3.496
   85   2HE2  GLN  11          HE21      GLN  11  83.641  -5.848   1.983
   86    H    LEU  12           HN       LEU  12  80.916  -1.168  -1.402
   87    HA   LEU  12           HA       LEU  12  79.993  -2.586  -3.668
   88   1HB   LEU  12           HB2      LEU  12  79.572   0.258  -2.706
   89   2HB   LEU  12           HB1      LEU  12  78.598  -0.495  -3.970
   90    HG   LEU  12           HG       LEU  12  78.921  -1.562  -1.149
   91   1HD1  LEU  12          HD13      LEU  12  77.298   0.535  -2.136
   92   2HD1  LEU  12          HD12      LEU  12  76.234  -0.856  -1.927
   93   3HD1  LEU  12          HD11      LEU  12  77.182  -0.258  -0.566
   94   1HD2  LEU  12          HD22      LEU  12  77.323  -2.470  -3.557
   95   2HD2  LEU  12          HD21      LEU  12  78.537  -3.385  -2.665
   96   3HD2  LEU  12          HD23      LEU  12  76.981  -3.023  -1.918
   97    H    THR  13           HN       THR  13  80.441  -2.426  -5.849
   98    HA   THR  13           HA       THR  13  82.815  -1.053  -6.745
   99    HB   THR  13           HB       THR  13  82.069  -1.929  -8.939
  100    HG1  THR  13           HG1      THR  13  80.052  -2.892  -9.082
  101   1HG2  THR  13          HG22      THR  13  82.179  -3.527  -6.465
  102   2HG2  THR  13          HG21      THR  13  81.404  -4.341  -7.824
  103   3HG2  THR  13          HG23      THR  13  83.052  -3.738  -7.983
  104    H    GLU  14           HN       GLU  14  82.900   0.709  -8.300
  105    HA   GLU  14           HA       GLU  14  81.207   2.934  -7.740
  106   1HB   GLU  14           HB2      GLU  14  83.573   2.379  -9.083
  107   2HB   GLU  14           HB1      GLU  14  82.495   2.907 -10.376
  108   1HG   GLU  14           HG2      GLU  14  81.877   4.842  -8.731
  109   2HG   GLU  14           HG1      GLU  14  83.393   4.419  -7.937
  110    H    GLU  15           HN       GLU  15  81.077   0.461 -10.286
  111    HA   GLU  15           HA       GLU  15  79.057   1.710 -11.905
  112   1HB   GLU  15           HB2      GLU  15  78.874  -0.567 -12.845
  113   2HB   GLU  15           HB1      GLU  15  80.566  -0.132 -12.596
  114   1HG   GLU  15           HG2      GLU  15  80.564  -1.353 -10.449
  115   2HG   GLU  15           HG1      GLU  15  78.877  -1.799 -10.708
  116    H    GLN  16           HN       GLN  16  78.915   0.076  -8.850
  117    HA   GLN  16           HA       GLN  16  76.101  -0.717  -9.055
  118   1HB   GLN  16           HB2      GLN  16  77.910  -1.841  -7.694
  119   2HB   GLN  16           HB1      GLN  16  77.905  -0.431  -6.634
  120   1HG   GLN  16           HG2      GLN  16  75.850  -0.941  -5.732
  121   2HG   GLN  16           HG1      GLN  16  75.273  -1.706  -7.212
  122   1HE2  GLN  16          HE22      GLN  16  77.974  -4.130  -5.359
  123   2HE2  GLN  16          HE21      GLN  16  78.422  -2.580  -5.889
  124    H    LYS  17           HN       LYS  17  77.738   1.511  -6.769
  125    HA   LYS  17           HA       LYS  17  75.435   2.867  -5.876
  126   1HB   LYS  17           HB2      LYS  17  78.328   3.683  -6.245
  127   2HB   LYS  17           HB1      LYS  17  77.157   4.710  -5.416
  128   1HG   LYS  17           HG2      LYS  17  77.055   3.348  -3.583
  129   2HG   LYS  17           HG1      LYS  17  77.230   1.877  -4.542
  130   1HD   LYS  17           HD2      LYS  17  79.387   1.793  -3.904
  131   2HD   LYS  17           HD1      LYS  17  79.665   3.264  -4.837
  132   1HE   LYS  17           HE2      LYS  17  79.294   4.664  -2.931
  133   2HE   LYS  17           HE1      LYS  17  78.614   3.319  -1.991
  134   1HZ   LYS  17           HZ1      LYS  17  81.243   2.854  -3.129
  135   2HZ   LYS  17           HZ3      LYS  17  81.193   4.021  -1.900
  136   3HZ   LYS  17           HZ2      LYS  17  80.636   2.445  -1.596
  137    H    ASN  18           HN       ASN  18  77.177   3.187  -8.896
  138    HA   ASN  18           HA       ASN  18  76.231   5.807  -9.644
  139   1HB   ASN  18           HB2      ASN  18  77.654   3.504 -10.782
  140   2HB   ASN  18           HB1      ASN  18  76.669   4.359 -11.970
  141   1HD2  ASN  18          HD22      ASN  18  79.904   6.134 -11.959
  142   2HD2  ASN  18          HD21      ASN  18  79.310   4.626 -12.463
  143    H    GLU  19           HN       GLU  19  74.871   2.563  -9.876
  144    HA   GLU  19           HA       GLU  19  72.661   3.436 -11.627
  145   1HB   GLU  19           HB2      GLU  19  73.856   0.954 -10.572
  146   2HB   GLU  19           HB1      GLU  19  72.098   0.898 -10.717
  147   1HG   GLU  19           HG2      GLU  19  72.721   0.235 -12.853
  148   2HG   GLU  19           HG1      GLU  19  72.580   1.978 -13.085
  149    H    PHE  20           HN       PHE  20  73.314   3.101  -8.228
  150    HA   PHE  20           HA       PHE  20  70.505   2.891  -7.419
  151   1HB   PHE  20           HB2      PHE  20  73.074   3.510  -5.925
  152   2HB   PHE  20           HB1      PHE  20  71.529   3.151  -5.159
  153    HD1  PHE  20           HD1      PHE  20  71.284   1.215  -7.943
  154    HD2  PHE  20           HD2      PHE  20  73.647   1.436  -4.361
  155    HE1  PHE  20           HE1      PHE  20  71.767  -1.210  -8.111
  156    HE2  PHE  20           HE2      PHE  20  74.129  -0.990  -4.530
  157    HZ   PHE  20           HZ       PHE  20  73.190  -2.314  -6.405
  158    H    LYS  21           HN       LYS  21  72.911   5.460  -7.809
  159    HA   LYS  21           HA       LYS  21  71.616   7.570  -6.420
  160   1HB   LYS  21           HB2      LYS  21  73.921   7.416  -7.566
  161   2HB   LYS  21           HB1      LYS  21  73.075   7.821  -9.060
  162   1HG   LYS  21           HG2      LYS  21  72.095   9.814  -7.733
  163   2HG   LYS  21           HG1      LYS  21  73.382   9.492  -6.569
  164   1HD   LYS  21           HD2      LYS  21  74.708   9.418  -9.004
  165   2HD   LYS  21           HD1      LYS  21  73.544  10.725  -9.220
  166   1HE   LYS  21           HE2      LYS  21  75.239  10.552  -6.721
  167   2HE   LYS  21           HE1      LYS  21  75.823  11.370  -8.183
  168   1HZ   LYS  21           HZ1      LYS  21  73.484  12.437  -8.154
  169   2HZ   LYS  21           HZ3      LYS  21  73.483  12.015  -6.512
  170   3HZ   LYS  21           HZ2      LYS  21  74.683  13.053  -7.120
  171    H    ALA  22           HN       ALA  22  71.342   6.659  -9.877
  172    HA   ALA  22           HA       ALA  22  69.312   8.553 -10.554
  173   1HB   ALA  22           HB2      ALA  22  70.056   5.816 -11.635
  174   2HB   ALA  22           HB1      ALA  22  68.961   6.928 -12.457
  175   3HB   ALA  22           HB3      ALA  22  70.650   7.375 -12.207
  176    H    ALA  23           HN       ALA  23  69.016   5.061  -9.771
  177    HA   ALA  23           HA       ALA  23  66.204   4.859  -9.789
  178   1HB   ALA  23           HB3      ALA  23  68.351   3.250  -9.260
  179   2HB   ALA  23           HB2      ALA  23  67.662   3.423  -7.646
  180   3HB   ALA  23           HB1      ALA  23  66.678   2.777  -8.959
  181    H    PHE  24           HN       PHE  24  68.368   5.804  -7.105
  182    HA   PHE  24           HA       PHE  24  66.555   6.045  -4.998
  183   1HB   PHE  24           HB2      PHE  24  68.932   6.452  -4.768
  184   2HB   PHE  24           HB1      PHE  24  68.853   7.818  -5.882
  185    HD1  PHE  24           HD1      PHE  24  67.305   9.794  -5.225
  186    HD2  PHE  24           HD2      PHE  24  68.644   6.790  -2.462
  187    HE1  PHE  24           HE1      PHE  24  66.791  11.309  -3.329
  188    HE2  PHE  24           HE2      PHE  24  68.129   8.305  -0.566
  189    HZ   PHE  24           HZ       PHE  24  67.203  10.563  -1.000
  190    H    ASP  25           HN       ASP  25  67.255   8.496  -7.511
  191    HA   ASP  25           HA       ASP  25  65.303  10.402  -6.578
  192   1HB   ASP  25           HB2      ASP  25  66.816   9.901  -9.144
  193   2HB   ASP  25           HB1      ASP  25  65.685  11.245  -8.995
  194    H    ILE  26           HN       ILE  26  64.876   7.379  -8.062
  195    HA   ILE  26           HA       ILE  26  62.487   8.136  -9.616
  196    HB   ILE  26           HB       ILE  26  63.839   5.500  -8.985
  197   1HG1  ILE  26          HG12      ILE  26  64.023   7.531 -11.203
  198   2HG1  ILE  26          HG11      ILE  26  65.328   6.729 -10.332
  199   1HG2  ILE  26          HG21      ILE  26  61.253   5.777  -9.744
  200   2HG2  ILE  26          HG23      ILE  26  62.041   5.801 -11.321
  201   3HG2  ILE  26          HG22      ILE  26  62.267   4.424 -10.243
  202   1HD1  ILE  26          HD13      ILE  26  64.604   4.563 -11.401
  203   2HD1  ILE  26          HD12      ILE  26  63.479   5.495 -12.388
  204   3HD1  ILE  26          HD11      ILE  26  65.216   5.760 -12.542
  205    H    PHE  27           HN       PHE  27  63.246   6.317  -6.626
  206    HA   PHE  27           HA       PHE  27  60.486   5.586  -6.106
  207   1HB   PHE  27           HB2      PHE  27  62.768   5.814  -4.133
  208   2HB   PHE  27           HB1      PHE  27  61.420   4.677  -4.104
  209    HD1  PHE  27           HD2      PHE  27  61.194   3.203  -6.332
  210    HD2  PHE  27           HD1      PHE  27  64.815   5.046  -4.937
  211    HE1  PHE  27           HE2      PHE  27  62.529   1.587  -7.661
  212    HE2  PHE  27           HE1      PHE  27  66.149   3.432  -6.266
  213    HZ   PHE  27           HZ       PHE  27  65.006   1.703  -7.627
  214    H    VAL  28           HN       VAL  28  62.428   8.421  -5.508
  215    HA   VAL  28           HA       VAL  28  60.552   9.472  -3.467
  216    HB   VAL  28           HB       VAL  28  62.276  11.160  -3.224
  217   1HG1  VAL  28          HG12      VAL  28  62.651   8.558  -2.658
  218   2HG1  VAL  28          HG11      VAL  28  63.990   8.796  -3.781
  219   3HG1  VAL  28          HG13      VAL  28  63.876   9.781  -2.324
  220   1HG2  VAL  28          HG22      VAL  28  62.906  10.293  -5.970
  221   2HG2  VAL  28          HG21      VAL  28  63.142  11.865  -5.208
  222   3HG2  VAL  28          HG23      VAL  28  64.319  10.577  -4.954
  223    H    LEU  29           HN       LEU  29  60.049   9.119  -6.534
  224    HA   LEU  29           HA       LEU  29  59.919  11.579  -7.882
  225   1HB   LEU  29           HB2      LEU  29  58.914   8.927  -8.091
  226   2HB   LEU  29           HB1      LEU  29  57.551  10.015  -8.354
  227    HG   LEU  29           HG       LEU  29  58.675   9.572 -10.482
  228   1HD1  LEU  29          HD11      LEU  29  58.668  12.264  -9.233
  229   2HD1  LEU  29          HD13      LEU  29  59.603  12.110 -10.722
  230   3HD1  LEU  29          HD12      LEU  29  57.885  11.706 -10.712
  231   1HD2  LEU  29          HD22      LEU  29  60.959   9.385  -9.015
  232   2HD2  LEU  29          HD21      LEU  29  60.946   9.627 -10.762
  233   3HD2  LEU  29          HD23      LEU  29  61.145  11.007  -9.682
  234    H    GLY  30           HN       GLY  30  57.618  10.222  -5.518
  235   1HA   GLY  30           HA2      GLY  30  56.015  12.721  -5.695
  236   2HA   GLY  30           HA1      GLY  30  55.492  11.228  -4.916
  237    H    ALA  31           HN       ALA  31  58.421  11.245  -3.756
  238    HA   ALA  31           HA       ALA  31  57.901  11.955  -1.127
  239   1HB   ALA  31           HB1      ALA  31  59.968  10.909  -2.204
  240   2HB   ALA  31           HB3      ALA  31  60.499  12.552  -2.565
  241   3HB   ALA  31           HB2      ALA  31  60.289  12.042  -0.890
  242    H    GLU  32           HN       GLU  32  58.773  13.927   0.085
  243    HA   GLU  32           HA       GLU  32  57.875  16.388  -1.318
  244   1HB   GLU  32           HB2      GLU  32  57.708  17.267   0.948
  245   2HB   GLU  32           HB1      GLU  32  56.981  15.661   0.914
  246   1HG   GLU  32           HG2      GLU  32  59.855  15.593   1.481
  247   2HG   GLU  32           HG1      GLU  32  58.941  16.499   2.684
  248    H    ASP  33           HN       ASP  33  60.767  14.833  -0.184
  249    HA   ASP  33           HA       ASP  33  62.326  17.306  -0.865
  250   1HB   ASP  33           HB2      ASP  33  63.852  16.602   0.993
  251   2HB   ASP  33           HB1      ASP  33  62.221  16.972   1.554
  252    H    GLY  34           HN       GLY  34  61.792  13.988  -1.453
  253   1HA   GLY  34           HA2      GLY  34  62.907  12.981  -3.405
  254   2HA   GLY  34           HA1      GLY  34  64.377  13.839  -2.940
  255    H    CYS  35           HN       CYS  35  62.226  12.068  -0.754
  256    HA   CYS  35           HA       CYS  35  64.525  10.244  -0.134
  257   1HB   CYS  35           HB2      CYS  35  62.193  11.303   1.488
  258   2HB   CYS  35           HB1      CYS  35  63.297  10.062   2.080
  259    HG   CYS  35           HG       CYS  35  65.149  11.758   2.282
  260    H    ILE  36           HN       ILE  36  64.050   7.992   0.127
  261    HA   ILE  36           HA       ILE  36  61.624   7.086  -1.331
  262    HB   ILE  36           HB       ILE  36  63.833   5.328  -0.267
  263   1HG1  ILE  36          HG12      ILE  36  63.984   7.080  -2.746
  264   2HG1  ILE  36          HG11      ILE  36  64.974   7.262  -1.298
  265   1HG2  ILE  36          HG22      ILE  36  61.734   5.253  -2.355
  266   2HG2  ILE  36          HG21      ILE  36  63.291   4.577  -2.832
  267   3HG2  ILE  36          HG23      ILE  36  62.444   3.934  -1.424
  268   1HD1  ILE  36          HD11      ILE  36  64.907   4.774  -3.029
  269   2HD1  ILE  36          HD13      ILE  36  66.150   6.022  -3.117
  270   3HD1  ILE  36          HD12      ILE  36  65.967   5.064  -1.648
  271    H    SER  37           HN       SER  37  60.090   7.511   0.418
  272    HA   SER  37           HA       SER  37  60.302   6.619   3.096
  273   1HB   SER  37           HB2      SER  37  58.154   7.400   3.169
  274   2HB   SER  37           HB1      SER  37  58.510   7.963   1.539
  275    HG   SER  37           HG       SER  37  57.377   6.336   0.714
  276    H    THR  38           HN       THR  38  58.716   4.820   3.960
  277    HA   THR  38           HA       THR  38  59.574   2.276   2.795
  278    HB   THR  38           HB       THR  38  59.481   2.548   5.194
  279    HG1  THR  38           HG1      THR  38  57.426   1.034   5.442
  280   1HG2  THR  38          HG21      THR  38  56.795   3.667   4.546
  281   2HG2  THR  38          HG23      THR  38  56.977   2.825   6.085
  282   3HG2  THR  38          HG22      THR  38  57.990   4.222   5.718
  283    H    LYS  39           HN       LYS  39  56.663   4.249   2.782
  284    HA   LYS  39           HA       LYS  39  54.764   2.271   1.979
  285   1HB   LYS  39           HB2      LYS  39  55.045   5.162   2.185
  286   2HB   LYS  39           HB1      LYS  39  54.088   4.714   0.772
  287   1HG   LYS  39           HG2      LYS  39  53.082   3.016   2.679
  288   2HG   LYS  39           HG1      LYS  39  53.443   4.452   3.636
  289   1HD   LYS  39           HD2      LYS  39  52.269   5.732   1.673
  290   2HD   LYS  39           HD1      LYS  39  51.564   4.157   1.310
  291   1HE   LYS  39           HE2      LYS  39  49.992   5.135   2.792
  292   2HE   LYS  39           HE1      LYS  39  50.967   4.109   3.862
  293   1HZ   LYS  39           HZ2      LYS  39  52.483   6.155   4.010
  294   2HZ   LYS  39           HZ1      LYS  39  51.137   7.027   3.448
  295   3HZ   LYS  39           HZ3      LYS  39  51.039   6.166   4.906
  296    H    GLU  40           HN       GLU  40  57.150   4.146   0.173
  297    HA   GLU  40           HA       GLU  40  56.235   2.865  -2.373
  298   1HB   GLU  40           HB2      GLU  40  57.913   5.301  -1.703
  299   2HB   GLU  40           HB1      GLU  40  57.681   4.712  -3.350
  300   1HG   GLU  40           HG2      GLU  40  55.539   5.683  -1.439
  301   2HG   GLU  40           HG1      GLU  40  56.037   6.438  -2.954
  302    H    LEU  41           HN       LEU  41  58.246   2.097   0.026
  303    HA   LEU  41           HA       LEU  41  60.796   1.715  -1.306
  304   1HB   LEU  41           HB2      LEU  41  60.406   1.930   1.154
  305   2HB   LEU  41           HB1      LEU  41  59.577   0.374   1.130
  306    HG   LEU  41           HG       LEU  41  62.043   0.319   1.805
  307   1HD1  LEU  41          HD13      LEU  41  60.468  -1.463   0.353
  308   2HD1  LEU  41          HD12      LEU  41  61.984  -1.409  -0.547
  309   3HD1  LEU  41          HD11      LEU  41  61.988  -1.845   1.162
  310   1HD2  LEU  41          HD23      LEU  41  62.484   1.949  -0.258
  311   2HD2  LEU  41          HD22      LEU  41  63.703   0.780   0.253
  312   3HD2  LEU  41          HD21      LEU  41  62.659   0.422  -1.123
  313    H    GLY  42           HN       GLY  42  58.117  -0.510  -0.445
  314   1HA   GLY  42           HA2      GLY  42  59.114  -2.917  -1.392
  315   2HA   GLY  42           HA1      GLY  42  57.415  -2.469  -1.559
  316    H    LYS  43           HN       LYS  43  57.427  -0.459  -3.375
  317    HA   LYS  43           HA       LYS  43  57.556  -1.668  -5.889
  318   1HB   LYS  43           HB2      LYS  43  58.037   1.221  -5.087
  319   2HB   LYS  43           HB1      LYS  43  57.606   0.687  -6.712
  320   1HG   LYS  43           HG2      LYS  43  55.600  -0.491  -5.501
  321   2HG   LYS  43           HG1      LYS  43  55.940   0.665  -4.213
  322   1HD   LYS  43           HD2      LYS  43  54.649   2.107  -5.386
  323   2HD   LYS  43           HD1      LYS  43  56.024   2.242  -6.483
  324   1HE   LYS  43           HE2      LYS  43  55.087   0.238  -7.743
  325   2HE   LYS  43           HE1      LYS  43  53.619   0.414  -6.762
  326   1HZ   LYS  43           HZ2      LYS  43  53.920   2.912  -7.429
  327   2HZ   LYS  43           HZ1      LYS  43  54.750   2.248  -8.754
  328   3HZ   LYS  43           HZ3      LYS  43  53.130   1.830  -8.474
  329    H    VAL  44           HN       VAL  44  60.159  -0.109  -4.067
  330    HA   VAL  44           HA       VAL  44  62.065  -0.077  -6.258
  331    HB   VAL  44           HB       VAL  44  62.635  -0.107  -3.286
  332   1HG1  VAL  44          HG11      VAL  44  64.162   0.349  -5.667
  333   2HG1  VAL  44          HG13      VAL  44  64.064   1.865  -4.770
  334   3HG1  VAL  44          HG12      VAL  44  64.705   0.417  -3.991
  335   1HG2  VAL  44          HG22      VAL  44  61.077   1.813  -4.890
  336   2HG2  VAL  44          HG21      VAL  44  61.166   1.623  -3.139
  337   3HG2  VAL  44          HG23      VAL  44  62.403   2.547  -3.989
  338    H    MET  45           HN       MET  45  61.699  -2.172  -3.366
  339    HA   MET  45           HA       MET  45  63.811  -3.982  -3.983
  340   1HB   MET  45           HB2      MET  45  61.223  -4.140  -2.430
  341   2HB   MET  45           HB1      MET  45  62.339  -5.504  -2.495
  342   1HG   MET  45           HG2      MET  45  63.580  -2.888  -1.878
  343   2HG   MET  45           HG1      MET  45  62.498  -3.520  -0.637
  344   1HE   MET  45           HE1      MET  45  65.709  -2.944  -1.163
  345   2HE   MET  45           HE3      MET  45  66.729  -4.388  -1.076
  346   3HE   MET  45           HE2      MET  45  65.889  -3.987  -2.573
  347    H    ARG  46           HN       ARG  46  60.509  -3.757  -5.185
  348    HA   ARG  46           HA       ARG  46  60.338  -6.419  -6.296
  349   1HB   ARG  46           HB2      ARG  46  58.746  -4.114  -5.973
  350   2HB   ARG  46           HB1      ARG  46  58.822  -4.390  -7.714
  351   1HG   ARG  46           HG2      ARG  46  58.080  -6.698  -7.419
  352   2HG   ARG  46           HG1      ARG  46  58.101  -6.508  -5.666
  353   1HD   ARG  46           HD2      ARG  46  56.295  -4.907  -5.735
  354   2HD   ARG  46           HD1      ARG  46  56.382  -4.810  -7.505
  355    HE   ARG  46           HE       ARG  46  55.907  -7.395  -7.336
  356   1HH1  ARG  46          HH21      ARG  46  55.388  -7.188  -4.363
  357   2HH1  ARG  46          HH22      ARG  46  53.662  -7.044  -4.320
  358   1HH2  ARG  46          HH11      ARG  46  53.382  -6.228  -7.680
  359   2HH2  ARG  46          HH12      ARG  46  52.526  -6.499  -6.198
  360    H    MET  47           HN       MET  47  61.097  -3.240  -7.773
  361    HA   MET  47           HA       MET  47  61.791  -4.456 -10.342
  362   1HB   MET  47           HB2      MET  47  62.161  -2.169 -10.987
  363   2HB   MET  47           HB1      MET  47  60.780  -2.159  -9.889
  364   1HG   MET  47           HG2      MET  47  62.050  -0.453  -8.965
  365   2HG   MET  47           HG1      MET  47  62.665  -1.831  -8.054
  366   1HE   MET  47           HE1      MET  47  62.936   0.463 -10.971
  367   2HE   MET  47           HE3      MET  47  63.859   1.289  -9.708
  368   3HE   MET  47           HE2      MET  47  64.661   0.751 -11.182
  369    H    LEU  48           HN       LEU  48  63.519  -3.380  -7.454
  370    HA   LEU  48           HA       LEU  48  66.159  -3.249  -8.540
  371   1HB   LEU  48           HB2      LEU  48  64.840  -3.542  -5.892
  372   2HB   LEU  48           HB1      LEU  48  66.537  -4.015  -5.968
  373    HG   LEU  48           HG       LEU  48  65.558  -1.386  -7.090
  374   1HD1  LEU  48          HD13      LEU  48  66.562  -2.016  -4.299
  375   2HD1  LEU  48          HD12      LEU  48  66.415  -0.386  -4.955
  376   3HD1  LEU  48          HD11      LEU  48  64.975  -1.380  -4.729
  377   1HD2  LEU  48          HD21      LEU  48  68.144  -2.773  -6.697
  378   2HD2  LEU  48          HD23      LEU  48  67.694  -1.549  -7.884
  379   3HD2  LEU  48          HD22      LEU  48  68.135  -1.069  -6.246
  380    H    GLY  49           HN       GLY  49  64.185  -5.981  -7.480
  381   1HA   GLY  49           HA2      GLY  49  64.843  -8.120  -8.718
  382   2HA   GLY  49           HA1      GLY  49  66.474  -7.793  -8.133
  383    H    GLN  50           HN       GLN  50  64.148  -6.868  -5.850
  384    HA   GLN  50           HA       GLN  50  64.634  -9.401  -4.322
  385   1HB   GLN  50           HB2      GLN  50  63.988  -6.586  -3.382
  386   2HB   GLN  50           HB1      GLN  50  64.410  -7.952  -2.347
  387   1HG   GLN  50           HG2      GLN  50  66.273  -7.148  -4.561
  388   2HG   GLN  50           HG1      GLN  50  66.276  -6.237  -3.050
  389   1HE2  GLN  50          HE22      GLN  50  68.736  -8.903  -2.471
  390   2HE2  GLN  50          HE21      GLN  50  68.620  -7.455  -3.349
  391    H    ASN  51           HN       ASN  51  62.766  -9.704  -2.608
  392    HA   ASN  51           HA       ASN  51  60.114  -8.912  -3.714
  393   1HB   ASN  51           HB2      ASN  51  61.303 -11.264  -4.408
  394   2HB   ASN  51           HB1      ASN  51  60.438 -11.761  -2.953
  395   1HD2  ASN  51          HD22      ASN  51  58.368 -11.083  -6.354
  396   2HD2  ASN  51          HD21      ASN  51  60.064 -11.031  -6.308
  397    HA   PRO  52           HA       PRO  52  60.498  -9.109   0.954
  398   1HB   PRO  52           HB2      PRO  52  60.103  -6.446   1.440
  399   2HB   PRO  52           HB1      PRO  52  61.710  -7.149   1.165
  400   1HG   PRO  52           HG2      PRO  52  59.970  -5.617  -0.695
  401   2HG   PRO  52           HG1      PRO  52  61.731  -5.601  -0.522
  402   1HD   PRO  52           HD2      PRO  52  60.391  -6.936  -2.509
  403   2HD   PRO  52           HD1      PRO  52  62.010  -7.376  -1.925
  404    H    THR  53           HN       THR  53  58.687  -8.559   2.488
  405    HA   THR  53           HA       THR  53  56.074  -8.572   1.055
  406    HB   THR  53           HB       THR  53  55.581  -9.039   3.714
  407    HG1  THR  53           HG1      THR  53  57.292 -10.245   4.487
  408   1HG2  THR  53          HG21      THR  53  55.333 -10.413   1.406
  409   2HG2  THR  53          HG23      THR  53  56.619 -11.352   2.166
  410   3HG2  THR  53          HG22      THR  53  55.071 -11.149   2.988
  411    HA   PRO  54           HA       PRO  54  54.863  -4.622   2.533
  412   1HB   PRO  54           HB2      PRO  54  52.331  -5.024   3.489
  413   2HB   PRO  54           HB1      PRO  54  52.724  -5.053   1.759
  414   1HG   PRO  54           HG2      PRO  54  52.281  -7.316   3.635
  415   2HG   PRO  54           HG1      PRO  54  51.813  -7.147   1.937
  416   1HD   PRO  54           HD2      PRO  54  53.967  -8.606   2.784
  417   2HD   PRO  54           HD1      PRO  54  53.841  -7.870   1.171
  418    H    GLU  55           HN       GLU  55  54.170  -7.228   4.863
  419    HA   GLU  55           HA       GLU  55  54.078  -5.490   7.185
  420   1HB   GLU  55           HB2      GLU  55  53.934  -8.340   6.479
  421   2HB   GLU  55           HB1      GLU  55  54.682  -8.047   8.050
  422   1HG   GLU  55           HG2      GLU  55  52.655  -7.668   8.943
  423   2HG   GLU  55           HG1      GLU  55  52.419  -6.321   7.830
  424    H    GLU  56           HN       GLU  56  56.626  -7.235   5.481
  425    HA   GLU  56           HA       GLU  56  58.602  -6.875   7.620
  426   1HB   GLU  56           HB2      GLU  56  58.479  -7.974   4.829
  427   2HB   GLU  56           HB1      GLU  56  60.058  -7.634   5.538
  428   1HG   GLU  56           HG2      GLU  56  58.027  -9.184   7.118
  429   2HG   GLU  56           HG1      GLU  56  58.981 -10.003   5.880
  430    H    LEU  57           HN       LEU  57  57.625  -5.201   4.677
  431    HA   LEU  57           HA       LEU  57  59.761  -3.608   3.980
  432   1HB   LEU  57           HB2      LEU  57  56.952  -3.605   3.734
  433   2HB   LEU  57           HB1      LEU  57  57.376  -1.992   4.308
  434    HG   LEU  57           HG       LEU  57  59.075  -1.830   2.492
  435   1HD1  LEU  57          HD12      LEU  57  59.136  -4.453   2.360
  436   2HD1  LEU  57          HD11      LEU  57  57.801  -4.242   1.227
  437   3HD1  LEU  57          HD13      LEU  57  59.369  -3.508   0.889
  438   1HD2  LEU  57          HD23      LEU  57  56.168  -2.318   1.861
  439   2HD2  LEU  57          HD22      LEU  57  57.037  -0.786   1.938
  440   3HD2  LEU  57          HD21      LEU  57  57.301  -1.882   0.581
  441    H    GLN  58           HN       GLN  58  57.374  -2.527   6.432
  442    HA   GLN  58           HA       GLN  58  58.950  -0.367   7.428
  443   1HB   GLN  58           HB2      GLN  58  56.422  -1.148   7.684
  444   2HB   GLN  58           HB1      GLN  58  57.037  -1.894   9.159
  445   1HG   GLN  58           HG2      GLN  58  57.239   1.033   8.397
  446   2HG   GLN  58           HG1      GLN  58  56.251   0.348   9.687
  447   1HE2  GLN  58          HE22      GLN  58  60.170   1.109  10.361
  448   2HE2  GLN  58          HE21      GLN  58  59.436   1.480   8.876
  449    H    GLU  59           HN       GLU  59  58.277  -3.473   9.098
  450    HA   GLU  59           HA       GLU  59  60.072  -3.291  11.207
  451   1HB   GLU  59           HB2      GLU  59  58.519  -5.240   9.911
  452   2HB   GLU  59           HB1      GLU  59  60.144  -5.921   9.970
  453   1HG   GLU  59           HG2      GLU  59  59.661  -6.507  12.100
  454   2HG   GLU  59           HG1      GLU  59  59.844  -4.796  12.486
  455    H    MET  60           HN       MET  60  60.828  -3.849   7.814
  456    HA   MET  60           HA       MET  60  63.544  -4.779   8.224
  457   1HB   MET  60           HB2      MET  60  61.731  -3.965   6.033
  458   2HB   MET  60           HB1      MET  60  63.448  -3.737   5.698
  459   1HG   MET  60           HG2      MET  60  63.705  -6.156   6.643
  460   2HG   MET  60           HG1      MET  60  61.973  -6.282   6.331
  461   1HE   MET  60           HE2      MET  60  63.790  -8.067   5.483
  462   2HE   MET  60           HE1      MET  60  62.928  -8.421   3.987
  463   3HE   MET  60           HE3      MET  60  64.636  -7.965   3.941
  464    H    ILE  61           HN       ILE  61  62.636  -1.785   6.518
  465    HA   ILE  61           HA       ILE  61  64.970  -0.352   6.704
  466    HB   ILE  61           HB       ILE  61  62.109   0.569   7.101
  467   1HG1  ILE  61          HG12      ILE  61  63.824   0.725   4.616
  468   2HG1  ILE  61          HG11      ILE  61  62.859  -0.705   4.984
  469   1HG2  ILE  61          HG23      ILE  61  63.733   2.280   7.874
  470   2HG2  ILE  61          HG22      ILE  61  64.557   2.184   6.318
  471   3HG2  ILE  61          HG21      ILE  61  62.903   2.788   6.404
  472   1HD1  ILE  61          HD12      ILE  61  61.313   1.742   5.313
  473   2HD1  ILE  61          HD11      ILE  61  61.962   1.598   3.680
  474   3HD1  ILE  61          HD13      ILE  61  60.951   0.315   4.342
  475    H    ASP  62           HN       ASP  62  62.790  -1.061   9.371
  476    HA   ASP  62           HA       ASP  62  63.722   0.926  11.222
  477   1HB   ASP  62           HB2      ASP  62  61.705  -0.813  11.161
  478   2HB   ASP  62           HB1      ASP  62  62.835  -1.801  12.089
  479    H    GLU  63           HN       GLU  63  65.359  -1.719   9.864
  480    HA   GLU  63           HA       GLU  63  67.015  -2.320  12.232
  481   1HB   GLU  63           HB2      GLU  63  67.927  -4.024  10.815
  482   2HB   GLU  63           HB1      GLU  63  66.208  -3.949  10.427
  483   1HG   GLU  63           HG2      GLU  63  66.890  -2.271   8.585
  484   2HG   GLU  63           HG1      GLU  63  68.534  -2.853   8.846
  485    H    VAL  64           HN       VAL  64  67.223  -0.415   9.264
  486    HA   VAL  64           HA       VAL  64  70.056   0.290   9.937
  487    HB   VAL  64           HB       VAL  64  69.567  -0.684   7.711
  488   1HG1  VAL  64          HG12      VAL  64  67.598   1.588   7.664
  489   2HG1  VAL  64          HG11      VAL  64  68.281   0.988   6.153
  490   3HG1  VAL  64          HG13      VAL  64  67.362  -0.096   7.197
  491   1HG2  VAL  64          HG23      VAL  64  70.522   2.139   8.016
  492   2HG2  VAL  64          HG22      VAL  64  71.419   0.703   7.524
  493   3HG2  VAL  64          HG21      VAL  64  70.327   1.493   6.385
  494    H    ASP  65           HN       ASP  65  66.819   1.535   9.792
  495    HA   ASP  65           HA       ASP  65  67.199   4.287   9.330
  496   1HB   ASP  65           HB2      ASP  65  65.155   2.627  10.023
  497   2HB   ASP  65           HB1      ASP  65  65.382   3.498  11.539
  498    H    GLU  66           HN       GLU  66  69.289   4.842  10.296
  499    HA   GLU  66           HA       GLU  66  69.802   4.559  13.131
  500   1HB   GLU  66           HB2      GLU  66  70.971   6.031  10.784
  501   2HB   GLU  66           HB1      GLU  66  71.557   6.389  12.409
  502   1HG   GLU  66           HG2      GLU  66  72.350   4.199  12.742
  503   2HG   GLU  66           HG1      GLU  66  71.346   3.542  11.449
  504    H    ASP  67           HN       ASP  67  68.710   7.283  11.084
  505    HA   ASP  67           HA       ASP  67  68.473   9.119  13.341
  506   1HB   ASP  67           HB2      ASP  67  67.456  10.557  11.579
  507   2HB   ASP  67           HB1      ASP  67  68.970   9.832  11.038
  508    H    GLY  68           HN       GLY  68  66.674   6.458  12.500
  509   1HA   GLY  68           HA2      GLY  68  64.438   5.808  12.864
  510   2HA   GLY  68           HA1      GLY  68  64.586   6.818  14.304
  511    H    SER  69           HN       SER  69  64.460   7.558  10.802
  512    HA   SER  69           HA       SER  69  62.490   9.712  11.416
  513   1HB   SER  69           HB2      SER  69  63.119  10.153   8.888
  514   2HB   SER  69           HB1      SER  69  64.268  10.558  10.159
  515    HG   SER  69           HG       SER  69  64.182   8.212   8.561
  516    H    GLY  70           HN       GLY  70  62.931   6.819   9.393
  517   1HA   GLY  70           HA2      GLY  70  60.880   5.400   9.097
  518   2HA   GLY  70           HA1      GLY  70  59.995   6.901   8.818
  519    H    THR  71           HN       THR  71  62.350   7.982   7.266
  520    HA   THR  71           HA       THR  71  61.627   6.708   4.676
  521    HB   THR  71           HB       THR  71  62.387   8.779   3.743
  522    HG1  THR  71           HG1      THR  71  64.282   9.176   4.688
  523   1HG2  THR  71          HG23      THR  71  60.423   8.697   5.661
  524   2HG2  THR  71          HG22      THR  71  61.451  10.003   6.251
  525   3HG2  THR  71          HG21      THR  71  60.761  10.087   4.629
  526    H    VAL  72           HN       VAL  72  63.438   6.326   3.105
  527    HA   VAL  72           HA       VAL  72  65.920   5.423   4.520
  528    HB   VAL  72           HB       VAL  72  64.739   4.416   1.918
  529   1HG1  VAL  72          HG11      VAL  72  67.210   4.015   3.031
  530   2HG1  VAL  72          HG13      VAL  72  66.300   2.657   3.694
  531   3HG1  VAL  72          HG12      VAL  72  66.406   2.878   1.947
  532   1HG2  VAL  72          HG23      VAL  72  63.653   4.167   4.529
  533   2HG2  VAL  72          HG22      VAL  72  63.163   3.294   3.077
  534   3HG2  VAL  72          HG21      VAL  72  64.393   2.614   4.142
  535    H    ASP  73           HN       ASP  73  67.463   6.985   4.121
  536    HA   ASP  73           HA       ASP  73  67.516   8.429   1.541
  537   1HB   ASP  73           HB2      ASP  73  68.702   8.619   4.263
  538   2HB   ASP  73           HB1      ASP  73  69.673   9.281   2.947
  539    H    PHE  74           HN       PHE  74  69.784   8.627   0.498
  540    HA   PHE  74           HA       PHE  74  70.699   6.264  -0.612
  541   1HB   PHE  74           HB2      PHE  74  71.351   8.879  -0.765
  542   2HB   PHE  74           HB1      PHE  74  72.757   8.291   0.122
  543    HD1  PHE  74           HD2      PHE  74  72.664   5.440  -1.077
  544    HD2  PHE  74           HD1      PHE  74  72.519   9.353  -2.840
  545    HE1  PHE  74           HE2      PHE  74  73.614   4.528  -3.179
  546    HE2  PHE  74           HE1      PHE  74  73.470   8.441  -4.942
  547    HZ   PHE  74           HZ       PHE  74  74.017   6.029  -5.111
  548    H    ASP  75           HN       ASP  75  72.042   7.806   2.334
  549    HA   ASP  75           HA       ASP  75  74.040   5.927   2.956
  550   1HB   ASP  75           HB2      ASP  75  72.428   7.982   4.284
  551   2HB   ASP  75           HB1      ASP  75  72.939   6.705   5.389
  552    H    GLU  76           HN       GLU  76  70.562   5.829   3.775
  553    HA   GLU  76           HA       GLU  76  70.848   3.215   5.105
  554   1HB   GLU  76           HB2      GLU  76  68.618   5.155   4.491
  555   2HB   GLU  76           HB1      GLU  76  68.280   3.565   5.175
  556   1HG   GLU  76           HG2      GLU  76  69.747   4.040   7.079
  557   2HG   GLU  76           HG1      GLU  76  70.163   5.609   6.386
  558    H    PHE  77           HN       PHE  77  69.121   4.476   2.222
  559    HA   PHE  77           HA       PHE  77  67.966   2.204   1.175
  560   1HB   PHE  77           HB2      PHE  77  68.102   4.567   0.241
  561   2HB   PHE  77           HB1      PHE  77  69.672   4.127  -0.430
  562    HD1  PHE  77           HD1      PHE  77  66.382   2.338  -0.132
  563    HD2  PHE  77           HD2      PHE  77  69.519   3.721  -2.720
  564    HE1  PHE  77           HE1      PHE  77  65.256   1.272  -2.067
  565    HE2  PHE  77           HE2      PHE  77  68.394   2.654  -4.655
  566    HZ   PHE  77           HZ       PHE  77  66.262   1.430  -4.328
  567    H    LEU  78           HN       LEU  78  71.429   3.010   1.129
  568    HA   LEU  78           HA       LEU  78  72.210   0.766  -0.539
  569   1HB   LEU  78           HB2      LEU  78  73.413   2.967   1.007
  570   2HB   LEU  78           HB1      LEU  78  74.419   1.520   0.929
  571    HG   LEU  78           HG       LEU  78  73.213   2.976  -1.443
  572   1HD1  LEU  78          HD13      LEU  78  75.575   3.451   0.046
  573   2HD1  LEU  78          HD12      LEU  78  76.079   2.680  -1.459
  574   3HD1  LEU  78          HD11      LEU  78  75.123   4.161  -1.504
  575   1HD2  LEU  78          HD22      LEU  78  74.505   0.321  -1.089
  576   2HD2  LEU  78          HD21      LEU  78  73.334   0.848  -2.297
  577   3HD2  LEU  78          HD23      LEU  78  75.038   1.267  -2.480
  578    H    VAL  79           HN       VAL  79  72.799   1.382   2.955
  579    HA   VAL  79           HA       VAL  79  73.709  -1.165   3.689
  580    HB   VAL  79           HB       VAL  79  71.874   0.728   5.200
  581   1HG1  VAL  79          HG12      VAL  79  73.377  -1.724   5.935
  582   2HG1  VAL  79          HG11      VAL  79  73.522  -0.369   7.054
  583   3HG1  VAL  79          HG13      VAL  79  71.933  -1.027   6.668
  584   1HG2  VAL  79          HG22      VAL  79  74.344   1.280   4.120
  585   2HG2  VAL  79          HG21      VAL  79  73.669   2.084   5.538
  586   3HG2  VAL  79          HG23      VAL  79  74.772   0.722   5.738
  587    H    MET  80           HN       MET  80  70.312  -0.012   3.669
  588    HA   MET  80           HA       MET  80  68.991  -2.319   4.534
  589   1HB   MET  80           HB2      MET  80  68.398   0.133   3.296
  590   2HB   MET  80           HB1      MET  80  67.688  -1.089   2.241
  591   1HG   MET  80           HG2      MET  80  67.286  -1.452   5.169
  592   2HG   MET  80           HG1      MET  80  66.399  -0.135   4.401
  593   1HE   MET  80           HE1      MET  80  65.579  -0.400   2.067
  594   2HE   MET  80           HE3      MET  80  64.486  -1.702   1.578
  595   3HE   MET  80           HE2      MET  80  64.062  -0.650   2.926
  596    H    MET  81           HN       MET  81  70.342  -1.616   1.326
  597    HA   MET  81           HA       MET  81  69.279  -3.974   0.022
  598   1HB   MET  81           HB2      MET  81  71.010  -1.688  -0.512
  599   2HB   MET  81           HB1      MET  81  71.627  -3.154  -1.273
  600   1HG   MET  81           HG2      MET  81  69.408  -3.552  -2.293
  601   2HG   MET  81           HG1      MET  81  68.810  -2.067  -1.552
  602   1HE   MET  81           HE1      MET  81  69.208  -0.092  -1.866
  603   2HE   MET  81           HE3      MET  81  70.629   0.655  -2.609
  604   3HE   MET  81           HE2      MET  81  69.144   0.466  -3.537
  605    H    VAL  82           HN       VAL  82  72.682  -3.204   0.837
  606    HA   VAL  82           HA       VAL  82  73.754  -5.789   0.574
  607    HB   VAL  82           HB       VAL  82  75.089  -3.775   0.859
  608   1HG1  VAL  82          HG13      VAL  82  73.880  -3.686   3.640
  609   2HG1  VAL  82          HG12      VAL  82  75.163  -2.625   3.058
  610   3HG1  VAL  82          HG11      VAL  82  73.558  -2.547   2.333
  611   1HG2  VAL  82          HG21      VAL  82  75.486  -6.171   2.331
  612   2HG2  VAL  82          HG23      VAL  82  76.713  -5.023   1.792
  613   3HG2  VAL  82          HG22      VAL  82  75.969  -4.837   3.381
  614    H    ARG  83           HN       ARG  83  71.954  -4.370   3.269
  615    HA   ARG  83           HA       ARG  83  72.520  -6.439   5.203
  616   1HB   ARG  83           HB2      ARG  83  70.445  -4.288   4.802
  617   2HB   ARG  83           HB1      ARG  83  70.295  -5.425   6.141
  618   1HG   ARG  83           HG2      ARG  83  72.810  -4.798   6.587
  619   2HG   ARG  83           HG1      ARG  83  72.417  -3.359   5.644
  620   1HD   ARG  83           HD2      ARG  83  70.777  -2.641   7.200
  621   2HD   ARG  83           HD1      ARG  83  70.679  -4.244   7.960
  622    HE   ARG  83           HE       ARG  83  73.314  -2.893   8.040
  623   1HH1  ARG  83          HH21      ARG  83  70.574  -2.153   9.661
  624   2HH1  ARG  83          HH22      ARG  83  71.096  -2.676  11.227
  625   1HH2  ARG  83          HH11      ARG  83  73.928  -4.287  10.036
  626   2HH2  ARG  83          HH12      ARG  83  72.995  -3.884  11.440
  627    H    CYS  84           HN       CYS  84  70.217  -6.109   2.571
  628    HA   CYS  84           HA       CYS  84  68.813  -8.608   3.417
  629   1HB   CYS  84           HB2      CYS  84  68.229  -6.249   1.640
  630   2HB   CYS  84           HB1      CYS  84  67.329  -7.749   1.420
  631    HG   CYS  84           HG       CYS  84  67.408  -6.441   4.251
  632    H    MET  85           HN       MET  85  71.540  -8.077   1.860
  633    HA   MET  85           HA       MET  85  70.962  -9.573  -0.638
  634   1HB   MET  85           HB2      MET  85  73.285  -8.059   0.551
  635   2HB   MET  85           HB1      MET  85  73.512  -9.089  -0.864
  636   1HG   MET  85           HG2      MET  85  71.243  -7.677  -1.533
  637   2HG   MET  85           HG1      MET  85  72.184  -6.475  -0.649
  638   1HE   MET  85           HE2      MET  85  73.072  -5.043  -1.593
  639   2HE   MET  85           HE1      MET  85  74.545  -5.132  -2.554
  640   3HE   MET  85           HE3      MET  85  72.979  -4.917  -3.347
  641    H    LYS  86           HN       LYS  86  73.054  -9.868   2.259
  642    HA   LYS  86           HA       LYS  86  73.969 -11.798   3.277
  643   1HB   LYS  86           HB2      LYS  86  71.423 -12.290   2.936
  644   2HB   LYS  86           HB1      LYS  86  71.970 -13.357   1.643
  645   1HG   LYS  86           HG2      LYS  86  73.552 -14.400   3.356
  646   2HG   LYS  86           HG1      LYS  86  72.647 -13.516   4.586
  647   1HD   LYS  86           HD2      LYS  86  70.724 -14.769   4.272
  648   2HD   LYS  86           HD1      LYS  86  71.117 -15.145   2.595
  649   1HE   LYS  86           HE2      LYS  86  71.438 -17.188   3.826
  650   2HE   LYS  86           HE1      LYS  86  73.066 -16.545   3.531
  651   1HZ   LYS  86           HZ3      LYS  86  71.438 -16.035   5.966
  652   2HZ   LYS  86           HZ2      LYS  86  72.742 -17.120   5.875
  653   3HZ   LYS  86           HZ1      LYS  86  73.004 -15.453   5.675
  654    H    ASP  87           HN       ASP  87  75.873 -11.344   1.794
  655    HA   ASP  87           HA       ASP  87  76.109 -12.887  -0.681
  656   1HB   ASP  87           HB2      ASP  87  78.339 -11.882  -0.707
  657   2HB   ASP  87           HB1      ASP  87  77.163 -10.661  -0.220
  658    H    ASP  88           HN       ASP  88  75.571 -14.999   0.572
  659    HA   ASP  88           HA       ASP  88  77.481 -16.120   2.415
  660   1HB   ASP  88           HB2      ASP  88  76.230 -18.184   1.949
  661   2HB   ASP  88           HB1      ASP  88  75.113 -16.828   2.098
  662    H    SER  89           HN       SER  89  78.683 -18.242   1.758
  663    HA   SER  89           HA       SER  89  80.667 -17.641  -0.214
  664   1HB   SER  89           HB2      SER  89  79.811 -20.267   1.045
  665   2HB   SER  89           HB1      SER  89  81.352 -19.981   0.241
  666    HG   SER  89           HG       SER  89  81.334 -19.734   2.588
   
  No H/Q in entry =         666
  Start of MODEL   19
    1   1H    MET   1           HT2      MET   1  84.511  -0.398  16.166
    2   2H    MET   1           HT1      MET   1  86.064  -1.035  16.426
    3   3H    MET   1           HT3      MET   1  85.355  -1.134  14.889
    4    HA   MET   1           HA       MET   1  85.209  -3.285  15.956
    5   1HB   MET   1           HB2      MET   1  84.044  -1.519  18.121
    6   2HB   MET   1           HB1      MET   1  83.838  -3.271  18.129
    7   1HG   MET   1           HG2      MET   1  86.313  -3.532  18.032
    8   2HG   MET   1           HG1      MET   1  86.478  -1.779  18.128
    9   1HE   MET   1           HE1      MET   1  86.344  -4.914  19.484
   10   2HE   MET   1           HE3      MET   1  86.411  -4.763  21.246
   11   3HE   MET   1           HE2      MET   1  84.858  -4.932  20.431
   12    H    ASP   2           HN       ASP   2  82.637  -0.807  16.261
   13    HA   ASP   2           HA       ASP   2  80.656  -2.710  15.137
   14   1HB   ASP   2           HB2      ASP   2  80.534  -0.895  17.127
   15   2HB   ASP   2           HB1      ASP   2  80.015   0.128  15.786
   16    H    ASP   3           HN       ASP   3  81.846  -2.649  12.981
   17    HA   ASP   3           HA       ASP   3  80.657  -0.545  11.271
   18   1HB   ASP   3           HB2      ASP   3  83.294  -0.406  12.307
   19   2HB   ASP   3           HB1      ASP   3  83.449  -0.829  10.601
   20    H    ILE   4           HN       ILE   4  80.890  -3.656  11.735
   21    HA   ILE   4           HA       ILE   4  82.130  -4.855   9.478
   22    HB   ILE   4           HB       ILE   4  79.585  -5.671  10.920
   23   1HG1  ILE   4          HG12      ILE   4  82.172  -6.827  11.743
   24   2HG1  ILE   4          HG11      ILE   4  81.997  -5.110  12.108
   25   1HG2  ILE   4          HG21      ILE   4  80.320  -6.902   8.795
   26   2HG2  ILE   4          HG23      ILE   4  81.731  -7.427   9.714
   27   3HG2  ILE   4          HG22      ILE   4  80.113  -7.894  10.239
   28   1HD1  ILE   4          HD12      ILE   4  79.545  -6.498  12.735
   29   2HD1  ILE   4          HD11      ILE   4  80.902  -7.281  13.547
   30   3HD1  ILE   4          HD13      ILE   4  80.591  -5.564  13.805
   31    H    TYR   5           HN       TYR   5  78.706  -3.885   9.905
   32    HA   TYR   5           HA       TYR   5  77.898  -4.477   7.218
   33   1HB   TYR   5           HB2      TYR   5  76.905  -2.794   9.509
   34   2HB   TYR   5           HB1      TYR   5  76.076  -2.727   7.952
   35    HD1  TYR   5           HD2      TYR   5  76.955  -4.862  10.827
   36    HD2  TYR   5           HD1      TYR   5  74.898  -4.667   7.060
   37    HE1  TYR   5           HE2      TYR   5  75.799  -6.993  11.347
   38    HE2  TYR   5           HE1      TYR   5  73.743  -6.800   7.580
   39    HH   TYR   5           HH       TYR   5  74.050  -8.759   8.994
   40    H    LYS   6           HN       LYS   6  78.897  -1.401   8.763
   41    HA   LYS   6           HA       LYS   6  78.582   0.381   6.634
   42   1HB   LYS   6           HB2      LYS   6  80.873   0.124   8.614
   43   2HB   LYS   6           HB1      LYS   6  80.474   1.588   7.713
   44   1HG   LYS   6           HG2      LYS   6  78.050   0.840   8.859
   45   2HG   LYS   6           HG1      LYS   6  79.234   0.506  10.124
   46   1HD   LYS   6           HD2      LYS   6  79.160   2.713  10.595
   47   2HD   LYS   6           HD1      LYS   6  80.057   2.953   9.095
   48   1HE   LYS   6           HE2      LYS   6  77.769   2.949   7.909
   49   2HE   LYS   6           HE1      LYS   6  77.069   3.143   9.529
   50   1HZ   LYS   6           HZ2      LYS   6  78.724   4.983   9.852
   51   2HZ   LYS   6           HZ1      LYS   6  79.045   4.901   8.186
   52   3HZ   LYS   6           HZ3      LYS   6  77.493   5.315   8.730
   53    H    ALA   7           HN       ALA   7  81.136  -2.030   7.133
   54    HA   ALA   7           HA       ALA   7  82.875  -1.189   5.008
   55   1HB   ALA   7           HB3      ALA   7  82.345  -3.805   6.441
   56   2HB   ALA   7           HB2      ALA   7  83.644  -3.617   5.263
   57   3HB   ALA   7           HB1      ALA   7  83.651  -2.657   6.742
   58    H    ALA   8           HN       ALA   8  80.239  -3.604   5.126
   59    HA   ALA   8           HA       ALA   8  80.436  -4.661   2.527
   60   1HB   ALA   8           HB1      ALA   8  78.690  -4.720   4.709
   61   2HB   ALA   8           HB3      ALA   8  77.694  -4.128   3.380
   62   3HB   ALA   8           HB2      ALA   8  78.533  -5.671   3.232
   63    H    VAL   9           HN       VAL   9  78.305  -1.939   3.513
   64    HA   VAL   9           HA       VAL   9  77.406  -1.154   0.976
   65    HB   VAL   9           HB       VAL   9  78.148   0.470   3.430
   66   1HG1  VAL   9          HG13      VAL   9  77.312   1.333   0.815
   67   2HG1  VAL   9          HG12      VAL   9  76.021   1.656   1.972
   68   3HG1  VAL   9          HG11      VAL   9  77.634   2.313   2.246
   69   1HG2  VAL   9          HG22      VAL   9  76.337  -1.483   3.335
   70   2HG2  VAL   9          HG21      VAL   9  76.017   0.010   4.216
   71   3HG2  VAL   9          HG23      VAL   9  75.356  -0.217   2.597
   72    H    GLU  10           HN       GLU  10  80.401  -0.145   2.649
   73    HA   GLU  10           HA       GLU  10  81.289   1.534   0.434
   74   1HB   GLU  10           HB2      GLU  10  81.989   2.142   2.611
   75   2HB   GLU  10           HB1      GLU  10  82.427   0.484   3.025
   76   1HG   GLU  10           HG2      GLU  10  84.460   0.614   1.980
   77   2HG   GLU  10           HG1      GLU  10  83.857   1.683   0.713
   78    H    GLN  11           HN       GLN  11  81.659  -1.824   1.366
   79    HA   GLN  11           HA       GLN  11  84.025  -2.441  -0.145
   80   1HB   GLN  11           HB2      GLN  11  81.929  -3.743   1.391
   81   2HB   GLN  11           HB1      GLN  11  82.357  -4.702  -0.027
   82   1HG   GLN  11           HG2      GLN  11  83.758  -5.242   1.974
   83   2HG   GLN  11           HG1      GLN  11  84.707  -4.672   0.602
   84   1HE2  GLN  11          HE22      GLN  11  85.864  -2.783   3.602
   85   2HE2  GLN  11          HE21      GLN  11  85.855  -4.413   3.131
   86    H    LEU  12           HN       LEU  12  80.767  -1.778  -1.097
   87    HA   LEU  12           HA       LEU  12  80.651  -3.333  -3.521
   88   1HB   LEU  12           HB2      LEU  12  79.311  -0.711  -2.777
   89   2HB   LEU  12           HB1      LEU  12  78.750  -1.857  -3.995
   90    HG   LEU  12           HG       LEU  12  78.989  -2.383  -1.018
   91   1HD1  LEU  12          HD13      LEU  12  76.881  -1.349  -2.711
   92   2HD1  LEU  12          HD12      LEU  12  76.393  -2.884  -1.994
   93   3HD1  LEU  12          HD11      LEU  12  76.897  -1.549  -0.959
   94   1HD2  LEU  12          HD22      LEU  12  78.812  -4.151  -3.356
   95   2HD2  LEU  12          HD21      LEU  12  79.230  -4.538  -1.687
   96   3HD2  LEU  12          HD23      LEU  12  77.537  -4.438  -2.172
   97    H    THR  13           HN       THR  13  80.937  -2.535  -5.715
   98    HA   THR  13           HA       THR  13  83.252  -0.790  -6.037
   99    HB   THR  13           HB       THR  13  82.572  -1.240  -8.511
  100    HG1  THR  13           HG1      THR  13  80.408  -1.761  -8.019
  101   1HG2  THR  13          HG21      THR  13  83.449  -3.204  -6.436
  102   2HG2  THR  13          HG23      THR  13  83.111  -3.804  -8.059
  103   3HG2  THR  13          HG22      THR  13  84.337  -2.560  -7.817
  104    H    GLU  14           HN       GLU  14  83.198   1.171  -7.413
  105    HA   GLU  14           HA       GLU  14  81.223   3.075  -6.641
  106   1HB   GLU  14           HB2      GLU  14  82.355   4.478  -8.297
  107   2HB   GLU  14           HB1      GLU  14  83.554   3.505  -7.444
  108   1HG   GLU  14           HG2      GLU  14  83.539   1.866  -9.294
  109   2HG   GLU  14           HG1      GLU  14  82.359   2.855 -10.154
  110    H    GLU  15           HN       GLU  15  81.537   1.096  -9.590
  111    HA   GLU  15           HA       GLU  15  79.465   2.238 -11.141
  112   1HB   GLU  15           HB2      GLU  15  79.382  -0.167 -12.061
  113   2HB   GLU  15           HB1      GLU  15  80.955   0.631 -12.086
  114   1HG   GLU  15           HG2      GLU  15  81.830  -0.932 -10.723
  115   2HG   GLU  15           HG1      GLU  15  80.547  -0.675  -9.540
  116    H    GLN  16           HN       GLN  16  79.289   0.341  -8.238
  117    HA   GLN  16           HA       GLN  16  76.558  -0.615  -8.624
  118   1HB   GLN  16           HB2      GLN  16  78.273  -1.737  -7.230
  119   2HB   GLN  16           HB1      GLN  16  78.309  -0.335  -6.160
  120   1HG   GLN  16           HG2      GLN  16  76.725  -1.475  -4.988
  121   2HG   GLN  16           HG1      GLN  16  75.629  -0.871  -6.232
  122   1HE2  GLN  16          HE22      GLN  16  76.712  -4.822  -6.237
  123   2HE2  GLN  16          HE21      GLN  16  77.550  -3.715  -5.259
  124    H    LYS  17           HN       LYS  17  77.863   1.578  -6.110
  125    HA   LYS  17           HA       LYS  17  75.391   2.730  -5.361
  126   1HB   LYS  17           HB2      LYS  17  78.218   3.834  -5.381
  127   2HB   LYS  17           HB1      LYS  17  76.883   4.546  -4.475
  128   1HG   LYS  17           HG2      LYS  17  77.243   3.093  -2.800
  129   2HG   LYS  17           HG1      LYS  17  76.927   1.751  -3.901
  130   1HD   LYS  17           HD2      LYS  17  79.108   1.281  -3.235
  131   2HD   LYS  17           HD1      LYS  17  79.394   2.216  -4.703
  132   1HE   LYS  17           HE2      LYS  17  79.168   3.671  -2.079
  133   2HE   LYS  17           HE1      LYS  17  80.691   2.863  -2.500
  134   1HZ   LYS  17           HZ2      LYS  17  80.576   3.971  -4.686
  135   2HZ   LYS  17           HZ1      LYS  17  79.218   4.844  -4.156
  136   3HZ   LYS  17           HZ3      LYS  17  80.720   5.075  -3.403
  137    H    ASN  18           HN       ASN  18  77.448   3.377  -8.121
  138    HA   ASN  18           HA       ASN  18  76.479   5.992  -8.803
  139   1HB   ASN  18           HB2      ASN  18  78.001   3.761 -10.002
  140   2HB   ASN  18           HB1      ASN  18  77.167   4.785 -11.173
  141   1HD2  ASN  18          HD22      ASN  18  80.567   6.229 -10.238
  142   2HD2  ASN  18          HD21      ASN  18  80.100   4.665 -10.706
  143    H    GLU  19           HN       GLU  19  75.421   2.719  -9.770
  144    HA   GLU  19           HA       GLU  19  73.305   3.635 -11.520
  145   1HB   GLU  19           HB2      GLU  19  74.215   1.094 -10.223
  146   2HB   GLU  19           HB1      GLU  19  72.594   1.132 -10.918
  147   1HG   GLU  19           HG2      GLU  19  74.403   2.376 -12.762
  148   2HG   GLU  19           HG1      GLU  19  75.069   0.812 -12.288
  149    H    PHE  20           HN       PHE  20  73.377   2.509  -8.124
  150    HA   PHE  20           HA       PHE  20  70.553   2.665  -7.660
  151   1HB   PHE  20           HB2      PHE  20  73.039   2.805  -5.945
  152   2HB   PHE  20           HB1      PHE  20  71.426   2.876  -5.235
  153    HD1  PHE  20           HD1      PHE  20  69.744   1.010  -6.064
  154    HD2  PHE  20           HD2      PHE  20  74.024   0.715  -6.294
  155    HE1  PHE  20           HE1      PHE  20  69.566  -1.459  -6.216
  156    HE2  PHE  20           HE2      PHE  20  73.846  -1.753  -6.448
  157    HZ   PHE  20           HZ       PHE  20  71.617  -2.840  -6.408
  158    H    LYS  21           HN       LYS  21  73.151   5.071  -7.442
  159    HA   LYS  21           HA       LYS  21  71.861   7.151  -6.056
  160   1HB   LYS  21           HB2      LYS  21  74.212   7.128  -6.811
  161   2HB   LYS  21           HB1      LYS  21  73.680   7.260  -8.488
  162   1HG   LYS  21           HG2      LYS  21  73.756   9.500  -8.230
  163   2HG   LYS  21           HG1      LYS  21  72.362   9.345  -7.160
  164   1HD   LYS  21           HD2      LYS  21  73.869   9.014  -5.236
  165   2HD   LYS  21           HD1      LYS  21  75.265   9.172  -6.302
  166   1HE   LYS  21           HE2      LYS  21  74.452  11.472  -6.929
  167   2HE   LYS  21           HE1      LYS  21  73.199  11.308  -5.683
  168   1HZ   LYS  21           HZ1      LYS  21  75.182  10.572  -4.219
  169   2HZ   LYS  21           HZ3      LYS  21  76.128  11.392  -5.364
  170   3HZ   LYS  21           HZ2      LYS  21  74.933  12.230  -4.495
  171    H    ALA  22           HN       ALA  22  71.896   6.680  -9.616
  172    HA   ALA  22           HA       ALA  22  70.038   8.724 -10.264
  173   1HB   ALA  22           HB3      ALA  22  71.190   6.278 -11.462
  174   2HB   ALA  22           HB2      ALA  22  69.645   6.772 -12.153
  175   3HB   ALA  22           HB1      ALA  22  71.010   7.889 -12.157
  176    H    ALA  23           HN       ALA  23  69.415   5.212  -9.863
  177    HA   ALA  23           HA       ALA  23  66.602   5.270 -10.105
  178   1HB   ALA  23           HB2      ALA  23  68.155   3.287  -9.997
  179   2HB   ALA  23           HB1      ALA  23  68.285   3.548  -8.257
  180   3HB   ALA  23           HB3      ALA  23  66.730   3.119  -8.970
  181    H    PHE  24           HN       PHE  24  68.631   5.723  -7.197
  182    HA   PHE  24           HA       PHE  24  66.707   5.852  -5.186
  183   1HB   PHE  24           HB2      PHE  24  69.061   6.072  -4.734
  184   2HB   PHE  24           HB1      PHE  24  69.175   7.522  -5.733
  185    HD1  PHE  24           HD1      PHE  24  68.016   6.146  -2.517
  186    HD2  PHE  24           HD2      PHE  24  68.333   9.673  -4.949
  187    HE1  PHE  24           HE1      PHE  24  67.466   7.552  -0.550
  188    HE2  PHE  24           HE2      PHE  24  67.783  11.078  -2.980
  189    HZ   PHE  24           HZ       PHE  24  67.348  10.018  -0.781
  190    H    ASP  25           HN       ASP  25  67.695   8.517  -7.362
  191    HA   ASP  25           HA       ASP  25  65.815  10.434  -6.307
  192   1HB   ASP  25           HB2      ASP  25  67.902  10.233  -8.246
  193   2HB   ASP  25           HB1      ASP  25  66.493  10.930  -9.046
  194    H    ILE  26           HN       ILE  26  65.341   7.654  -8.218
  195    HA   ILE  26           HA       ILE  26  63.065   8.718  -9.756
  196    HB   ILE  26           HB       ILE  26  64.246   5.949  -9.395
  197   1HG1  ILE  26          HG12      ILE  26  64.686   8.220 -11.334
  198   2HG1  ILE  26          HG11      ILE  26  65.887   7.268 -10.465
  199   1HG2  ILE  26          HG21      ILE  26  61.743   6.646 -10.389
  200   2HG2  ILE  26          HG23      ILE  26  62.742   6.509 -11.836
  201   3HG2  ILE  26          HG22      ILE  26  62.607   5.145 -10.726
  202   1HD1  ILE  26          HD11      ILE  26  65.168   5.268 -11.815
  203   2HD1  ILE  26          HD13      ILE  26  64.153   6.349 -12.769
  204   3HD1  ILE  26          HD12      ILE  26  65.905   6.552 -12.773
  205    H    PHE  27           HN       PHE  27  63.627   6.948  -6.764
  206    HA   PHE  27           HA       PHE  27  60.830   6.074  -6.523
  207   1HB   PHE  27           HB2      PHE  27  63.117   6.106  -4.527
  208   2HB   PHE  27           HB1      PHE  27  61.644   5.140  -4.418
  209    HD1  PHE  27           HD2      PHE  27  61.158   3.857  -6.817
  210    HD2  PHE  27           HD1      PHE  27  64.994   4.910  -5.199
  211    HE1  PHE  27           HE2      PHE  27  62.219   2.071  -8.172
  212    HE2  PHE  27           HE1      PHE  27  66.056   3.125  -6.553
  213    HZ   PHE  27           HZ       PHE  27  64.668   1.705  -8.040
  214    H    VAL  28           HN       VAL  28  62.881   8.698  -5.326
  215    HA   VAL  28           HA       VAL  28  61.064   9.650  -3.297
  216    HB   VAL  28           HB       VAL  28  62.576  11.544  -3.274
  217   1HG1  VAL  28          HG12      VAL  28  63.383   9.062  -2.776
  218   2HG1  VAL  28          HG11      VAL  28  64.421   9.366  -4.170
  219   3HG1  VAL  28          HG13      VAL  28  64.524  10.407  -2.750
  220   1HG2  VAL  28          HG21      VAL  28  62.774  10.879  -6.111
  221   2HG2  VAL  28          HG23      VAL  28  63.131  12.400  -5.292
  222   3HG2  VAL  28          HG22      VAL  28  64.358  11.137  -5.380
  223    H    LEU  29           HN       LEU  29  60.806   9.612  -6.659
  224    HA   LEU  29           HA       LEU  29  59.849  12.048  -7.540
  225   1HB   LEU  29           HB2      LEU  29  59.250   9.184  -8.021
  226   2HB   LEU  29           HB1      LEU  29  58.035  10.318  -8.615
  227    HG   LEU  29           HG       LEU  29  59.891   9.761 -10.263
  228   1HD1  LEU  29          HD11      LEU  29  58.914  12.412  -9.422
  229   2HD1  LEU  29          HD13      LEU  29  60.383  12.459 -10.397
  230   3HD1  LEU  29          HD12      LEU  29  58.933  11.676 -11.024
  231   1HD2  LEU  29          HD23      LEU  29  61.687   9.792  -8.481
  232   2HD2  LEU  29          HD22      LEU  29  62.068  10.752  -9.909
  233   3HD2  LEU  29          HD21      LEU  29  61.521  11.547  -8.432
  234    H    GLY  30           HN       GLY  30  58.300   9.879  -5.239
  235   1HA   GLY  30           HA2      GLY  30  55.905  11.652  -5.168
  236   2HA   GLY  30           HA1      GLY  30  55.983  10.025  -4.486
  237    H    ALA  31           HN       ALA  31  58.792  10.884  -3.462
  238    HA   ALA  31           HA       ALA  31  58.160  11.352  -0.765
  239   1HB   ALA  31           HB1      ALA  31  60.371  10.758  -1.980
  240   2HB   ALA  31           HB3      ALA  31  60.586  12.500  -2.155
  241   3HB   ALA  31           HB2      ALA  31  60.485  11.779  -0.548
  242    H    GLU  32           HN       GLU  32  58.877  13.475   0.415
  243    HA   GLU  32           HA       GLU  32  57.637  15.806  -1.010
  244   1HB   GLU  32           HB2      GLU  32  57.833  15.134   1.946
  245   2HB   GLU  32           HB1      GLU  32  56.984  16.521   1.263
  246   1HG   GLU  32           HG2      GLU  32  55.168  15.160   1.245
  247   2HG   GLU  32           HG1      GLU  32  55.917  14.431  -0.177
  248    H    ASP  33           HN       ASP  33  60.333  14.679   0.964
  249    HA   ASP  33           HA       ASP  33  61.607  17.379   0.803
  250   1HB   ASP  33           HB2      ASP  33  63.118  16.314   2.552
  251   2HB   ASP  33           HB1      ASP  33  61.427  16.466   3.030
  252    H    GLY  34           HN       GLY  34  61.833  14.087  -0.328
  253   1HA   GLY  34           HA2      GLY  34  63.141  13.854  -2.472
  254   2HA   GLY  34           HA1      GLY  34  64.423  14.763  -1.668
  255    H    CYS  35           HN       CYS  35  62.388  12.008  -0.634
  256    HA   CYS  35           HA       CYS  35  64.858  10.360  -0.346
  257   1HB   CYS  35           HB2      CYS  35  63.406  11.678   1.745
  258   2HB   CYS  35           HB1      CYS  35  63.165   9.940   1.920
  259    HG   CYS  35           HG       CYS  35  65.664  11.329   2.684
  260    H    ILE  36           HN       ILE  36  63.948   8.055   0.558
  261    HA   ILE  36           HA       ILE  36  61.583   7.394  -1.168
  262    HB   ILE  36           HB       ILE  36  63.493   5.264  -0.362
  263   1HG1  ILE  36          HG12      ILE  36  64.297   7.404  -2.365
  264   2HG1  ILE  36          HG11      ILE  36  65.034   7.180  -0.778
  265   1HG2  ILE  36          HG22      ILE  36  61.882   6.092  -2.746
  266   2HG2  ILE  36          HG21      ILE  36  63.265   5.027  -2.995
  267   3HG2  ILE  36          HG23      ILE  36  61.950   4.531  -1.928
  268   1HD1  ILE  36          HD12      ILE  36  64.899   4.716  -2.379
  269   2HD1  ILE  36          HD11      ILE  36  65.905   5.975  -3.095
  270   3HD1  ILE  36          HD13      ILE  36  66.248   5.391  -1.466
  271    H    SER  37           HN       SER  37  59.898   7.343   0.320
  272    HA   SER  37           HA       SER  37  60.141   6.491   3.055
  273   1HB   SER  37           HB2      SER  37  57.771   6.678   1.169
  274   2HB   SER  37           HB1      SER  37  57.654   6.542   2.921
  275    HG   SER  37           HG       SER  37  58.512   8.531   3.142
  276    H    THR  38           HN       THR  38  58.549   4.603   3.786
  277    HA   THR  38           HA       THR  38  59.556   2.144   2.523
  278    HB   THR  38           HB       THR  38  59.441   2.505   4.980
  279    HG1  THR  38           HG1      THR  38  58.905   0.401   3.727
  280   1HG2  THR  38          HG23      THR  38  56.630   3.074   4.261
  281   2HG2  THR  38          HG22      THR  38  56.861   2.118   5.723
  282   3HG2  THR  38          HG21      THR  38  57.606   3.711   5.584
  283    H    LYS  39           HN       LYS  39  56.660   4.071   2.480
  284    HA   LYS  39           HA       LYS  39  54.719   2.096   1.786
  285   1HB   LYS  39           HB2      LYS  39  54.931   4.881   2.106
  286   2HB   LYS  39           HB1      LYS  39  54.369   4.654   0.451
  287   1HG   LYS  39           HG2      LYS  39  52.307   4.178   1.208
  288   2HG   LYS  39           HG1      LYS  39  52.956   2.817   2.123
  289   1HD   LYS  39           HD2      LYS  39  53.696   4.643   3.839
  290   2HD   LYS  39           HD1      LYS  39  52.496   5.649   3.028
  291   1HE   LYS  39           HE2      LYS  39  50.726   4.426   3.843
  292   2HE   LYS  39           HE1      LYS  39  51.625   2.897   3.779
  293   1HZ   LYS  39           HZ1      LYS  39  52.539   5.010   5.601
  294   2HZ   LYS  39           HZ3      LYS  39  51.203   4.072   6.060
  295   3HZ   LYS  39           HZ2      LYS  39  52.696   3.324   5.742
  296    H    GLU  40           HN       GLU  40  57.144   3.804  -0.143
  297    HA   GLU  40           HA       GLU  40  56.106   2.568  -2.644
  298   1HB   GLU  40           HB2      GLU  40  57.314   5.006  -1.914
  299   2HB   GLU  40           HB1      GLU  40  58.531   4.151  -2.863
  300   1HG   GLU  40           HG2      GLU  40  55.679   4.291  -3.816
  301   2HG   GLU  40           HG1      GLU  40  56.791   5.625  -4.124
  302    H    LEU  41           HN       LEU  41  58.557   2.147  -0.245
  303    HA   LEU  41           HA       LEU  41  60.725   0.986  -1.539
  304   1HB   LEU  41           HB2      LEU  41  60.399   1.347   0.909
  305   2HB   LEU  41           HB1      LEU  41  59.285  -0.019   0.940
  306    HG   LEU  41           HG       LEU  41  61.694  -0.524   1.628
  307   1HD1  LEU  41          HD13      LEU  41  59.837  -2.098   0.525
  308   2HD1  LEU  41          HD12      LEU  41  61.036  -2.183  -0.766
  309   3HD1  LEU  41          HD11      LEU  41  61.463  -2.690   0.868
  310   1HD2  LEU  41          HD22      LEU  41  62.579   0.921  -0.320
  311   2HD2  LEU  41          HD21      LEU  41  63.382  -0.624  -0.036
  312   3HD2  LEU  41          HD23      LEU  41  62.214  -0.465  -1.347
  313    H    GLY  42           HN       GLY  42  57.902  -0.891  -0.356
  314   1HA   GLY  42           HA2      GLY  42  58.477  -3.368  -1.435
  315   2HA   GLY  42           HA1      GLY  42  56.829  -2.744  -1.351
  316    H    LYS  43           HN       LYS  43  57.009  -0.620  -3.175
  317    HA   LYS  43           HA       LYS  43  56.692  -1.988  -5.686
  318   1HB   LYS  43           HB2      LYS  43  56.615   0.758  -4.580
  319   2HB   LYS  43           HB1      LYS  43  56.969   0.661  -6.306
  320   1HG   LYS  43           HG2      LYS  43  54.969  -0.863  -6.543
  321   2HG   LYS  43           HG1      LYS  43  54.572  -0.499  -4.863
  322   1HD   LYS  43           HD2      LYS  43  54.638   1.966  -5.520
  323   2HD   LYS  43           HD1      LYS  43  54.680   1.421  -7.197
  324   1HE   LYS  43           HE2      LYS  43  52.578   0.073  -6.706
  325   2HE   LYS  43           HE1      LYS  43  52.488   0.938  -5.158
  326   1HZ   LYS  43           HZ3      LYS  43  52.953   2.473  -7.616
  327   2HZ   LYS  43           HZ2      LYS  43  51.375   1.938  -7.286
  328   3HZ   LYS  43           HZ1      LYS  43  52.181   2.948  -6.183
  329    H    VAL  44           HN       VAL  44  59.311   0.043  -4.359
  330    HA   VAL  44           HA       VAL  44  60.962   0.037  -6.710
  331    HB   VAL  44           HB       VAL  44  61.615   0.277  -3.754
  332   1HG1  VAL  44          HG13      VAL  44  63.276   0.294  -6.142
  333   2HG1  VAL  44          HG12      VAL  44  63.382   1.826  -5.275
  334   3HG1  VAL  44          HG11      VAL  44  63.760   0.315  -4.448
  335   1HG2  VAL  44          HG21      VAL  44  60.558   2.143  -5.839
  336   2HG2  VAL  44          HG23      VAL  44  60.196   2.067  -4.114
  337   3HG2  VAL  44          HG22      VAL  44  61.707   2.788  -4.667
  338    H    MET  45           HN       MET  45  61.096  -1.962  -3.737
  339    HA   MET  45           HA       MET  45  63.254  -3.640  -4.568
  340   1HB   MET  45           HB2      MET  45  60.982  -3.772  -2.604
  341   2HB   MET  45           HB1      MET  45  62.005  -5.190  -2.836
  342   1HG   MET  45           HG2      MET  45  63.417  -2.598  -2.501
  343   2HG   MET  45           HG1      MET  45  62.599  -3.229  -1.072
  344   1HE   MET  45           HE3      MET  45  65.574  -2.614  -2.030
  345   2HE   MET  45           HE2      MET  45  66.662  -3.999  -2.023
  346   3HE   MET  45           HE1      MET  45  65.723  -3.633  -3.469
  347    H    ARG  46           HN       ARG  46  59.878  -3.601  -5.434
  348    HA   ARG  46           HA       ARG  46  59.740  -6.369  -6.343
  349   1HB   ARG  46           HB2      ARG  46  58.074  -3.878  -6.435
  350   2HB   ARG  46           HB1      ARG  46  57.652  -5.211  -7.513
  351   1HG   ARG  46           HG2      ARG  46  57.440  -6.737  -5.642
  352   2HG   ARG  46           HG1      ARG  46  58.047  -5.516  -4.523
  353   1HD   ARG  46           HD2      ARG  46  55.972  -4.640  -4.280
  354   2HD   ARG  46           HD1      ARG  46  55.794  -4.475  -6.038
  355    HE   ARG  46           HE       ARG  46  55.583  -7.245  -5.223
  356   1HH1  ARG  46          HH11      ARG  46  53.913  -4.230  -5.118
  357   2HH1  ARG  46          HH12      ARG  46  52.347  -4.939  -5.325
  358   1HH2  ARG  46          HH21      ARG  46  53.552  -8.176  -5.613
  359   2HH2  ARG  46          HH22      ARG  46  52.143  -7.170  -5.606
  360    H    MET  47           HN       MET  47  59.975  -3.198  -8.006
  361    HA   MET  47           HA       MET  47  60.246  -4.383 -10.644
  362   1HB   MET  47           HB2      MET  47  60.478  -2.107 -11.325
  363   2HB   MET  47           HB1      MET  47  59.406  -2.057  -9.927
  364   1HG   MET  47           HG2      MET  47  61.345  -1.527  -8.474
  365   2HG   MET  47           HG1      MET  47  62.393  -1.533  -9.893
  366   1HE   MET  47           HE3      MET  47  62.898   0.305 -11.268
  367   2HE   MET  47           HE2      MET  47  62.521   1.952 -10.770
  368   3HE   MET  47           HE1      MET  47  63.287   0.849  -9.630
  369    H    LEU  48           HN       LEU  48  62.552  -2.980  -8.299
  370    HA   LEU  48           HA       LEU  48  64.914  -3.084  -9.823
  371   1HB   LEU  48           HB2      LEU  48  64.079  -3.013  -7.021
  372   2HB   LEU  48           HB1      LEU  48  65.624  -3.836  -7.237
  373    HG   LEU  48           HG       LEU  48  65.102  -1.211  -8.613
  374   1HD1  LEU  48          HD11      LEU  48  65.092  -1.592  -5.794
  375   2HD1  LEU  48          HD13      LEU  48  66.640  -0.858  -6.213
  376   3HD1  LEU  48          HD12      LEU  48  65.134  -0.065  -6.677
  377   1HD2  LEU  48          HD21      LEU  48  67.340  -3.048  -8.140
  378   2HD2  LEU  48          HD23      LEU  48  67.163  -1.791  -9.363
  379   3HD2  LEU  48          HD22      LEU  48  67.730  -1.374  -7.746
  380    H    GLY  49           HN       GLY  49  63.170  -5.704  -8.212
  381   1HA   GLY  49           HA2      GLY  49  63.562  -7.917  -9.475
  382   2HA   GLY  49           HA1      GLY  49  65.269  -7.611  -9.157
  383    H    GLN  50           HN       GLN  50  63.540  -6.450  -6.553
  384    HA   GLN  50           HA       GLN  50  64.184  -8.901  -4.980
  385   1HB   GLN  50           HB2      GLN  50  63.670  -5.989  -4.309
  386   2HB   GLN  50           HB1      GLN  50  63.914  -7.230  -3.077
  387   1HG   GLN  50           HG2      GLN  50  65.890  -6.780  -5.320
  388   2HG   GLN  50           HG1      GLN  50  65.997  -5.916  -3.786
  389   1HE2  GLN  50          HE22      GLN  50  67.845  -8.614  -2.478
  390   2HE2  GLN  50          HE21      GLN  50  67.741  -6.940  -2.740
  391    H    ASN  51           HN       ASN  51  62.582  -9.393  -3.168
  392    HA   ASN  51           HA       ASN  51  59.779  -8.590  -3.736
  393   1HB   ASN  51           HB2      ASN  51  61.001 -11.326  -4.058
  394   2HB   ASN  51           HB1      ASN  51  59.287 -11.156  -3.674
  395   1HD2  ASN  51          HD22      ASN  51  58.479  -9.672  -6.856
  396   2HD2  ASN  51          HD21      ASN  51  58.016  -9.682  -5.223
  397    HA   PRO  52           HA       PRO  52  60.980  -9.408   0.730
  398   1HB   PRO  52           HB2      PRO  52  60.615  -6.854   1.644
  399   2HB   PRO  52           HB1      PRO  52  62.165  -7.441   1.008
  400   1HG   PRO  52           HG2      PRO  52  60.089  -5.772  -0.316
  401   2HG   PRO  52           HG1      PRO  52  61.854  -5.671  -0.417
  402   1HD   PRO  52           HD2      PRO  52  60.291  -6.801  -2.351
  403   2HD   PRO  52           HD1      PRO  52  61.983  -7.263  -2.053
  404    H    THR  53           HN       THR  53  59.448  -9.193   2.595
  405    HA   THR  53           HA       THR  53  56.650  -9.324   1.677
  406    HB   THR  53           HB       THR  53  56.737  -9.646   4.435
  407    HG1  THR  53           HG1      THR  53  58.611 -10.713   4.870
  408   1HG2  THR  53          HG21      THR  53  56.740 -11.383   2.035
  409   2HG2  THR  53          HG23      THR  53  57.180 -12.170   3.551
  410   3HG2  THR  53          HG22      THR  53  55.626 -11.349   3.401
  411    HA   PRO  54           HA       PRO  54  55.343  -5.428   3.212
  412   1HB   PRO  54           HB2      PRO  54  53.071  -5.994   4.629
  413   2HB   PRO  54           HB1      PRO  54  53.152  -6.084   2.858
  414   1HG   PRO  54           HG2      PRO  54  53.256  -8.268   4.870
  415   2HG   PRO  54           HG1      PRO  54  52.494  -8.238   3.273
  416   1HD   PRO  54           HD2      PRO  54  54.895  -9.449   3.806
  417   2HD   PRO  54           HD1      PRO  54  54.417  -8.845   2.205
  418    H    GLU  55           HN       GLU  55  54.951  -7.844   5.845
  419    HA   GLU  55           HA       GLU  55  55.283  -5.996   8.005
  420   1HB   GLU  55           HB2      GLU  55  55.307  -8.921   7.520
  421   2HB   GLU  55           HB1      GLU  55  56.147  -8.395   8.979
  422   1HG   GLU  55           HG2      GLU  55  54.177  -8.101  10.019
  423   2HG   GLU  55           HG1      GLU  55  53.696  -6.933   8.788
  424    H    GLU  56           HN       GLU  56  57.601  -7.730   5.990
  425    HA   GLU  56           HA       GLU  56  59.902  -7.125   7.699
  426   1HB   GLU  56           HB2      GLU  56  59.358  -8.351   5.009
  427   2HB   GLU  56           HB1      GLU  56  61.013  -7.916   5.437
  428   1HG   GLU  56           HG2      GLU  56  59.305  -9.530   7.324
  429   2HG   GLU  56           HG1      GLU  56  60.198 -10.311   6.019
  430    H    LEU  57           HN       LEU  57  58.211  -5.595   5.050
  431    HA   LEU  57           HA       LEU  57  60.126  -3.934   3.878
  432   1HB   LEU  57           HB2      LEU  57  57.345  -4.198   4.002
  433   2HB   LEU  57           HB1      LEU  57  57.643  -2.541   4.524
  434    HG   LEU  57           HG       LEU  57  59.320  -2.601   2.435
  435   1HD1  LEU  57          HD13      LEU  57  57.165  -4.643   1.827
  436   2HD1  LEU  57          HD12      LEU  57  58.132  -3.853   0.583
  437   3HD1  LEU  57          HD11      LEU  57  58.911  -4.886   1.780
  438   1HD2  LEU  57          HD22      LEU  57  56.716  -1.602   2.987
  439   2HD2  LEU  57          HD21      LEU  57  57.870  -0.997   1.799
  440   3HD2  LEU  57          HD23      LEU  57  56.688  -2.220   1.336
  441    H    GLN  58           HN       GLN  58  58.072  -2.972   6.661
  442    HA   GLN  58           HA       GLN  58  59.603  -0.612   7.267
  443   1HB   GLN  58           HB2      GLN  58  57.245  -0.995   7.879
  444   2HB   GLN  58           HB1      GLN  58  57.729  -2.316   8.943
  445   1HG   GLN  58           HG2      GLN  58  57.416  -0.333  10.300
  446   2HG   GLN  58           HG1      GLN  58  59.144  -0.678  10.222
  447   1HE2  GLN  58          HE22      GLN  58  59.924   2.376   8.652
  448   2HE2  GLN  58          HE21      GLN  58  60.492   0.953   9.382
  449    H    GLU  59           HN       GLU  59  59.590  -3.897   8.682
  450    HA   GLU  59           HA       GLU  59  61.359  -3.534  10.828
  451   1HB   GLU  59           HB2      GLU  59  60.160  -5.623   9.378
  452   2HB   GLU  59           HB1      GLU  59  61.888  -5.977   9.346
  453   1HG   GLU  59           HG2      GLU  59  61.169  -5.069  11.977
  454   2HG   GLU  59           HG1      GLU  59  60.082  -6.376  11.500
  455    H    MET  60           HN       MET  60  62.157  -4.105   7.392
  456    HA   MET  60           HA       MET  60  65.031  -4.117   7.835
  457   1HB   MET  60           HB2      MET  60  63.099  -4.103   5.549
  458   2HB   MET  60           HB1      MET  60  64.783  -3.699   5.212
  459   1HG   MET  60           HG2      MET  60  64.279  -6.087   6.923
  460   2HG   MET  60           HG1      MET  60  63.900  -6.236   5.208
  461   1HE   MET  60           HE1      MET  60  65.679  -7.849   6.835
  462   2HE   MET  60           HE3      MET  60  67.382  -7.852   6.358
  463   3HE   MET  60           HE2      MET  60  66.839  -6.836   7.691
  464    H    ILE  61           HN       ILE  61  62.715  -1.629   7.790
  465    HA   ILE  61           HA       ILE  61  64.738   0.404   6.922
  466    HB   ILE  61           HB       ILE  61  61.716   0.309   7.050
  467   1HG1  ILE  61          HG12      ILE  61  63.594   0.984   4.767
  468   2HG1  ILE  61          HG11      ILE  61  63.000  -0.647   5.079
  469   1HG2  ILE  61          HG23      ILE  61  63.561   2.639   7.065
  470   2HG2  ILE  61          HG22      ILE  61  62.217   2.717   5.927
  471   3HG2  ILE  61          HG21      ILE  61  61.903   2.512   7.651
  472   1HD1  ILE  61          HD12      ILE  61  61.109   1.688   4.790
  473   2HD1  ILE  61          HD11      ILE  61  61.675   0.781   3.387
  474   3HD1  ILE  61          HD13      ILE  61  60.752  -0.034   4.650
  475    H    ASP  62           HN       ASP  62  62.120  -0.044   9.336
  476    HA   ASP  62           HA       ASP  62  62.777   2.139  11.021
  477   1HB   ASP  62           HB2      ASP  62  60.983  -0.011  10.914
  478   2HB   ASP  62           HB1      ASP  62  61.849  -0.235  12.435
  479    H    GLU  63           HN       GLU  63  64.400  -0.907  10.567
  480    HA   GLU  63           HA       GLU  63  65.919  -0.605  13.111
  481   1HB   GLU  63           HB2      GLU  63  65.428  -2.744  11.059
  482   2HB   GLU  63           HB1      GLU  63  66.844  -2.870  12.105
  483   1HG   GLU  63           HG2      GLU  63  65.083  -2.327  14.008
  484   2HG   GLU  63           HG1      GLU  63  63.937  -2.965  12.828
  485    H    VAL  64           HN       VAL  64  66.427  -0.689   9.578
  486    HA   VAL  64           HA       VAL  64  69.317  -0.287   9.839
  487    HB   VAL  64           HB       VAL  64  67.781  -1.446   7.997
  488   1HG1  VAL  64          HG12      VAL  64  66.927   1.105   7.607
  489   2HG1  VAL  64          HG11      VAL  64  68.258   1.040   6.451
  490   3HG1  VAL  64          HG13      VAL  64  66.934  -0.120   6.338
  491   1HG2  VAL  64          HG23      VAL  64  70.436  -0.214   7.983
  492   2HG2  VAL  64          HG22      VAL  64  69.934  -1.804   7.410
  493   3HG2  VAL  64          HG21      VAL  64  69.759  -0.394   6.365
  494    H    ASP  65           HN       ASP  65  66.540   1.736   9.858
  495    HA   ASP  65           HA       ASP  65  67.255   4.108   8.606
  496   1HB   ASP  65           HB2      ASP  65  65.346   3.254  10.356
  497   2HB   ASP  65           HB1      ASP  65  66.257   4.358  11.388
  498    H    GLU  66           HN       GLU  66  68.661   5.834   9.079
  499    HA   GLU  66           HA       GLU  66  70.490   5.463  11.430
  500   1HB   GLU  66           HB2      GLU  66  70.957   5.752   8.521
  501   2HB   GLU  66           HB1      GLU  66  72.006   6.734   9.544
  502   1HG   GLU  66           HG2      GLU  66  71.710   4.047  10.612
  503   2HG   GLU  66           HG1      GLU  66  72.330   4.015   8.960
  504    H    ASP  67           HN       ASP  67  68.130   7.394  10.167
  505    HA   ASP  67           HA       ASP  67  69.379   9.887  11.285
  506   1HB   ASP  67           HB2      ASP  67  67.836  11.020   9.609
  507   2HB   ASP  67           HB1      ASP  67  69.131  10.058   8.893
  508    H    GLY  68           HN       GLY  68  67.070   7.555  11.844
  509   1HA   GLY  68           HA2      GLY  68  65.241   7.473  13.315
  510   2HA   GLY  68           HA1      GLY  68  65.780   9.036  13.934
  511    H    SER  69           HN       SER  69  64.694   8.118  10.660
  512    HA   SER  69           HA       SER  69  62.573  10.228  10.906
  513   1HB   SER  69           HB2      SER  69  63.167  10.936   8.783
  514   2HB   SER  69           HB1      SER  69  64.722  10.296   9.311
  515    HG   SER  69           HG       SER  69  64.548   8.818   7.836
  516    H    GLY  70           HN       GLY  70  63.347   7.298   8.971
  517   1HA   GLY  70           HA2      GLY  70  61.655   5.401   9.318
  518   2HA   GLY  70           HA1      GLY  70  60.431   6.639   9.037
  519    H    THR  71           HN       THR  71  62.374   7.885   7.014
  520    HA   THR  71           HA       THR  71  61.397   6.319   4.705
  521    HB   THR  71           HB       THR  71  62.534   8.333   3.532
  522    HG1  THR  71           HG1      THR  71  63.825   9.238   4.953
  523   1HG2  THR  71          HG23      THR  71  60.039   7.977   4.493
  524   2HG2  THR  71          HG22      THR  71  60.520   9.377   5.452
  525   3HG2  THR  71          HG21      THR  71  60.547   9.463   3.690
  526    H    VAL  72           HN       VAL  72  63.078   6.044   2.853
  527    HA   VAL  72           HA       VAL  72  65.600   4.953   4.042
  528    HB   VAL  72           HB       VAL  72  64.515   4.275   1.316
  529   1HG1  VAL  72          HG13      VAL  72  66.140   2.892   3.451
  530   2HG1  VAL  72          HG12      VAL  72  65.451   2.019   2.082
  531   3HG1  VAL  72          HG11      VAL  72  66.625   3.305   1.808
  532   1HG2  VAL  72          HG22      VAL  72  63.341   3.558   3.978
  533   2HG2  VAL  72          HG21      VAL  72  62.533   3.814   2.432
  534   3HG2  VAL  72          HG23      VAL  72  63.400   2.309   2.735
  535    H    ASP  73           HN       ASP  73  67.174   6.520   3.785
  536    HA   ASP  73           HA       ASP  73  67.213   8.230   1.372
  537   1HB   ASP  73           HB2      ASP  73  67.703   8.826   3.871
  538   2HB   ASP  73           HB1      ASP  73  69.286   8.114   3.560
  539    H    PHE  74           HN       PHE  74  69.386   8.439   0.216
  540    HA   PHE  74           HA       PHE  74  70.216   6.146  -1.092
  541   1HB   PHE  74           HB2      PHE  74  70.834   8.621  -1.419
  542   2HB   PHE  74           HB1      PHE  74  72.111   8.346  -0.233
  543    HD1  PHE  74           HD1      PHE  74  70.700   6.504  -3.191
  544    HD2  PHE  74           HD2      PHE  74  74.203   7.923  -1.150
  545    HE1  PHE  74           HE1      PHE  74  72.131   5.513  -4.958
  546    HE2  PHE  74           HE2      PHE  74  75.633   6.932  -2.917
  547    HZ   PHE  74           HZ       PHE  74  74.597   5.726  -4.820
  548    H    ASP  75           HN       ASP  75  71.912   7.545   1.747
  549    HA   ASP  75           HA       ASP  75  73.808   5.508   2.153
  550   1HB   ASP  75           HB2      ASP  75  72.746   7.791   3.483
  551   2HB   ASP  75           HB1      ASP  75  72.780   6.477   4.660
  552    H    GLU  76           HN       GLU  76  70.578   5.769   3.705
  553    HA   GLU  76           HA       GLU  76  70.706   3.196   4.988
  554   1HB   GLU  76           HB2      GLU  76  68.370   4.938   4.132
  555   2HB   GLU  76           HB1      GLU  76  68.272   3.616   5.293
  556   1HG   GLU  76           HG2      GLU  76  69.783   4.748   6.808
  557   2HG   GLU  76           HG1      GLU  76  70.102   6.009   5.616
  558    H    PHE  77           HN       PHE  77  68.871   4.248   2.085
  559    HA   PHE  77           HA       PHE  77  67.713   1.888   1.254
  560   1HB   PHE  77           HB2      PHE  77  67.706   4.170   0.161
  561   2HB   PHE  77           HB1      PHE  77  69.280   3.777  -0.532
  562    HD1  PHE  77           HD2      PHE  77  66.230   1.664  -0.007
  563    HD2  PHE  77           HD1      PHE  77  68.958   3.413  -2.828
  564    HE1  PHE  77           HE2      PHE  77  65.113   0.436  -1.850
  565    HE2  PHE  77           HE1      PHE  77  67.841   2.185  -4.670
  566    HZ   PHE  77           HZ       PHE  77  65.918   0.696  -4.181
  567    H    LEU  78           HN       LEU  78  71.154   2.720   1.073
  568    HA   LEU  78           HA       LEU  78  71.907   0.429  -0.553
  569   1HB   LEU  78           HB2      LEU  78  73.214   2.606   1.028
  570   2HB   LEU  78           HB1      LEU  78  74.198   1.211   0.582
  571    HG   LEU  78           HG       LEU  78  72.538   2.807  -1.389
  572   1HD1  LEU  78          HD13      LEU  78  74.367   4.174  -0.425
  573   2HD1  LEU  78          HD12      LEU  78  75.522   2.907  -0.843
  574   3HD1  LEU  78          HD11      LEU  78  74.676   3.784  -2.118
  575   1HD2  LEU  78          HD23      LEU  78  74.658   0.657  -1.679
  576   2HD2  LEU  78          HD22      LEU  78  72.955   0.529  -2.121
  577   3HD2  LEU  78          HD21      LEU  78  74.024   1.602  -3.026
  578    H    VAL  79           HN       VAL  79  72.476   1.202   2.910
  579    HA   VAL  79           HA       VAL  79  73.544  -1.272   3.728
  580    HB   VAL  79           HB       VAL  79  71.699   0.691   5.130
  581   1HG1  VAL  79          HG13      VAL  79  73.476  -1.494   6.259
  582   2HG1  VAL  79          HG12      VAL  79  72.669  -0.255   7.221
  583   3HG1  VAL  79          HG11      VAL  79  71.715  -1.441   6.331
  584   1HG2  VAL  79          HG22      VAL  79  74.085   1.280   4.124
  585   2HG2  VAL  79          HG21      VAL  79  73.611   1.873   5.717
  586   3HG2  VAL  79          HG23      VAL  79  74.654   0.457   5.576
  587    H    MET  80           HN       MET  80  70.103  -0.278   4.013
  588    HA   MET  80           HA       MET  80  68.957  -2.645   4.894
  589   1HB   MET  80           HB2      MET  80  66.945  -1.838   3.684
  590   2HB   MET  80           HB1      MET  80  67.789  -0.507   4.476
  591   1HG   MET  80           HG2      MET  80  67.468   0.394   2.364
  592   2HG   MET  80           HG1      MET  80  69.054  -0.351   2.162
  593   1HE   MET  80           HE3      MET  80  65.296  -0.513   1.642
  594   2HE   MET  80           HE2      MET  80  65.000  -2.042   0.817
  595   3HE   MET  80           HE1      MET  80  65.508  -2.043   2.504
  596    H    MET  81           HN       MET  81  70.198  -1.931   1.668
  597    HA   MET  81           HA       MET  81  69.055  -4.293   0.397
  598   1HB   MET  81           HB2      MET  81  70.509  -1.910  -0.267
  599   2HB   MET  81           HB1      MET  81  71.365  -3.291  -0.956
  600   1HG   MET  81           HG2      MET  81  69.099  -4.081  -1.834
  601   2HG   MET  81           HG1      MET  81  68.484  -2.487  -1.400
  602   1HE   MET  81           HE2      MET  81  68.168  -0.992  -2.614
  603   2HE   MET  81           HE1      MET  81  69.591  -0.023  -2.989
  604   3HE   MET  81           HE3      MET  81  68.636  -0.741  -4.295
  605    H    VAL  82           HN       VAL  82  72.461  -3.408   1.086
  606    HA   VAL  82           HA       VAL  82  73.679  -5.881   0.624
  607    HB   VAL  82           HB       VAL  82  74.923  -3.868   1.079
  608   1HG1  VAL  82          HG13      VAL  82  73.461  -3.947   3.726
  609   2HG1  VAL  82          HG12      VAL  82  74.882  -2.938   3.457
  610   3HG1  VAL  82          HG11      VAL  82  73.421  -2.673   2.506
  611   1HG2  VAL  82          HG23      VAL  82  75.305  -6.270   2.685
  612   2HG2  VAL  82          HG22      VAL  82  76.509  -5.264   1.878
  613   3HG2  VAL  82          HG21      VAL  82  75.947  -4.840   3.495
  614    H    ARG  83           HN       ARG  83  71.763  -4.865   3.406
  615    HA   ARG  83           HA       ARG  83  72.518  -7.076   5.129
  616   1HB   ARG  83           HB2      ARG  83  70.285  -5.038   5.038
  617   2HB   ARG  83           HB1      ARG  83  70.402  -6.237   6.326
  618   1HG   ARG  83           HG2      ARG  83  72.676  -5.438   6.867
  619   2HG   ARG  83           HG1      ARG  83  72.556  -4.234   5.583
  620   1HD   ARG  83           HD2      ARG  83  71.906  -2.975   7.452
  621   2HD   ARG  83           HD1      ARG  83  70.331  -3.556   6.874
  622    HE   ARG  83           HE       ARG  83  71.396  -5.562   8.570
  623   1HH1  ARG  83          HH11      ARG  83  71.627  -2.372   9.406
  624   2HH1  ARG  83          HH12      ARG  83  70.513  -2.431  10.731
  625   1HH2  ARG  83          HH21      ARG  83  69.377  -5.620   9.983
  626   2HH2  ARG  83          HH22      ARG  83  69.241  -4.269  11.058
  627    H    CYS  84           HN       CYS  84  70.057  -6.579   2.654
  628    HA   CYS  84           HA       CYS  84  68.875  -9.253   3.306
  629   1HB   CYS  84           HB2      CYS  84  67.851  -6.660   2.604
  630   2HB   CYS  84           HB1      CYS  84  67.376  -7.815   1.358
  631    HG   CYS  84           HG       CYS  84  65.606  -7.949   3.292
  632    H    MET  85           HN       MET  85  70.821  -7.567   1.015
  633    HA   MET  85           HA       MET  85  70.210  -8.860  -1.427
  634   1HB   MET  85           HB2      MET  85  72.498  -7.491  -0.135
  635   2HB   MET  85           HB1      MET  85  72.920  -8.533  -1.494
  636   1HG   MET  85           HG2      MET  85  70.808  -7.297  -2.587
  637   2HG   MET  85           HG1      MET  85  71.290  -6.035  -1.455
  638   1HE   MET  85           HE3      MET  85  72.932  -4.664  -1.485
  639   2HE   MET  85           HE2      MET  85  74.148  -4.365  -2.724
  640   3HE   MET  85           HE1      MET  85  72.446  -4.081  -3.083
  641    H    LYS  86           HN       LYS  86  72.949  -9.762   0.707
  642    HA   LYS  86           HA       LYS  86  73.952 -11.870   1.082
  643   1HB   LYS  86           HB2      LYS  86  71.337 -11.978   1.726
  644   2HB   LYS  86           HB1      LYS  86  71.357 -13.193   0.446
  645   1HG   LYS  86           HG2      LYS  86  71.933 -14.545   2.220
  646   2HG   LYS  86           HG1      LYS  86  73.545 -13.987   1.771
  647   1HD   LYS  86           HD2      LYS  86  73.609 -12.390   3.512
  648   2HD   LYS  86           HD1      LYS  86  71.862 -12.458   3.754
  649   1HE   LYS  86           HE2      LYS  86  72.481 -15.054   4.242
  650   2HE   LYS  86           HE1      LYS  86  73.978 -14.272   4.788
  651   1HZ   LYS  86           HZ2      LYS  86  72.370 -12.585   5.855
  652   2HZ   LYS  86           HZ1      LYS  86  71.215 -13.823   5.716
  653   3HZ   LYS  86           HZ3      LYS  86  72.620 -14.074   6.633
  654    H    ASP  87           HN       ASP  87  74.728 -11.149  -1.328
  655    HA   ASP  87           HA       ASP  87  75.210 -11.842  -3.545
  656   1HB   ASP  87           HB2      ASP  87  75.903 -13.681  -1.663
  657   2HB   ASP  87           HB1      ASP  87  74.851 -14.661  -2.686
  658    H    ASP  88           HN       ASP  88  74.309 -14.359  -4.737
  659    HA   ASP  88           HA       ASP  88  71.441 -13.635  -5.221
  660   1HB   ASP  88           HB2      ASP  88  71.877 -14.730  -7.431
  661   2HB   ASP  88           HB1      ASP  88  72.954 -13.366  -7.124
  662    H    SER  89           HN       SER  89  73.534 -16.073  -3.988
  663    HA   SER  89           HA       SER  89  71.241 -17.849  -3.471
  664   1HB   SER  89           HB2      SER  89  72.076 -19.676  -4.782
  665   2HB   SER  89           HB1      SER  89  72.133 -18.264  -5.832
  666    HG   SER  89           HG       SER  89  74.133 -18.997  -6.031
   
  No H/Q in entry =         666
  Start of MODEL   20
    1   1H    MET   1           HT2      MET   1  77.697  -0.605  18.158
    2   2H    MET   1           HT1      MET   1  78.518   0.762  18.742
    3   3H    MET   1           HT3      MET   1  77.187   0.951  17.708
    4    HA   MET   1           HA       MET   1  78.941   1.272  16.249
    5   1HB   MET   1           HB2      MET   1  80.203  -0.311  18.353
    6   2HB   MET   1           HB1      MET   1  80.764  -0.787  16.750
    7   1HG   MET   1           HG2      MET   1  82.079   1.036  16.698
    8   2HG   MET   1           HG1      MET   1  80.638   2.048  16.767
    9   1HE   MET   1           HE3      MET   1  81.776   3.695  17.511
   10   2HE   MET   1           HE2      MET   1  81.013   4.087  19.050
   11   3HE   MET   1           HE1      MET   1  82.761   3.881  18.969
   12    H    ASP   2           HN       ASP   2  79.026   0.283  14.196
   13    HA   ASP   2           HA       ASP   2  78.335  -2.587  13.931
   14   1HB   ASP   2           HB2      ASP   2  76.404  -1.987  12.457
   15   2HB   ASP   2           HB1      ASP   2  76.181  -1.434  14.116
   16    H    ASP   3           HN       ASP   3  80.762  -1.353  13.268
   17    HA   ASP   3           HA       ASP   3  80.994  -0.326  10.625
   18   1HB   ASP   3           HB2      ASP   3  82.632  -0.716  12.715
   19   2HB   ASP   3           HB1      ASP   3  83.090  -2.128  11.760
   20    H    ILE   4           HN       ILE   4  80.171  -3.484  11.703
   21    HA   ILE   4           HA       ILE   4  81.273  -5.158   9.699
   22    HB   ILE   4           HB       ILE   4  78.587  -5.249  11.112
   23   1HG1  ILE   4          HG12      ILE   4  81.340  -6.299  11.833
   24   2HG1  ILE   4          HG11      ILE   4  80.391  -5.104  12.717
   25   1HG2  ILE   4          HG21      ILE   4  78.750  -6.787   9.166
   26   2HG2  ILE   4          HG23      ILE   4  80.225  -7.470   9.850
   27   3HG2  ILE   4          HG22      ILE   4  78.689  -7.665  10.694
   28   1HD1  ILE   4          HD12      ILE   4  78.593  -6.942  12.916
   29   2HD1  ILE   4          HD11      ILE   4  79.862  -8.062  12.420
   30   3HD1  ILE   4          HD13      ILE   4  80.043  -7.127  13.905
   31    H    TYR   5           HN       TYR   5  77.938  -3.827   9.730
   32    HA   TYR   5           HA       TYR   5  77.418  -4.473   6.974
   33   1HB   TYR   5           HB2      TYR   5  76.203  -2.754   9.123
   34   2HB   TYR   5           HB1      TYR   5  75.565  -2.670   7.481
   35    HD1  TYR   5           HD1      TYR   5  76.139  -4.883  10.393
   36    HD2  TYR   5           HD2      TYR   5  74.350  -4.517   6.505
   37    HE1  TYR   5           HE1      TYR   5  74.873  -6.980  10.778
   38    HE2  TYR   5           HE2      TYR   5  73.084  -6.614   6.890
   39    HH   TYR   5           HH       TYR   5  73.150  -8.252  10.020
   40    H    LYS   6           HN       LYS   6  78.643  -1.560   8.596
   41    HA   LYS   6           HA       LYS   6  78.436   0.331   6.521
   42   1HB   LYS   6           HB2      LYS   6  79.814  -0.060   9.005
   43   2HB   LYS   6           HB1      LYS   6  80.955   0.607   7.838
   44   1HG   LYS   6           HG2      LYS   6  78.431   1.954   7.554
   45   2HG   LYS   6           HG1      LYS   6  78.918   1.991   9.249
   46   1HD   LYS   6           HD2      LYS   6  80.112   3.818   8.535
   47   2HD   LYS   6           HD1      LYS   6  81.290   2.574   8.113
   48   1HE   LYS   6           HE2      LYS   6  80.786   2.683   5.831
   49   2HE   LYS   6           HE1      LYS   6  79.158   3.327   6.122
   50   1HZ   LYS   6           HZ3      LYS   6  81.404   4.885   7.141
   51   2HZ   LYS   6           HZ2      LYS   6  81.185   4.885   5.456
   52   3HZ   LYS   6           HZ1      LYS   6  79.934   5.412   6.478
   53    H    ALA   7           HN       ALA   7  80.555  -2.442   6.805
   54    HA   ALA   7           HA       ALA   7  82.510  -1.595   4.834
   55   1HB   ALA   7           HB1      ALA   7  82.383  -3.478   6.760
   56   2HB   ALA   7           HB3      ALA   7  81.945  -4.471   5.370
   57   3HB   ALA   7           HB2      ALA   7  83.483  -3.610   5.388
   58    H    ALA   8           HN       ALA   8  79.736  -3.868   4.725
   59    HA   ALA   8           HA       ALA   8  79.899  -4.678   2.041
   60   1HB   ALA   8           HB3      ALA   8  78.298  -5.325   3.963
   61   2HB   ALA   8           HB2      ALA   8  77.324  -3.948   3.450
   62   3HB   ALA   8           HB1      ALA   8  77.613  -5.286   2.339
   63    H    VAL   9           HN       VAL   9  78.613  -1.663   3.395
   64    HA   VAL   9           HA       VAL   9  77.396  -0.638   1.013
   65    HB   VAL   9           HB       VAL   9  78.676   0.689   3.425
   66   1HG1  VAL   9          HG11      VAL   9  78.310   2.123   1.311
   67   2HG1  VAL   9          HG13      VAL   9  76.587   1.894   1.607
   68   3HG1  VAL   9          HG12      VAL   9  77.590   2.704   2.811
   69   1HG2  VAL   9          HG23      VAL   9  76.769  -0.916   3.822
   70   2HG2  VAL   9          HG22      VAL   9  76.423   0.742   4.315
   71   3HG2  VAL   9          HG21      VAL   9  75.762   0.115   2.804
   72    H    GLU  10           HN       GLU  10  80.573   0.216   2.461
   73    HA   GLU  10           HA       GLU  10  81.500   1.724   0.209
   74   1HB   GLU  10           HB2      GLU  10  82.279   1.387   2.744
   75   2HB   GLU  10           HB1      GLU  10  83.374   0.222   1.996
   76   1HG   GLU  10           HG2      GLU  10  83.166   2.852   0.638
   77   2HG   GLU  10           HG1      GLU  10  83.951   2.862   2.218
   78    H    GLN  11           HN       GLN  11  81.764  -1.716   1.050
   79    HA   GLN  11           HA       GLN  11  83.700  -2.600  -0.770
   80   1HB   GLN  11           HB2      GLN  11  81.575  -3.643   0.833
   81   2HB   GLN  11           HB1      GLN  11  81.488  -4.418  -0.749
   82   1HG   GLN  11           HG2      GLN  11  83.058  -5.805   0.189
   83   2HG   GLN  11           HG1      GLN  11  84.153  -4.534  -0.357
   84   1HE2  GLN  11          HE22      GLN  11  84.306  -3.095   3.037
   85   2HE2  GLN  11          HE21      GLN  11  84.003  -2.548   1.459
   86    H    LEU  12           HN       LEU  12  80.355  -1.637  -1.391
   87    HA   LEU  12           HA       LEU  12  79.941  -2.684  -3.973
   88   1HB   LEU  12           HB2      LEU  12  79.162  -0.053  -2.678
   89   2HB   LEU  12           HB1      LEU  12  78.477  -0.623  -4.200
   90    HG   LEU  12           HG       LEU  12  78.451  -2.406  -1.779
   91   1HD1  LEU  12          HD13      LEU  12  76.564  -0.131  -2.426
   92   2HD1  LEU  12          HD12      LEU  12  76.099  -1.486  -1.397
   93   3HD1  LEU  12          HD11      LEU  12  77.424  -0.426  -0.915
   94   1HD2  LEU  12          HD22      LEU  12  77.763  -2.856  -4.352
   95   2HD2  LEU  12          HD21      LEU  12  76.941  -3.637  -3.000
   96   3HD2  LEU  12          HD23      LEU  12  76.236  -2.208  -3.757
   97    H    THR  13           HN       THR  13  81.071  -2.362  -5.856
   98    HA   THR  13           HA       THR  13  83.344  -0.719  -6.147
   99    HB   THR  13           HB       THR  13  82.529  -0.959  -8.680
  100    HG1  THR  13           HG1      THR  13  81.128  -3.109  -7.622
  101   1HG2  THR  13          HG22      THR  13  83.687  -2.846  -6.722
  102   2HG2  THR  13          HG21      THR  13  83.063  -3.586  -8.196
  103   3HG2  THR  13          HG23      THR  13  84.300  -2.333  -8.295
  104    H    GLU  14           HN       GLU  14  83.647   1.375  -7.032
  105    HA   GLU  14           HA       GLU  14  81.769   3.403  -6.450
  106   1HB   GLU  14           HB2      GLU  14  84.350   3.068  -7.676
  107   2HB   GLU  14           HB1      GLU  14  83.406   4.212  -8.632
  108   1HG   GLU  14           HG2      GLU  14  83.745   4.382  -5.624
  109   2HG   GLU  14           HG1      GLU  14  84.706   5.302  -6.783
  110    H    GLU  15           HN       GLU  15  82.293   1.581  -9.461
  111    HA   GLU  15           HA       GLU  15  80.467   3.138 -11.075
  112   1HB   GLU  15           HB2      GLU  15  80.682   1.102 -12.559
  113   2HB   GLU  15           HB1      GLU  15  82.227   1.782 -12.048
  114   1HG   GLU  15           HG2      GLU  15  82.739  -0.020 -10.738
  115   2HG   GLU  15           HG1      GLU  15  81.064  -0.264 -10.242
  116    H    GLN  16           HN       GLN  16  80.055   0.573  -8.749
  117    HA   GLN  16           HA       GLN  16  77.474  -0.368  -9.689
  118   1HB   GLN  16           HB2      GLN  16  78.797  -1.812  -8.340
  119   2HB   GLN  16           HB1      GLN  16  79.084  -0.552  -7.139
  120   1HG   GLN  16           HG2      GLN  16  77.190  -1.066  -6.027
  121   2HG   GLN  16           HG1      GLN  16  76.238  -1.036  -7.513
  122   1HE2  GLN  16          HE22      GLN  16  78.151  -4.621  -7.011
  123   2HE2  GLN  16          HE21      GLN  16  79.041  -3.176  -7.001
  124    H    LYS  17           HN       LYS  17  78.157   1.241  -6.572
  125    HA   LYS  17           HA       LYS  17  75.571   2.129  -5.999
  126   1HB   LYS  17           HB2      LYS  17  76.789   3.868  -4.646
  127   2HB   LYS  17           HB1      LYS  17  77.445   2.241  -4.448
  128   1HG   LYS  17           HG2      LYS  17  78.926   3.062  -6.553
  129   2HG   LYS  17           HG1      LYS  17  78.647   4.617  -5.769
  130   1HD   LYS  17           HD2      LYS  17  79.259   2.786  -3.701
  131   2HD   LYS  17           HD1      LYS  17  80.441   2.504  -4.980
  132   1HE   LYS  17           HE2      LYS  17  81.537   4.390  -4.378
  133   2HE   LYS  17           HE1      LYS  17  80.072   5.343  -4.686
  134   1HZ   LYS  17           HZ1      LYS  17  80.203   3.680  -2.271
  135   2HZ   LYS  17           HZ3      LYS  17  81.033   5.160  -2.277
  136   3HZ   LYS  17           HZ2      LYS  17  79.354   5.128  -2.539
  137    H    ASN  18           HN       ASN  18  77.929   3.533  -8.221
  138    HA   ASN  18           HA       ASN  18  76.766   6.104  -8.598
  139   1HB   ASN  18           HB2      ASN  18  78.653   4.277  -9.902
  140   2HB   ASN  18           HB1      ASN  18  77.799   5.301 -11.056
  141   1HD2  ASN  18          HD22      ASN  18  80.662   6.916  -8.709
  142   2HD2  ASN  18          HD21      ASN  18  80.339   5.250  -8.718
  143    H    GLU  19           HN       GLU  19  76.043   2.967 -10.124
  144    HA   GLU  19           HA       GLU  19  74.009   4.101 -11.900
  145   1HB   GLU  19           HB2      GLU  19  75.389   1.572 -11.378
  146   2HB   GLU  19           HB1      GLU  19  73.679   1.337 -11.741
  147   1HG   GLU  19           HG2      GLU  19  75.185   3.254 -13.459
  148   2HG   GLU  19           HG1      GLU  19  75.519   1.535 -13.680
  149    H    PHE  20           HN       PHE  20  74.136   2.926  -8.643
  150    HA   PHE  20           HA       PHE  20  71.288   2.244  -8.453
  151   1HB   PHE  20           HB2      PHE  20  73.655   2.478  -6.599
  152   2HB   PHE  20           HB1      PHE  20  72.033   2.243  -5.949
  153    HD1  PHE  20           HD1      PHE  20  74.000   0.889  -8.853
  154    HD2  PHE  20           HD2      PHE  20  71.533   0.035  -5.443
  155    HE1  PHE  20           HE1      PHE  20  74.147  -1.536  -9.355
  156    HE2  PHE  20           HE2      PHE  20  71.679  -2.389  -5.944
  157    HZ   PHE  20           HZ       PHE  20  72.986  -3.175  -7.899
  158    H    LYS  21           HN       LYS  21  73.313   5.062  -7.952
  159    HA   LYS  21           HA       LYS  21  71.603   6.579  -6.231
  160   1HB   LYS  21           HB2      LYS  21  74.000   7.021  -6.837
  161   2HB   LYS  21           HB1      LYS  21  73.461   7.517  -8.441
  162   1HG   LYS  21           HG2      LYS  21  71.818   9.020  -6.864
  163   2HG   LYS  21           HG1      LYS  21  73.269   8.950  -5.862
  164   1HD   LYS  21           HD2      LYS  21  74.619   9.925  -7.552
  165   2HD   LYS  21           HD1      LYS  21  73.406   9.634  -8.801
  166   1HE   LYS  21           HE2      LYS  21  71.969  11.170  -7.050
  167   2HE   LYS  21           HE1      LYS  21  73.595  11.854  -6.856
  168   1HZ   LYS  21           HZ1      LYS  21  73.722  11.747  -9.370
  169   2HZ   LYS  21           HZ3      LYS  21  72.042  11.515  -9.354
  170   3HZ   LYS  21           HZ2      LYS  21  72.709  12.944  -8.717
  171    H    ALA  22           HN       ALA  22  71.811   6.405  -9.795
  172    HA   ALA  22           HA       ALA  22  69.908   8.364 -10.482
  173   1HB   ALA  22           HB1      ALA  22  71.485   6.675 -11.811
  174   2HB   ALA  22           HB3      ALA  22  69.992   5.745 -11.931
  175   3HB   ALA  22           HB2      ALA  22  70.066   7.383 -12.580
  176    H    ALA  23           HN       ALA  23  69.355   4.919  -9.690
  177    HA   ALA  23           HA       ALA  23  66.517   4.939 -10.118
  178   1HB   ALA  23           HB2      ALA  23  68.445   3.092  -9.648
  179   2HB   ALA  23           HB1      ALA  23  67.716   3.177  -8.044
  180   3HB   ALA  23           HB3      ALA  23  66.726   2.752  -9.442
  181    H    PHE  24           HN       PHE  24  68.487   5.408  -7.172
  182    HA   PHE  24           HA       PHE  24  66.516   5.568  -5.210
  183   1HB   PHE  24           HB2      PHE  24  68.824   5.758  -4.645
  184   2HB   PHE  24           HB1      PHE  24  69.052   7.134  -5.724
  185    HD1  PHE  24           HD2      PHE  24  67.986   9.341  -5.169
  186    HD2  PHE  24           HD1      PHE  24  68.020   6.046  -2.415
  187    HE1  PHE  24           HE2      PHE  24  67.440  10.890  -3.311
  188    HE2  PHE  24           HE1      PHE  24  67.471   7.593  -0.557
  189    HZ   PHE  24           HZ       PHE  24  67.182  10.016  -1.004
  190    H    ASP  25           HN       ASP  25  67.501   8.134  -7.491
  191    HA   ASP  25           HA       ASP  25  65.715  10.145  -6.439
  192   1HB   ASP  25           HB2      ASP  25  67.707   9.793  -8.476
  193   2HB   ASP  25           HB1      ASP  25  66.291  10.554  -9.202
  194    H    ILE  26           HN       ILE  26  65.118   7.311  -8.245
  195    HA   ILE  26           HA       ILE  26  62.823   8.367  -9.753
  196    HB   ILE  26           HB       ILE  26  63.941   5.591  -9.278
  197   1HG1  ILE  26          HG12      ILE  26  64.352   7.740 -11.356
  198   2HG1  ILE  26          HG11      ILE  26  65.567   6.810 -10.480
  199   1HG2  ILE  26          HG23      ILE  26  61.414   6.127 -10.091
  200   2HG2  ILE  26          HG22      ILE  26  62.254   6.224 -11.638
  201   3HG2  ILE  26          HG21      ILE  26  62.339   4.747 -10.680
  202   1HD1  ILE  26          HD12      ILE  26  64.844   4.766 -11.695
  203   2HD1  ILE  26          HD11      ILE  26  63.690   5.741 -12.607
  204   3HD1  ILE  26          HD13      ILE  26  65.422   6.019 -12.794
  205    H    PHE  27           HN       PHE  27  63.392   6.711  -6.693
  206    HA   PHE  27           HA       PHE  27  60.540   6.010  -6.367
  207   1HB   PHE  27           HB2      PHE  27  62.814   5.865  -4.372
  208   2HB   PHE  27           HB1      PHE  27  61.336   4.903  -4.389
  209    HD1  PHE  27           HD2      PHE  27  60.953   3.257  -6.277
  210    HD2  PHE  27           HD1      PHE  27  64.719   5.225  -5.645
  211    HE1  PHE  27           HE2      PHE  27  62.080   1.556  -7.689
  212    HE2  PHE  27           HE1      PHE  27  65.843   3.526  -7.057
  213    HZ   PHE  27           HZ       PHE  27  64.525   1.693  -8.080
  214    H    VAL  28           HN       VAL  28  62.791   8.519  -5.345
  215    HA   VAL  28           HA       VAL  28  61.163   9.549  -3.176
  216    HB   VAL  28           HB       VAL  28  62.806  11.381  -3.294
  217   1HG1  VAL  28          HG13      VAL  28  63.422   8.564  -3.134
  218   2HG1  VAL  28          HG12      VAL  28  64.810   9.457  -3.755
  219   3HG1  VAL  28          HG11      VAL  28  64.098   9.898  -2.203
  220   1HG2  VAL  28          HG21      VAL  28  62.756  11.290  -5.894
  221   2HG2  VAL  28          HG23      VAL  28  64.288  11.669  -5.107
  222   3HG2  VAL  28          HG22      VAL  28  63.991  10.042  -5.721
  223    H    LEU  29           HN       LEU  29  60.602   9.529  -6.463
  224    HA   LEU  29           HA       LEU  29  59.849  12.167  -7.141
  225   1HB   LEU  29           HB2      LEU  29  59.501   9.464  -8.071
  226   2HB   LEU  29           HB1      LEU  29  57.979  10.338  -8.248
  227    HG   LEU  29           HG       LEU  29  59.727  12.226  -9.123
  228   1HD1  LEU  29          HD12      LEU  29  60.953   9.519  -9.571
  229   2HD1  LEU  29          HD11      LEU  29  61.162  10.779 -10.786
  230   3HD1  LEU  29          HD13      LEU  29  61.738  11.038  -9.139
  231   1HD2  LEU  29          HD23      LEU  29  57.641  10.860 -10.156
  232   2HD2  LEU  29          HD22      LEU  29  58.653  11.926 -11.131
  233   3HD2  LEU  29          HD21      LEU  29  58.939  10.185 -11.142
  234    H    GLY  30           HN       GLY  30  58.912  13.056  -5.146
  235   1HA   GLY  30           HA2      GLY  30  56.464  13.770  -4.789
  236   2HA   GLY  30           HA1      GLY  30  56.161  12.048  -4.554
  237    H    ALA  31           HN       ALA  31  59.006  12.042  -3.241
  238    HA   ALA  31           HA       ALA  31  58.194  11.980  -0.535
  239   1HB   ALA  31           HB3      ALA  31  60.267  11.018  -1.510
  240   2HB   ALA  31           HB2      ALA  31  60.904  12.648  -1.731
  241   3HB   ALA  31           HB1      ALA  31  60.622  12.024  -0.106
  242    H    GLU  32           HN       GLU  32  59.861  13.632   0.934
  243    HA   GLU  32           HA       GLU  32  58.564  16.278   0.547
  244   1HB   GLU  32           HB2      GLU  32  60.138  14.955   2.776
  245   2HB   GLU  32           HB1      GLU  32  59.523  16.606   2.873
  246   1HG   GLU  32           HG2      GLU  32  57.685  14.326   2.168
  247   2HG   GLU  32           HG1      GLU  32  58.056  14.693   3.852
  248    H    ASP  33           HN       ASP  33  61.797  14.804   0.750
  249    HA   ASP  33           HA       ASP  33  62.918  17.332  -0.405
  250   1HB   ASP  33           HB2      ASP  33  64.897  16.882   1.116
  251   2HB   ASP  33           HB1      ASP  33  63.411  17.313   1.961
  252    H    GLY  34           HN       GLY  34  62.357  14.145  -0.941
  253   1HA   GLY  34           HA2      GLY  34  63.282  13.201  -3.045
  254   2HA   GLY  34           HA1      GLY  34  64.847  13.863  -2.574
  255    H    CYS  35           HN       CYS  35  62.546  12.132  -0.498
  256    HA   CYS  35           HA       CYS  35  64.691  10.099  -0.002
  257   1HB   CYS  35           HB2      CYS  35  62.473  11.343   1.615
  258   2HB   CYS  35           HB1      CYS  35  63.168   9.799   2.108
  259    HG   CYS  35           HG       CYS  35  64.798  11.352   3.225
  260    H    ILE  36           HN       ILE  36  63.902   7.851   0.355
  261    HA   ILE  36           HA       ILE  36  61.607   7.233  -1.445
  262    HB   ILE  36           HB       ILE  36  63.375   5.133  -0.253
  263   1HG1  ILE  36          HG12      ILE  36  64.293   7.114  -2.367
  264   2HG1  ILE  36          HG11      ILE  36  65.009   6.886  -0.772
  265   1HG2  ILE  36          HG23      ILE  36  61.763   5.626  -2.686
  266   2HG2  ILE  36          HG22      ILE  36  63.265   4.743  -2.949
  267   3HG2  ILE  36          HG21      ILE  36  62.062   4.119  -1.819
  268   1HD1  ILE  36          HD11      ILE  36  64.996   4.322  -1.828
  269   2HD1  ILE  36          HD13      ILE  36  65.395   5.330  -3.220
  270   3HD1  ILE  36          HD12      ILE  36  66.391   5.399  -1.765
  271    H    SER  37           HN       SER  37  60.102   7.948   0.343
  272    HA   SER  37           HA       SER  37  59.833   6.963   2.908
  273   1HB   SER  37           HB2      SER  37  57.261   6.830   1.911
  274   2HB   SER  37           HB1      SER  37  58.063   8.310   2.428
  275    HG   SER  37           HG       SER  37  57.542   7.333  -0.121
  276    H    THR  38           HN       THR  38  58.936   5.053   3.850
  277    HA   THR  38           HA       THR  38  59.550   2.563   2.673
  278    HB   THR  38           HB       THR  38  59.018   3.268   5.105
  279    HG1  THR  38           HG1      THR  38  59.059   1.205   5.409
  280   1HG2  THR  38          HG21      THR  38  56.745   4.162   4.479
  281   2HG2  THR  38          HG23      THR  38  56.229   2.494   4.227
  282   3HG2  THR  38          HG22      THR  38  56.734   3.029   5.831
  283    H    LYS  39           HN       LYS  39  56.783   4.622   2.210
  284    HA   LYS  39           HA       LYS  39  54.829   2.739   1.349
  285   1HB   LYS  39           HB2      LYS  39  55.359   5.597   1.303
  286   2HB   LYS  39           HB1      LYS  39  54.570   5.083  -0.188
  287   1HG   LYS  39           HG2      LYS  39  53.204   3.698   1.814
  288   2HG   LYS  39           HG1      LYS  39  53.466   5.302   2.501
  289   1HD   LYS  39           HD2      LYS  39  52.118   6.329   0.963
  290   2HD   LYS  39           HD1      LYS  39  52.594   5.235  -0.335
  291   1HE   LYS  39           HE2      LYS  39  51.214   3.636   1.552
  292   2HE   LYS  39           HE1      LYS  39  50.243   5.106   1.335
  293   1HZ   LYS  39           HZ3      LYS  39  50.562   4.850  -1.086
  294   2HZ   LYS  39           HZ2      LYS  39  51.331   3.359  -0.811
  295   3HZ   LYS  39           HZ1      LYS  39  49.694   3.563  -0.404
  296    H    GLU  40           HN       GLU  40  57.401   4.428  -0.469
  297    HA   GLU  40           HA       GLU  40  56.741   2.794  -2.879
  298   1HB   GLU  40           HB2      GLU  40  58.376   5.289  -2.350
  299   2HB   GLU  40           HB1      GLU  40  58.337   4.491  -3.922
  300   1HG   GLU  40           HG2      GLU  40  55.873   4.741  -3.976
  301   2HG   GLU  40           HG1      GLU  40  55.936   5.582  -2.427
  302    H    LEU  41           HN       LEU  41  57.997   1.410  -0.722
  303    HA   LEU  41           HA       LEU  41  60.769   1.008  -1.804
  304   1HB   LEU  41           HB2      LEU  41  60.671   1.991   0.462
  305   2HB   LEU  41           HB1      LEU  41  59.662   0.649   1.002
  306    HG   LEU  41           HG       LEU  41  62.183   0.493   1.511
  307   1HD1  LEU  41          HD12      LEU  41  60.240  -1.440   0.821
  308   2HD1  LEU  41          HD11      LEU  41  61.740  -1.954   0.050
  309   3HD1  LEU  41          HD13      LEU  41  61.692  -1.683   1.792
  310   1HD2  LEU  41          HD23      LEU  41  62.714   1.229  -0.916
  311   2HD2  LEU  41          HD22      LEU  41  63.664  -0.094  -0.240
  312   3HD2  LEU  41          HD21      LEU  41  62.343  -0.437  -1.358
  313    H    GLY  42           HN       GLY  42  57.793  -0.495  -0.639
  314   1HA   GLY  42           HA2      GLY  42  58.785  -3.221  -0.835
  315   2HA   GLY  42           HA1      GLY  42  57.092  -2.748  -0.671
  316    H    LYS  43           HN       LYS  43  56.216  -1.608  -2.755
  317    HA   LYS  43           HA       LYS  43  56.190  -3.419  -4.912
  318   1HB   LYS  43           HB2      LYS  43  55.837  -0.403  -5.002
  319   2HB   LYS  43           HB1      LYS  43  55.116  -1.579  -6.103
  320   1HG   LYS  43           HG2      LYS  43  53.367  -1.790  -4.709
  321   2HG   LYS  43           HG1      LYS  43  54.455  -2.393  -3.458
  322   1HD   LYS  43           HD2      LYS  43  54.113  -0.509  -2.280
  323   2HD   LYS  43           HD1      LYS  43  54.823   0.424  -3.598
  324   1HE   LYS  43           HE2      LYS  43  52.225  -0.238  -4.478
  325   2HE   LYS  43           HE1      LYS  43  52.046   0.279  -2.790
  326   1HZ   LYS  43           HZ1      LYS  43  53.770   1.742  -4.698
  327   2HZ   LYS  43           HZ3      LYS  43  52.122   2.106  -4.537
  328   3HZ   LYS  43           HZ2      LYS  43  53.163   2.276  -3.205
  329    H    VAL  44           HN       VAL  44  58.577  -1.064  -4.029
  330    HA   VAL  44           HA       VAL  44  59.811  -0.811  -6.664
  331    HB   VAL  44           HB       VAL  44  60.600  -0.147  -3.814
  332   1HG1  VAL  44          HG12      VAL  44  62.130   0.082  -6.386
  333   2HG1  VAL  44          HG11      VAL  44  62.322   1.335  -5.160
  334   3HG1  VAL  44          HG13      VAL  44  62.712  -0.341  -4.776
  335   1HG2  VAL  44          HG22      VAL  44  59.536   1.391  -6.186
  336   2HG2  VAL  44          HG21      VAL  44  58.874   1.300  -4.553
  337   3HG2  VAL  44          HG23      VAL  44  60.356   2.207  -4.855
  338    H    MET  45           HN       MET  45  60.742  -2.458  -3.618
  339    HA   MET  45           HA       MET  45  63.074  -3.752  -4.434
  340   1HB   MET  45           HB2      MET  45  60.757  -4.618  -2.686
  341   2HB   MET  45           HB1      MET  45  62.260  -5.538  -2.788
  342   1HG   MET  45           HG2      MET  45  62.664  -2.657  -2.357
  343   2HG   MET  45           HG1      MET  45  61.806  -3.459  -1.041
  344   1HE   MET  45           HE1      MET  45  64.549  -3.277  -3.394
  345   2HE   MET  45           HE3      MET  45  65.499  -2.589  -2.071
  346   3HE   MET  45           HE2      MET  45  65.933  -4.157  -2.747
  347    H    ARG  46           HN       ARG  46  59.759  -4.434  -5.371
  348    HA   ARG  46           HA       ARG  46  60.247  -7.083  -6.451
  349   1HB   ARG  46           HB2      ARG  46  58.105  -5.007  -6.427
  350   2HB   ARG  46           HB1      ARG  46  58.016  -6.230  -7.695
  351   1HG   ARG  46           HG2      ARG  46  58.445  -7.914  -5.727
  352   2HG   ARG  46           HG1      ARG  46  57.874  -6.587  -4.714
  353   1HD   ARG  46           HD2      ARG  46  55.835  -6.448  -6.251
  354   2HD   ARG  46           HD1      ARG  46  56.369  -7.997  -6.935
  355    HE   ARG  46           HE       ARG  46  55.423  -7.571  -4.162
  356   1HH1  ARG  46          HH11      ARG  46  57.292  -9.509  -6.294
  357   2HH1  ARG  46          HH12      ARG  46  56.846 -11.007  -5.547
  358   1HH2  ARG  46          HH21      ARG  46  54.665  -9.536  -3.288
  359   2HH2  ARG  46          HH22      ARG  46  55.354 -11.023  -3.848
  360    H    MET  47           HN       MET  47  60.475  -3.792  -7.721
  361    HA   MET  47           HA       MET  47  60.750  -4.695 -10.502
  362   1HB   MET  47           HB2      MET  47  60.576  -2.430 -10.973
  363   2HB   MET  47           HB1      MET  47  59.832  -2.450  -9.378
  364   1HG   MET  47           HG2      MET  47  62.002  -1.834  -8.361
  365   2HG   MET  47           HG1      MET  47  62.739  -1.805  -9.962
  366   1HE   MET  47           HE2      MET  47  63.641   0.248  -9.852
  367   2HE   MET  47           HE1      MET  47  62.831   0.478 -11.399
  368   3HE   MET  47           HE3      MET  47  62.834   1.776 -10.195
  369    H    LEU  48           HN       LEU  48  62.898  -3.428  -7.950
  370    HA   LEU  48           HA       LEU  48  65.303  -3.346  -9.490
  371   1HB   LEU  48           HB2      LEU  48  64.626  -3.691  -6.564
  372   2HB   LEU  48           HB1      LEU  48  66.296  -3.577  -7.120
  373    HG   LEU  48           HG       LEU  48  64.581  -1.509  -8.281
  374   1HD1  LEU  48          HD13      LEU  48  64.970  -1.613  -5.274
  375   2HD1  LEU  48          HD12      LEU  48  64.409  -0.199  -6.165
  376   3HD1  LEU  48          HD11      LEU  48  63.429  -1.665  -6.130
  377   1HD2  LEU  48          HD21      LEU  48  67.201  -1.657  -6.780
  378   2HD2  LEU  48          HD23      LEU  48  66.939  -1.285  -8.484
  379   3HD2  LEU  48          HD22      LEU  48  66.487  -0.113  -7.245
  380    H    GLY  49           HN       GLY  49  63.670  -5.990  -7.797
  381   1HA   GLY  49           HA2      GLY  49  64.153  -8.241  -8.911
  382   2HA   GLY  49           HA1      GLY  49  65.854  -7.825  -8.700
  383    H    GLN  50           HN       GLN  50  63.523  -6.977  -6.235
  384    HA   GLN  50           HA       GLN  50  64.698  -9.113  -4.482
  385   1HB   GLN  50           HB2      GLN  50  63.814  -6.261  -3.964
  386   2HB   GLN  50           HB1      GLN  50  64.187  -7.395  -2.667
  387   1HG   GLN  50           HG2      GLN  50  66.264  -6.412  -2.939
  388   2HG   GLN  50           HG1      GLN  50  66.410  -7.750  -4.079
  389   1HE2  GLN  50          HE22      GLN  50  67.385  -4.634  -5.889
  390   2HE2  GLN  50          HE21      GLN  50  67.982  -5.485  -4.547
  391    H    ASN  51           HN       ASN  51  63.146  -9.668  -2.613
  392    HA   ASN  51           HA       ASN  51  60.274  -9.374  -3.377
  393   1HB   ASN  51           HB2      ASN  51  61.648 -11.992  -2.696
  394   2HB   ASN  51           HB1      ASN  51  59.978 -11.784  -3.222
  395   1HD2  ASN  51          HD22      ASN  51  60.923 -11.083  -6.650
  396   2HD2  ASN  51          HD21      ASN  51  59.780 -10.636  -5.478
  397    HA   PRO  52           HA       PRO  52  61.260  -9.130   1.205
  398   1HB   PRO  52           HB2      PRO  52  60.608  -6.500   1.575
  399   2HB   PRO  52           HB1      PRO  52  62.243  -7.034   1.136
  400   1HG   PRO  52           HG2      PRO  52  60.117  -5.852  -0.569
  401   2HG   PRO  52           HG1      PRO  52  61.871  -5.627  -0.630
  402   1HD   PRO  52           HD2      PRO  52  60.462  -7.251  -2.337
  403   2HD   PRO  52           HD1      PRO  52  62.185  -7.456  -1.955
  404    H    THR  53           HN       THR  53  59.581  -8.592   2.919
  405    HA   THR  53           HA       THR  53  56.839  -9.011   1.811
  406    HB   THR  53           HB       THR  53  56.679  -9.414   4.500
  407    HG1  THR  53           HG1      THR  53  58.805 -10.668   4.724
  408   1HG2  THR  53          HG23      THR  53  56.926 -10.999   2.123
  409   2HG2  THR  53          HG22      THR  53  57.811 -11.788   3.429
  410   3HG2  THR  53          HG21      THR  53  56.102 -11.401   3.631
  411    HA   PRO  54           HA       PRO  54  55.364  -5.138   3.265
  412   1HB   PRO  54           HB2      PRO  54  53.047  -5.768   4.582
  413   2HB   PRO  54           HB1      PRO  54  53.204  -5.846   2.815
  414   1HG   PRO  54           HG2      PRO  54  53.316  -8.042   4.822
  415   2HG   PRO  54           HG1      PRO  54  52.571  -8.018   3.216
  416   1HD   PRO  54           HD2      PRO  54  54.974  -9.190   3.731
  417   2HD   PRO  54           HD1      PRO  54  54.541  -8.501   2.150
  418    H    GLU  55           HN       GLU  55  54.961  -7.601   5.836
  419    HA   GLU  55           HA       GLU  55  55.116  -5.816   8.059
  420   1HB   GLU  55           HB2      GLU  55  55.846  -8.738   7.681
  421   2HB   GLU  55           HB1      GLU  55  55.707  -7.957   9.257
  422   1HG   GLU  55           HG2      GLU  55  53.425  -7.872   9.161
  423   2HG   GLU  55           HG1      GLU  55  53.410  -7.561   7.425
  424    H    GLU  56           HN       GLU  56  57.652  -7.725   6.405
  425    HA   GLU  56           HA       GLU  56  59.828  -6.877   8.073
  426   1HB   GLU  56           HB2      GLU  56  59.536  -7.953   5.262
  427   2HB   GLU  56           HB1      GLU  56  61.121  -7.607   5.955
  428   1HG   GLU  56           HG2      GLU  56  59.897  -9.029   7.976
  429   2HG   GLU  56           HG1      GLU  56  59.274  -9.819   6.528
  430    H    LEU  57           HN       LEU  57  58.312  -5.486   5.194
  431    HA   LEU  57           HA       LEU  57  60.155  -3.620   4.292
  432   1HB   LEU  57           HB2      LEU  57  57.425  -4.127   4.083
  433   2HB   LEU  57           HB1      LEU  57  57.490  -2.479   4.711
  434    HG   LEU  57           HG       LEU  57  59.487  -2.773   2.666
  435   1HD1  LEU  57          HD11      LEU  57  57.418  -4.519   2.160
  436   2HD1  LEU  57          HD13      LEU  57  56.879  -3.060   1.328
  437   3HD1  LEU  57          HD12      LEU  57  58.436  -3.782   0.923
  438   1HD2  LEU  57          HD23      LEU  57  58.117  -0.746   3.572
  439   2HD2  LEU  57          HD22      LEU  57  58.499  -0.795   1.851
  440   3HD2  LEU  57          HD21      LEU  57  56.893  -1.258   2.412
  441    H    GLN  58           HN       GLN  58  57.623  -2.572   6.580
  442    HA   GLN  58           HA       GLN  58  58.917  -0.246   7.500
  443   1HB   GLN  58           HB2      GLN  58  56.526  -1.296   7.848
  444   2HB   GLN  58           HB1      GLN  58  57.246  -1.976   9.307
  445   1HG   GLN  58           HG2      GLN  58  56.962   0.943   8.567
  446   2HG   GLN  58           HG1      GLN  58  56.295   0.111   9.972
  447   1HE2  GLN  58          HE22      GLN  58  60.177   1.379  10.023
  448   2HE2  GLN  58          HE21      GLN  58  59.266   1.462   8.593
  449    H    GLU  59           HN       GLU  59  58.966  -3.519   8.958
  450    HA   GLU  59           HA       GLU  59  60.630  -2.956  11.177
  451   1HB   GLU  59           HB2      GLU  59  59.420  -5.150   9.914
  452   2HB   GLU  59           HB1      GLU  59  61.139  -5.543   9.940
  453   1HG   GLU  59           HG2      GLU  59  60.964  -4.663  12.436
  454   2HG   GLU  59           HG1      GLU  59  59.265  -5.090  12.230
  455    H    MET  60           HN       MET  60  61.709  -4.513   8.130
  456    HA   MET  60           HA       MET  60  64.466  -4.386   8.498
  457   1HB   MET  60           HB2      MET  60  62.751  -5.112   6.525
  458   2HB   MET  60           HB1      MET  60  63.427  -3.647   5.813
  459   1HG   MET  60           HG2      MET  60  65.265  -4.811   5.241
  460   2HG   MET  60           HG1      MET  60  65.599  -5.069   6.953
  461   1HE   MET  60           HE2      MET  60  65.242  -6.811   8.249
  462   2HE   MET  60           HE1      MET  60  63.513  -7.135   8.162
  463   3HE   MET  60           HE3      MET  60  64.676  -8.432   7.856
  464    H    ILE  61           HN       ILE  61  62.504  -1.867   6.846
  465    HA   ILE  61           HA       ILE  61  64.580   0.029   6.482
  466    HB   ILE  61           HB       ILE  61  61.593   0.278   6.929
  467   1HG1  ILE  61          HG12      ILE  61  62.996   0.709   4.321
  468   2HG1  ILE  61          HG11      ILE  61  62.813  -0.948   4.898
  469   1HG2  ILE  61          HG21      ILE  61  63.645   2.336   6.087
  470   2HG2  ILE  61          HG23      ILE  61  61.925   2.512   5.744
  471   3HG2  ILE  61          HG22      ILE  61  62.489   2.445   7.413
  472   1HD1  ILE  61          HD13      ILE  61  60.318  -0.176   5.335
  473   2HD1  ILE  61          HD12      ILE  61  60.704   1.027   4.104
  474   3HD1  ILE  61          HD11      ILE  61  60.826  -0.692   3.727
  475    H    ASP  62           HN       ASP  62  62.679  -0.755   9.339
  476    HA   ASP  62           HA       ASP  62  63.457   1.650  10.815
  477   1HB   ASP  62           HB2      ASP  62  61.343   0.421  11.176
  478   2HB   ASP  62           HB1      ASP  62  62.257  -1.006  11.669
  479    H    GLU  63           HN       GLU  63  65.058  -1.219   9.975
  480    HA   GLU  63           HA       GLU  63  66.631  -1.481  12.451
  481   1HB   GLU  63           HB2      GLU  63  66.478  -2.803   9.751
  482   2HB   GLU  63           HB1      GLU  63  67.850  -3.128  10.810
  483   1HG   GLU  63           HG2      GLU  63  66.220  -3.723  12.630
  484   2HG   GLU  63           HG1      GLU  63  64.920  -3.566  11.448
  485    H    VAL  64           HN       VAL  64  67.432  -0.750   9.024
  486    HA   VAL  64           HA       VAL  64  70.093   0.206   9.680
  487    HB   VAL  64           HB       VAL  64  69.182  -0.825   7.511
  488   1HG1  VAL  64          HG12      VAL  64  67.241   0.920   7.550
  489   2HG1  VAL  64          HG11      VAL  64  68.424   2.007   6.822
  490   3HG1  VAL  64          HG13      VAL  64  67.979   0.511   6.000
  491   1HG2  VAL  64          HG22      VAL  64  71.384   0.549   7.914
  492   2HG2  VAL  64          HG21      VAL  64  70.873   0.204   6.262
  493   3HG2  VAL  64          HG23      VAL  64  70.564   1.791   6.967
  494    H    ASP  65           HN       ASP  65  66.925   1.689   9.427
  495    HA   ASP  65           HA       ASP  65  67.396   4.362   8.907
  496   1HB   ASP  65           HB2      ASP  65  65.438   2.763  10.144
  497   2HB   ASP  65           HB1      ASP  65  65.786   4.043  11.306
  498    H    GLU  66           HN       GLU  66  69.043   5.640   9.669
  499    HA   GLU  66           HA       GLU  66  70.014   5.218  12.464
  500   1HB   GLU  66           HB2      GLU  66  71.209   6.732  10.119
  501   2HB   GLU  66           HB1      GLU  66  72.026   6.342  11.634
  502   1HG   GLU  66           HG2      GLU  66  71.258   3.865  10.944
  503   2HG   GLU  66           HG1      GLU  66  71.359   4.572   9.331
  504    H    ASP  67           HN       ASP  67  67.587   6.881  11.409
  505    HA   ASP  67           HA       ASP  67  68.213   9.277  13.061
  506   1HB   ASP  67           HB2      ASP  67  67.241  10.688  11.198
  507   2HB   ASP  67           HB1      ASP  67  68.783   9.928  10.801
  508    H    GLY  68           HN       GLY  68  66.294   6.746  12.780
  509   1HA   GLY  68           HA2      GLY  68  64.009   6.288  13.159
  510   2HA   GLY  68           HA1      GLY  68  64.182   7.569  14.359
  511    H    SER  69           HN       SER  69  64.327   7.772  10.802
  512    HA   SER  69           HA       SER  69  62.372  10.001  10.903
  513   1HB   SER  69           HB2      SER  69  63.113  10.249   8.528
  514   2HB   SER  69           HB1      SER  69  64.465  10.245   9.655
  515    HG   SER  69           HG       SER  69  64.683   8.850   7.768
  516    H    GLY  70           HN       GLY  70  62.745   6.773   9.438
  517   1HA   GLY  70           HA2      GLY  70  60.740   5.333   9.270
  518   2HA   GLY  70           HA1      GLY  70  59.800   6.787   8.928
  519    H    THR  71           HN       THR  71  61.823   7.899   7.105
  520    HA   THR  71           HA       THR  71  61.075   6.331   4.706
  521    HB   THR  71           HB       THR  71  62.003   8.381   3.579
  522    HG1  THR  71           HG1      THR  71  63.448   8.744   5.466
  523   1HG2  THR  71          HG23      THR  71  59.612   8.063   4.725
  524   2HG2  THR  71          HG22      THR  71  60.197   9.389   5.730
  525   3HG2  THR  71          HG21      THR  71  60.084   9.591   3.981
  526    H    VAL  72           HN       VAL  72  62.825   5.989   3.023
  527    HA   VAL  72           HA       VAL  72  65.350   5.113   4.363
  528    HB   VAL  72           HB       VAL  72  64.428   4.362   1.589
  529   1HG1  VAL  72          HG13      VAL  72  66.417   3.487   3.555
  530   2HG1  VAL  72          HG12      VAL  72  65.459   2.159   2.901
  531   3HG1  VAL  72          HG11      VAL  72  66.360   3.215   1.813
  532   1HG2  VAL  72          HG23      VAL  72  63.383   3.350   4.244
  533   2HG2  VAL  72          HG22      VAL  72  62.456   3.898   2.846
  534   3HG2  VAL  72          HG21      VAL  72  63.324   2.363   2.782
  535    H    ASP  73           HN       ASP  73  66.988   6.585   4.110
  536    HA   ASP  73           HA       ASP  73  67.002   8.437   1.806
  537   1HB   ASP  73           HB2      ASP  73  68.485   8.073   4.397
  538   2HB   ASP  73           HB1      ASP  73  69.168   9.118   3.150
  539    H    PHE  74           HN       PHE  74  69.040   8.654   0.512
  540    HA   PHE  74           HA       PHE  74  69.854   6.371  -0.839
  541   1HB   PHE  74           HB2      PHE  74  70.334   8.777  -1.379
  542   2HB   PHE  74           HB1      PHE  74  71.590   8.762  -0.140
  543    HD1  PHE  74           HD2      PHE  74  70.526   6.356  -2.820
  544    HD2  PHE  74           HD1      PHE  74  73.720   8.639  -1.077
  545    HE1  PHE  74           HE2      PHE  74  72.118   5.368  -4.444
  546    HE2  PHE  74           HE1      PHE  74  75.313   7.651  -2.702
  547    HZ   PHE  74           HZ       PHE  74  74.511   6.013  -4.384
  548    H    ASP  75           HN       ASP  75  71.215   7.679   2.173
  549    HA   ASP  75           HA       ASP  75  73.458   5.896   2.358
  550   1HB   ASP  75           HB2      ASP  75  72.198   7.999   3.810
  551   2HB   ASP  75           HB1      ASP  75  72.410   6.649   4.925
  552    H    GLU  76           HN       GLU  76  70.167   5.727   3.766
  553    HA   GLU  76           HA       GLU  76  70.635   3.119   4.986
  554   1HB   GLU  76           HB2      GLU  76  68.169   4.795   4.420
  555   2HB   GLU  76           HB1      GLU  76  68.155   3.324   5.394
  556   1HG   GLU  76           HG2      GLU  76  69.125   4.348   7.176
  557   2HG   GLU  76           HG1      GLU  76  70.236   5.268   6.162
  558    H    PHE  77           HN       PHE  77  68.743   4.253   2.162
  559    HA   PHE  77           HA       PHE  77  67.569   1.928   1.249
  560   1HB   PHE  77           HB2      PHE  77  67.451   4.146   0.175
  561   2HB   PHE  77           HB1      PHE  77  69.125   3.983  -0.355
  562    HD1  PHE  77           HD2      PHE  77  65.974   1.934  -0.416
  563    HD2  PHE  77           HD1      PHE  77  69.441   3.298  -2.555
  564    HE1  PHE  77           HE2      PHE  77  65.219   0.699  -2.430
  565    HE2  PHE  77           HE1      PHE  77  68.686   2.062  -4.568
  566    HZ   PHE  77           HZ       PHE  77  66.575   0.763  -4.506
  567    H    LEU  78           HN       LEU  78  70.845   2.933   0.166
  568    HA   LEU  78           HA       LEU  78  71.588   0.561  -1.134
  569   1HB   LEU  78           HB2      LEU  78  72.809   2.948  -0.022
  570   2HB   LEU  78           HB1      LEU  78  73.879   1.557   0.166
  571    HG   LEU  78           HG       LEU  78  72.560   2.420  -2.427
  572   1HD1  LEU  78          HD13      LEU  78  75.387   2.670  -1.371
  573   2HD1  LEU  78          HD12      LEU  78  74.974   2.859  -3.074
  574   3HD1  LEU  78          HD11      LEU  78  74.313   3.973  -1.878
  575   1HD2  LEU  78          HD22      LEU  78  73.463  -0.105  -1.639
  576   2HD2  LEU  78          HD21      LEU  78  73.211   0.438  -3.299
  577   3HD2  LEU  78          HD23      LEU  78  74.809   0.564  -2.564
  578    H    VAL  79           HN       VAL  79  72.271   1.406   2.294
  579    HA   VAL  79           HA       VAL  79  73.476  -1.056   3.037
  580    HB   VAL  79           HB       VAL  79  71.721   0.818   4.661
  581   1HG1  VAL  79          HG12      VAL  79  72.340  -1.406   5.700
  582   2HG1  VAL  79          HG11      VAL  79  74.031  -0.929   5.551
  583   3HG1  VAL  79          HG13      VAL  79  72.940   0.001   6.577
  584   1HG2  VAL  79          HG22      VAL  79  74.014   1.444   3.235
  585   2HG2  VAL  79          HG21      VAL  79  73.409   2.332   4.633
  586   3HG2  VAL  79          HG23      VAL  79  74.637   1.085   4.844
  587    H    MET  80           HN       MET  80  70.037  -0.062   3.149
  588    HA   MET  80           HA       MET  80  68.970  -2.410   4.336
  589   1HB   MET  80           HB2      MET  80  68.101  -0.034   2.957
  590   2HB   MET  80           HB1      MET  80  67.176  -1.415   2.366
  591   1HG   MET  80           HG2      MET  80  67.567  -1.334   5.297
  592   2HG   MET  80           HG1      MET  80  66.561  -0.042   4.640
  593   1HE   MET  80           HE3      MET  80  65.213  -0.460   2.682
  594   2HE   MET  80           HE2      MET  80  65.107  -2.059   1.948
  595   3HE   MET  80           HE1      MET  80  63.762  -1.448   2.907
  596    H    MET  81           HN       MET  81  69.758  -1.664   0.953
  597    HA   MET  81           HA       MET  81  68.656  -4.053  -0.212
  598   1HB   MET  81           HB2      MET  81  70.708  -1.969  -0.935
  599   2HB   MET  81           HB1      MET  81  70.473  -3.368  -1.985
  600   1HG   MET  81           HG2      MET  81  67.975  -2.065  -1.109
  601   2HG   MET  81           HG1      MET  81  68.999  -1.066  -2.139
  602   1HE   MET  81           HE3      MET  81  68.228  -0.699  -3.886
  603   2HE   MET  81           HE2      MET  81  68.358  -1.731  -5.308
  604   3HE   MET  81           HE1      MET  81  66.798  -1.533  -4.512
  605    H    VAL  82           HN       VAL  82  72.049  -3.192   0.540
  606    HA   VAL  82           HA       VAL  82  73.209  -5.728   0.027
  607    HB   VAL  82           HB       VAL  82  74.460  -3.648   0.301
  608   1HG1  VAL  82          HG12      VAL  82  73.389  -3.769   3.132
  609   2HG1  VAL  82          HG11      VAL  82  74.693  -2.696   2.628
  610   3HG1  VAL  82          HG13      VAL  82  73.083  -2.515   1.931
  611   1HG2  VAL  82          HG21      VAL  82  75.168  -6.091   1.423
  612   2HG2  VAL  82          HG23      VAL  82  76.258  -4.735   1.139
  613   3HG2  VAL  82          HG22      VAL  82  75.492  -4.934   2.715
  614    H    ARG  83           HN       ARG  83  71.623  -4.448   2.929
  615    HA   ARG  83           HA       ARG  83  72.373  -6.356   4.855
  616   1HB   ARG  83           HB2      ARG  83  70.068  -4.566   4.290
  617   2HB   ARG  83           HB1      ARG  83  69.778  -5.848   5.468
  618   1HG   ARG  83           HG2      ARG  83  72.011  -5.086   6.541
  619   2HG   ARG  83           HG1      ARG  83  71.806  -3.620   5.582
  620   1HD   ARG  83           HD2      ARG  83  70.595  -2.907   7.397
  621   2HD   ARG  83           HD1      ARG  83  69.302  -3.892   6.682
  622    HE   ARG  83           HE       ARG  83  70.070  -5.774   8.124
  623   1HH1  ARG  83          HH11      ARG  83  72.665  -3.995   8.637
  624   2HH1  ARG  83          HH12      ARG  83  72.461  -3.717  10.334
  625   1HH2  ARG  83          HH21      ARG  83  69.172  -4.814  10.388
  626   2HH2  ARG  83          HH22      ARG  83  70.484  -4.182  11.326
  627    H    CYS  84           HN       CYS  84  69.340  -6.490   2.935
  628    HA   CYS  84           HA       CYS  84  68.892  -9.289   3.577
  629   1HB   CYS  84           HB2      CYS  84  67.685  -7.176   1.812
  630   2HB   CYS  84           HB1      CYS  84  67.159  -8.850   1.642
  631    HG   CYS  84           HG       CYS  84  66.229  -8.814   4.027
  632    H    MET  85           HN       MET  85  70.551  -7.570   1.019
  633    HA   MET  85           HA       MET  85  70.528  -9.254  -1.170
  634   1HB   MET  85           HB2      MET  85  72.390  -7.405   0.134
  635   2HB   MET  85           HB1      MET  85  73.217  -8.624  -0.838
  636   1HG   MET  85           HG2      MET  85  71.334  -8.018  -2.604
  637   2HG   MET  85           HG1      MET  85  71.281  -6.505  -1.699
  638   1HE   MET  85           HE2      MET  85  72.034  -4.835  -2.548
  639   2HE   MET  85           HE1      MET  85  73.586  -4.662  -1.733
  640   3HE   MET  85           HE3      MET  85  73.483  -4.502  -3.492
  641    H    LYS  86           HN       LYS  86  72.942  -9.605   1.467
  642    HA   LYS  86           HA       LYS  86  72.598 -12.455   1.725
  643   1HB   LYS  86           HB2      LYS  86  73.495 -12.261  -0.603
  644   2HB   LYS  86           HB1      LYS  86  74.941 -11.491   0.052
  645   1HG   LYS  86           HG2      LYS  86  75.628 -13.716  -0.067
  646   2HG   LYS  86           HG1      LYS  86  75.029 -13.627   1.589
  647   1HD   LYS  86           HD2      LYS  86  73.972 -15.555   0.784
  648   2HD   LYS  86           HD1      LYS  86  72.739 -14.318   0.533
  649   1HE   LYS  86           HE2      LYS  86  72.797 -14.626  -1.712
  650   2HE   LYS  86           HE1      LYS  86  74.566 -14.473  -1.740
  651   1HZ   LYS  86           HZ3      LYS  86  73.091 -16.888  -0.832
  652   2HZ   LYS  86           HZ2      LYS  86  73.813 -16.719  -2.361
  653   3HZ   LYS  86           HZ1      LYS  86  74.775 -16.725  -0.960
  654    H    ASP  87           HN       ASP  87  73.843 -13.220   3.477
  655    HA   ASP  87           HA       ASP  87  76.111 -11.607   4.481
  656   1HB   ASP  87           HB2      ASP  87  75.031 -11.057   6.555
  657   2HB   ASP  87           HB1      ASP  87  73.889 -10.628   5.282
  658    H    ASP  88           HN       ASP  88  75.569 -14.418   3.527
  659    HA   ASP  88           HA       ASP  88  75.604 -16.196   5.811
  660   1HB   ASP  88           HB2      ASP  88  76.209 -17.852   4.071
  661   2HB   ASP  88           HB1      ASP  88  74.895 -16.811   3.521
  662    H    SER  89           HN       SER  89  77.853 -17.844   5.042
  663    HA   SER  89           HA       SER  89  80.069 -16.176   6.160
  664   1HB   SER  89           HB2      SER  89  79.029 -18.883   6.513
  665   2HB   SER  89           HB1      SER  89  80.767 -18.882   6.224
  666    HG   SER  89           HG       SER  89  79.274 -17.676   8.283
   
  No H/Q in entry =         666
  Start of MODEL   21
    1   1H    MET   1           HT1      MET   1  75.238  -4.043  17.084
    2   2H    MET   1           HT3      MET   1  75.030  -5.619  16.493
    3   3H    MET   1           HT2      MET   1  75.953  -5.353  17.895
    4    HA   MET   1           HA       MET   1  77.648  -4.208  16.636
    5   1HB   MET   1           HB2      MET   1  76.935  -6.907  16.625
    6   2HB   MET   1           HB1      MET   1  77.301  -6.561  14.934
    7   1HG   MET   1           HG2      MET   1  79.439  -7.008  15.662
    8   2HG   MET   1           HG1      MET   1  79.379  -5.291  16.057
    9   1HE   MET   1           HE2      MET   1  81.250  -7.555  17.181
   10   2HE   MET   1           HE1      MET   1  81.453  -5.902  17.755
   11   3HE   MET   1           HE3      MET   1  81.341  -7.237  18.911
   12    H    ASP   2           HN       ASP   2  77.186  -2.410  15.333
   13    HA   ASP   2           HA       ASP   2  76.009  -2.984  12.630
   14   1HB   ASP   2           HB2      ASP   2  75.966  -0.408  14.233
   15   2HB   ASP   2           HB1      ASP   2  75.054  -0.755  12.762
   16    H    ASP   3           HN       ASP   3  78.732  -3.374  12.896
   17    HA   ASP   3           HA       ASP   3  79.909  -0.893  11.680
   18   1HB   ASP   3           HB2      ASP   3  82.049  -1.784  12.711
   19   2HB   ASP   3           HB1      ASP   3  80.822  -1.303  13.884
   20    H    ILE   4           HN       ILE   4  79.572  -4.391  11.557
   21    HA   ILE   4           HA       ILE   4  81.529  -4.840   9.463
   22    HB   ILE   4           HB       ILE   4  80.525  -7.068   9.455
   23   1HG1  ILE   4          HG12      ILE   4  78.371  -6.059  11.309
   24   2HG1  ILE   4          HG11      ILE   4  78.143  -6.020   9.561
   25   1HG2  ILE   4          HG22      ILE   4  81.823  -6.042  11.519
   26   2HG2  ILE   4          HG21      ILE   4  80.261  -6.218  12.319
   27   3HG2  ILE   4          HG23      ILE   4  81.071  -7.633  11.645
   28   1HD1  ILE   4          HD12      ILE   4  79.140  -8.562  10.772
   29   2HD1  ILE   4          HD11      ILE   4  77.441  -8.153  11.008
   30   3HD1  ILE   4          HD13      ILE   4  78.089  -8.321   9.377
   31    H    TYR   5           HN       TYR   5  78.165  -3.855   9.529
   32    HA   TYR   5           HA       TYR   5  77.654  -4.502   6.717
   33   1HB   TYR   5           HB2      TYR   5  76.196  -2.777   8.748
   34   2HB   TYR   5           HB1      TYR   5  75.528  -3.323   7.209
   35    HD1  TYR   5           HD1      TYR   5  75.257  -5.802   6.784
   36    HD2  TYR   5           HD2      TYR   5  76.239  -4.208  10.651
   37    HE1  TYR   5           HE1      TYR   5  74.572  -7.939   7.840
   38    HE2  TYR   5           HE2      TYR   5  75.554  -6.345  11.706
   39    HH   TYR   5           HH       TYR   5  74.361  -9.070   9.733
   40    H    LYS   6           HN       LYS   6  78.279  -1.523   8.603
   41    HA   LYS   6           HA       LYS   6  78.017   0.463   6.688
   42   1HB   LYS   6           HB2      LYS   6  80.094  -0.044   8.828
   43   2HB   LYS   6           HB1      LYS   6  80.050   1.466   7.919
   44   1HG   LYS   6           HG2      LYS   6  77.521   1.501   8.581
   45   2HG   LYS   6           HG1      LYS   6  78.009   0.357   9.831
   46   1HD   LYS   6           HD2      LYS   6  78.859   2.022  11.080
   47   2HD   LYS   6           HD1      LYS   6  79.891   2.535   9.745
   48   1HE   LYS   6           HE2      LYS   6  78.216   4.000   8.874
   49   2HE   LYS   6           HE1      LYS   6  76.954   3.278   9.892
   50   1HZ   LYS   6           HZ3      LYS   6  78.445   3.923  11.827
   51   2HZ   LYS   6           HZ2      LYS   6  79.264   4.928  10.729
   52   3HZ   LYS   6           HZ1      LYS   6  77.616   5.183  11.052
   53    H    ALA   7           HN       ALA   7  80.833  -1.695   7.117
   54    HA   ALA   7           HA       ALA   7  82.327  -0.606   4.885
   55   1HB   ALA   7           HB3      ALA   7  82.456  -2.827   6.839
   56   2HB   ALA   7           HB2      ALA   7  83.288  -3.134   5.315
   57   3HB   ALA   7           HB1      ALA   7  83.732  -1.737   6.296
   58    H    ALA   8           HN       ALA   8  80.000  -3.245   5.290
   59    HA   ALA   8           HA       ALA   8  80.357  -4.637   2.855
   60   1HB   ALA   8           HB2      ALA   8  78.666  -4.690   5.023
   61   2HB   ALA   8           HB1      ALA   8  77.575  -4.173   3.736
   62   3HB   ALA   8           HB3      ALA   8  78.464  -5.689   3.584
   63    H    VAL   9           HN       VAL   9  78.495  -1.686   3.556
   64    HA   VAL   9           HA       VAL   9  77.268  -1.390   0.989
   65    HB   VAL   9           HB       VAL   9  78.117   0.575   3.140
   66   1HG1  VAL   9          HG13      VAL   9  76.363   0.926   0.695
   67   2HG1  VAL   9          HG12      VAL   9  76.326   2.027   2.073
   68   3HG1  VAL   9          HG11      VAL   9  77.803   1.848   1.128
   69   1HG2  VAL   9          HG22      VAL   9  76.157  -1.431   3.102
   70   2HG2  VAL   9          HG21      VAL   9  76.258  -0.086   4.239
   71   3HG2  VAL   9          HG23      VAL   9  75.274   0.061   2.783
   72    H    GLU  10           HN       GLU  10  80.459  -0.509   2.226
   73    HA   GLU  10           HA       GLU  10  81.191   1.189  -0.019
   74   1HB   GLU  10           HB2      GLU  10  82.647  -0.217   2.231
   75   2HB   GLU  10           HB1      GLU  10  83.499   0.768   1.042
   76   1HG   GLU  10           HG2      GLU  10  81.092   1.975   2.318
   77   2HG   GLU  10           HG1      GLU  10  82.533   1.809   3.321
   78    H    GLN  11           HN       GLN  11  81.716  -2.231   0.829
   79    HA   GLN  11           HA       GLN  11  83.559  -3.006  -1.137
   80   1HB   GLN  11           HB2      GLN  11  81.569  -4.177   0.603
   81   2HB   GLN  11           HB1      GLN  11  81.581  -5.023  -0.945
   82   1HG   GLN  11           HG2      GLN  11  83.243  -6.161   0.252
   83   2HG   GLN  11           HG1      GLN  11  84.182  -4.977  -0.658
   84   1HE2  GLN  11          HE22      GLN  11  84.660  -4.950   3.239
   85   2HE2  GLN  11          HE21      GLN  11  84.240  -6.289   2.283
   86    H    LEU  12           HN       LEU  12  80.276  -1.945  -1.549
   87    HA   LEU  12           HA       LEU  12  79.641  -3.204  -4.043
   88   1HB   LEU  12           HB2      LEU  12  78.820  -0.508  -2.907
   89   2HB   LEU  12           HB1      LEU  12  77.949  -1.415  -4.143
   90    HG   LEU  12           HG       LEU  12  78.482  -2.373  -1.314
   91   1HD1  LEU  12          HD11      LEU  12  76.637  -0.509  -2.106
   92   2HD1  LEU  12          HD13      LEU  12  75.720  -2.005  -2.288
   93   3HD1  LEU  12          HD12      LEU  12  76.428  -1.589  -0.728
   94   1HD2  LEU  12          HD21      LEU  12  77.626  -3.696  -3.782
   95   2HD2  LEU  12          HD23      LEU  12  78.140  -4.406  -2.252
   96   3HD2  LEU  12          HD22      LEU  12  76.465  -3.899  -2.470
   97    H    THR  13           HN       THR  13  80.514  -2.826  -6.045
   98    HA   THR  13           HA       THR  13  82.667  -1.042  -6.539
   99    HB   THR  13           HB       THR  13  81.646  -1.474  -8.996
  100    HG1  THR  13           HG1      THR  13  79.901  -2.601  -8.832
  101   1HG2  THR  13          HG23      THR  13  83.137  -3.222  -7.082
  102   2HG2  THR  13          HG22      THR  13  82.637  -3.910  -8.627
  103   3HG2  THR  13          HG21      THR  13  83.683  -2.492  -8.592
  104    H    GLU  14           HN       GLU  14  82.720   0.994  -7.635
  105    HA   GLU  14           HA       GLU  14  80.922   2.994  -6.945
  106   1HB   GLU  14           HB2      GLU  14  81.881   4.169  -8.963
  107   2HB   GLU  14           HB1      GLU  14  83.101   3.404  -7.943
  108   1HG   GLU  14           HG2      GLU  14  82.800   1.348  -9.501
  109   2HG   GLU  14           HG1      GLU  14  82.040   2.489 -10.611
  110    H    GLU  15           HN       GLU  15  80.841   1.031  -9.940
  111    HA   GLU  15           HA       GLU  15  78.616   2.237 -11.193
  112   1HB   GLU  15           HB2      GLU  15  78.542   0.184 -12.451
  113   2HB   GLU  15           HB1      GLU  15  80.233   0.458 -12.030
  114   1HG   GLU  15           HG2      GLU  15  79.744  -0.984  -9.939
  115   2HG   GLU  15           HG1      GLU  15  78.291  -1.493 -10.799
  116    H    GLN  16           HN       GLN  16  78.750   0.003  -8.474
  117    HA   GLN  16           HA       GLN  16  75.990  -0.823  -8.512
  118   1HB   GLN  16           HB2      GLN  16  78.086  -1.741  -7.275
  119   2HB   GLN  16           HB1      GLN  16  77.719  -0.521  -6.056
  120   1HG   GLN  16           HG2      GLN  16  76.382  -2.144  -5.181
  121   2HG   GLN  16           HG1      GLN  16  75.253  -1.622  -6.431
  122   1HE2  GLN  16          HE22      GLN  16  75.708  -5.318  -6.777
  123   2HE2  GLN  16          HE21      GLN  16  75.130  -4.292  -5.554
  124    H    LYS  17           HN       LYS  17  77.526   1.338  -6.100
  125    HA   LYS  17           HA       LYS  17  75.179   2.489  -5.072
  126   1HB   LYS  17           HB2      LYS  17  77.948   3.647  -5.523
  127   2HB   LYS  17           HB1      LYS  17  76.738   4.368  -4.460
  128   1HG   LYS  17           HG2      LYS  17  77.209   2.907  -2.813
  129   2HG   LYS  17           HG1      LYS  17  77.043   1.535  -3.909
  130   1HD   LYS  17           HD2      LYS  17  79.280   1.343  -4.170
  131   2HD   LYS  17           HD1      LYS  17  79.478   3.080  -4.405
  132   1HE   LYS  17           HE2      LYS  17  78.768   2.615  -1.659
  133   2HE   LYS  17           HE1      LYS  17  80.142   1.576  -2.085
  134   1HZ   LYS  17           HZ1      LYS  17  79.949   4.464  -2.759
  135   2HZ   LYS  17           HZ3      LYS  17  80.819   3.852  -1.438
  136   3HZ   LYS  17           HZ2      LYS  17  81.284   3.446  -3.020
  137    H    ASN  18           HN       ASN  18  77.080   3.459  -7.923
  138    HA   ASN  18           HA       ASN  18  75.695   5.874  -8.541
  139   1HB   ASN  18           HB2      ASN  18  77.542   3.961  -9.770
  140   2HB   ASN  18           HB1      ASN  18  76.465   4.707 -10.951
  141   1HD2  ASN  18          HD22      ASN  18  79.366   7.000 -10.573
  142   2HD2  ASN  18          HD21      ASN  18  79.126   5.421 -11.149
  143    H    GLU  19           HN       GLU  19  75.118   2.514  -9.636
  144    HA   GLU  19           HA       GLU  19  72.925   2.988 -11.357
  145   1HB   GLU  19           HB2      GLU  19  74.044   0.773  -9.730
  146   2HB   GLU  19           HB1      GLU  19  72.362   0.575 -10.220
  147   1HG   GLU  19           HG2      GLU  19  73.355   1.400 -12.567
  148   2HG   GLU  19           HG1      GLU  19  74.825   0.688 -11.900
  149    H    PHE  20           HN       PHE  20  72.930   2.331  -7.840
  150    HA   PHE  20           HA       PHE  20  70.094   2.479  -7.467
  151   1HB   PHE  20           HB2      PHE  20  72.464   3.031  -5.652
  152   2HB   PHE  20           HB1      PHE  20  70.807   2.847  -5.079
  153    HD1  PHE  20           HD2      PHE  20  69.806   0.699  -6.856
  154    HD2  PHE  20           HD1      PHE  20  73.578   1.108  -4.843
  155    HE1  PHE  20           HE2      PHE  20  70.076  -1.766  -6.861
  156    HE2  PHE  20           HE1      PHE  20  73.848  -1.357  -4.846
  157    HZ   PHE  20           HZ       PHE  20  72.098  -2.794  -5.856
  158    H    LYS  21           HN       LYS  21  72.642   4.942  -7.511
  159    HA   LYS  21           HA       LYS  21  71.343   7.157  -6.392
  160   1HB   LYS  21           HB2      LYS  21  73.698   6.862  -7.387
  161   2HB   LYS  21           HB1      LYS  21  72.961   7.227  -8.949
  162   1HG   LYS  21           HG2      LYS  21  73.615   9.353  -8.256
  163   2HG   LYS  21           HG1      LYS  21  71.957   9.296  -7.658
  164   1HD   LYS  21           HD2      LYS  21  72.982   8.337  -5.485
  165   2HD   LYS  21           HD1      LYS  21  74.520   8.931  -6.110
  166   1HE   LYS  21           HE2      LYS  21  73.317  11.196  -6.435
  167   2HE   LYS  21           HE1      LYS  21  72.062  10.532  -5.371
  168   1HZ   LYS  21           HZ3      LYS  21  74.935  10.378  -4.682
  169   2HZ   LYS  21           HZ2      LYS  21  73.991  11.724  -4.252
  170   3HZ   LYS  21           HZ1      LYS  21  73.598  10.181  -3.659
  171    H    ALA  22           HN       ALA  22  71.172   6.047  -9.796
  172    HA   ALA  22           HA       ALA  22  69.347   8.036 -10.719
  173   1HB   ALA  22           HB1      ALA  22  70.708   6.514 -12.125
  174   2HB   ALA  22           HB3      ALA  22  69.742   5.147 -11.571
  175   3HB   ALA  22           HB2      ALA  22  69.000   6.411 -12.552
  176    H    ALA  23           HN       ALA  23  68.737   4.728  -9.489
  177    HA   ALA  23           HA       ALA  23  65.885   4.822  -9.711
  178   1HB   ALA  23           HB3      ALA  23  67.527   2.865  -9.319
  179   2HB   ALA  23           HB2      ALA  23  67.466   3.321  -7.617
  180   3HB   ALA  23           HB1      ALA  23  65.996   2.808  -8.446
  181    H    PHE  24           HN       PHE  24  68.054   5.548  -6.951
  182    HA   PHE  24           HA       PHE  24  66.237   6.052  -4.917
  183   1HB   PHE  24           HB2      PHE  24  68.595   6.262  -4.561
  184   2HB   PHE  24           HB1      PHE  24  68.743   7.500  -5.808
  185    HD1  PHE  24           HD2      PHE  24  65.874   7.525  -3.527
  186    HD2  PHE  24           HD1      PHE  24  69.822   9.067  -4.228
  187    HE1  PHE  24           HE2      PHE  24  65.488   9.287  -1.825
  188    HE2  PHE  24           HE1      PHE  24  69.435  10.829  -2.526
  189    HZ   PHE  24           HZ       PHE  24  67.269  10.940  -1.325
  190    H    ASP  25           HN       ASP  25  67.100   8.246  -7.597
  191    HA   ASP  25           HA       ASP  25  65.370  10.405  -6.739
  192   1HB   ASP  25           HB2      ASP  25  66.821   9.601  -9.260
  193   2HB   ASP  25           HB1      ASP  25  65.783  11.027  -9.234
  194    H    ILE  26           HN       ILE  26  64.816   7.397  -8.355
  195    HA   ILE  26           HA       ILE  26  62.435   8.166  -9.833
  196    HB   ILE  26           HB       ILE  26  63.480   5.491  -8.850
  197   1HG1  ILE  26          HG12      ILE  26  65.001   6.924 -10.322
  198   2HG1  ILE  26          HG11      ILE  26  64.614   5.323 -10.952
  199   1HG2  ILE  26          HG23      ILE  26  61.502   6.187 -11.038
  200   2HG2  ILE  26          HG22      ILE  26  62.121   4.570 -10.702
  201   3HG2  ILE  26          HG21      ILE  26  61.118   5.396  -9.509
  202   1HD1  ILE  26          HD11      ILE  26  62.705   7.446 -11.703
  203   2HD1  ILE  26          HD13      ILE  26  64.323   7.629 -12.379
  204   3HD1  ILE  26          HD12      ILE  26  63.401   6.158 -12.684
  205    H    PHE  27           HN       PHE  27  63.040   6.596  -6.676
  206    HA   PHE  27           HA       PHE  27  60.269   6.131  -6.047
  207   1HB   PHE  27           HB2      PHE  27  62.535   6.597  -4.099
  208   2HB   PHE  27           HB1      PHE  27  61.151   5.519  -3.920
  209    HD1  PHE  27           HD2      PHE  27  60.963   3.960  -6.268
  210    HD2  PHE  27           HD1      PHE  27  64.524   5.405  -4.350
  211    HE1  PHE  27           HE2      PHE  27  62.265   2.110  -7.289
  212    HE2  PHE  27           HE1      PHE  27  65.824   3.558  -5.371
  213    HZ   PHE  27           HZ       PHE  27  64.694   1.911  -6.839
  214    H    VAL  28           HN       VAL  28  62.444   8.884  -5.557
  215    HA   VAL  28           HA       VAL  28  60.502  10.314  -3.871
  216    HB   VAL  28           HB       VAL  28  62.289  11.944  -3.768
  217   1HG1  VAL  28          HG13      VAL  28  62.620   9.194  -3.176
  218   2HG1  VAL  28          HG12      VAL  28  64.158   9.758  -3.829
  219   3HG1  VAL  28          HG11      VAL  28  63.447  10.560  -2.428
  220   1HG2  VAL  28          HG23      VAL  28  63.362  10.431  -6.159
  221   2HG2  VAL  28          HG22      VAL  28  62.918  12.136  -6.073
  222   3HG2  VAL  28          HG21      VAL  28  64.347  11.554  -5.219
  223    H    LEU  29           HN       LEU  29  59.937   9.575  -6.806
  224    HA   LEU  29           HA       LEU  29  60.034  11.667  -8.618
  225   1HB   LEU  29           HB2      LEU  29  58.255   9.416  -7.975
  226   2HB   LEU  29           HB1      LEU  29  57.454  10.706  -8.872
  227    HG   LEU  29           HG       LEU  29  60.133   9.597  -9.723
  228   1HD1  LEU  29          HD12      LEU  29  57.405   8.466 -10.030
  229   2HD1  LEU  29          HD11      LEU  29  58.387   8.513 -11.493
  230   3HD1  LEU  29          HD13      LEU  29  58.969   7.654 -10.068
  231   1HD2  LEU  29          HD23      LEU  29  58.214  11.600 -10.678
  232   2HD2  LEU  29          HD22      LEU  29  59.910  11.379 -11.109
  233   3HD2  LEU  29          HD21      LEU  29  58.663  10.435 -11.922
  234    H    GLY  30           HN       GLY  30  59.887  13.769  -7.701
  235   1HA   GLY  30           HA2      GLY  30  58.730  15.713  -7.070
  236   2HA   GLY  30           HA1      GLY  30  57.230  14.828  -7.350
  237    H    ALA  31           HN       ALA  31  59.752  13.780  -5.116
  238    HA   ALA  31           HA       ALA  31  57.868  13.441  -2.952
  239   1HB   ALA  31           HB2      ALA  31  60.429  12.620  -3.648
  240   2HB   ALA  31           HB1      ALA  31  60.708  13.659  -2.251
  241   3HB   ALA  31           HB3      ALA  31  59.627  12.272  -2.116
  242    H    GLU  32           HN       GLU  32  58.259  14.548  -0.766
  243    HA   GLU  32           HA       GLU  32  58.220  17.457  -1.147
  244   1HB   GLU  32           HB2      GLU  32  57.901  15.560   1.192
  245   2HB   GLU  32           HB1      GLU  32  57.794  17.311   1.371
  246   1HG   GLU  32           HG2      GLU  32  56.019  17.288  -0.437
  247   2HG   GLU  32           HG1      GLU  32  56.024  15.529  -0.319
  248    H    ASP  33           HN       ASP  33  60.339  15.065   0.429
  249    HA   ASP  33           HA       ASP  33  62.321  17.249   0.960
  250   1HB   ASP  33           HB2      ASP  33  63.149  15.739   2.692
  251   2HB   ASP  33           HB1      ASP  33  61.399  15.890   2.858
  252    H    GLY  34           HN       GLY  34  61.738  14.344  -0.860
  253   1HA   GLY  34           HA2      GLY  34  63.072  13.747  -2.783
  254   2HA   GLY  34           HA1      GLY  34  64.437  14.607  -2.070
  255    H    CYS  35           HN       CYS  35  62.364  12.256  -0.424
  256    HA   CYS  35           HA       CYS  35  64.754  10.453  -0.193
  257   1HB   CYS  35           HB2      CYS  35  62.681  11.419   1.768
  258   2HB   CYS  35           HB1      CYS  35  63.527   9.899   2.055
  259    HG   CYS  35           HG       CYS  35  65.155  11.519   3.101
  260    H    ILE  36           HN       ILE  36  63.955   8.149   0.483
  261    HA   ILE  36           HA       ILE  36  61.695   7.418  -1.329
  262    HB   ILE  36           HB       ILE  36  63.609   5.474  -0.063
  263   1HG1  ILE  36          HG12      ILE  36  64.267   7.149  -2.510
  264   2HG1  ILE  36          HG11      ILE  36  64.968   7.421  -0.914
  265   1HG2  ILE  36          HG22      ILE  36  61.621   5.454  -2.115
  266   2HG2  ILE  36          HG21      ILE  36  63.186   5.148  -2.872
  267   3HG2  ILE  36          HG23      ILE  36  62.625   4.114  -1.559
  268   1HD1  ILE  36          HD12      ILE  36  65.092   4.667  -2.083
  269   2HD1  ILE  36          HD11      ILE  36  66.214   5.890  -2.678
  270   3HD1  ILE  36          HD13      ILE  36  66.205   5.460  -0.967
  271    H    SER  37           HN       SER  37  59.778   7.091  -0.275
  272    HA   SER  37           HA       SER  37  59.671   6.597   2.610
  273   1HB   SER  37           HB2      SER  37  57.944   7.949   1.821
  274   2HB   SER  37           HB1      SER  37  57.784   7.038   0.321
  275    HG   SER  37           HG       SER  37  56.588   6.669   2.759
  276    H    THR  38           HN       THR  38  59.494   4.603   3.574
  277    HA   THR  38           HA       THR  38  59.914   2.153   2.237
  278    HB   THR  38           HB       THR  38  60.146   2.656   4.680
  279    HG1  THR  38           HG1      THR  38  58.416   0.508   4.015
  280   1HG2  THR  38          HG22      THR  38  57.571   3.600   4.420
  281   2HG2  THR  38          HG21      THR  38  57.330   2.059   5.242
  282   3HG2  THR  38          HG23      THR  38  58.384   3.282   5.952
  283    H    LYS  39           HN       LYS  39  57.017   4.042   2.549
  284    HA   LYS  39           HA       LYS  39  55.005   2.046   2.286
  285   1HB   LYS  39           HB2      LYS  39  54.936   4.614   2.727
  286   2HB   LYS  39           HB1      LYS  39  54.920   4.760   0.970
  287   1HG   LYS  39           HG2      LYS  39  52.966   3.097   1.004
  288   2HG   LYS  39           HG1      LYS  39  52.887   3.396   2.741
  289   1HD   LYS  39           HD2      LYS  39  52.421   5.715   2.420
  290   2HD   LYS  39           HD1      LYS  39  52.845   5.636   0.710
  291   1HE   LYS  39           HE2      LYS  39  50.765   4.916   0.132
  292   2HE   LYS  39           HE1      LYS  39  50.723   3.738   1.460
  293   1HZ   LYS  39           HZ1      LYS  39  50.387   6.675   1.775
  294   2HZ   LYS  39           HZ3      LYS  39  49.119   5.548   1.794
  295   3HZ   LYS  39           HZ2      LYS  39  50.301   5.516   3.014
  296    H    GLU  40           HN       GLU  40  57.170   3.498  -0.086
  297    HA   GLU  40           HA       GLU  40  55.769   2.036  -2.286
  298   1HB   GLU  40           HB2      GLU  40  57.561   4.437  -2.041
  299   2HB   GLU  40           HB1      GLU  40  57.473   3.584  -3.584
  300   1HG   GLU  40           HG2      GLU  40  55.707   5.013  -3.913
  301   2HG   GLU  40           HG1      GLU  40  54.840   3.748  -3.042
  302    H    LEU  41           HN       LEU  41  58.346   1.634  -0.178
  303    HA   LEU  41           HA       LEU  41  60.485   0.730  -1.801
  304   1HB   LEU  41           HB2      LEU  41  59.759   0.858   0.908
  305   2HB   LEU  41           HB1      LEU  41  60.107  -0.845   0.608
  306    HG   LEU  41           HG       LEU  41  62.025   1.008  -0.640
  307   1HD1  LEU  41          HD11      LEU  41  61.796   0.801   2.377
  308   2HD1  LEU  41          HD13      LEU  41  63.185   1.468   1.518
  309   3HD1  LEU  41          HD12      LEU  41  61.615   2.267   1.413
  310   1HD2  LEU  41          HD23      LEU  41  61.983  -1.584   0.860
  311   2HD2  LEU  41          HD22      LEU  41  62.718  -1.204  -0.699
  312   3HD2  LEU  41          HD21      LEU  41  63.499  -0.684   0.794
  313    H    GLY  42           HN       GLY  42  57.643  -1.049  -0.571
  314   1HA   GLY  42           HA2      GLY  42  58.297  -3.651  -1.337
  315   2HA   GLY  42           HA1      GLY  42  56.650  -3.018  -1.402
  316    H    LYS  43           HN       LYS  43  56.134  -1.696  -3.406
  317    HA   LYS  43           HA       LYS  43  56.555  -3.170  -5.775
  318   1HB   LYS  43           HB2      LYS  43  55.550  -1.236  -6.846
  319   2HB   LYS  43           HB1      LYS  43  54.810  -1.416  -5.255
  320   1HG   LYS  43           HG2      LYS  43  56.722   0.190  -4.473
  321   2HG   LYS  43           HG1      LYS  43  56.824   0.615  -6.181
  322   1HD   LYS  43           HD2      LYS  43  54.267   0.692  -4.555
  323   2HD   LYS  43           HD1      LYS  43  55.275   2.101  -4.887
  324   1HE   LYS  43           HE2      LYS  43  53.879   2.307  -6.709
  325   2HE   LYS  43           HE1      LYS  43  54.976   1.102  -7.412
  326   1HZ   LYS  43           HZ3      LYS  43  52.857   0.129  -5.652
  327   2HZ   LYS  43           HZ2      LYS  43  52.389   0.661  -7.197
  328   3HZ   LYS  43           HZ1      LYS  43  53.529  -0.589  -7.034
  329    H    VAL  44           HN       VAL  44  58.582  -0.762  -4.240
  330    HA   VAL  44           HA       VAL  44  60.191  -0.120  -6.568
  331    HB   VAL  44           HB       VAL  44  60.457   0.159  -3.569
  332   1HG1  VAL  44          HG12      VAL  44  62.485   0.632  -5.727
  333   2HG1  VAL  44          HG11      VAL  44  62.409   1.762  -4.375
  334   3HG1  VAL  44          HG13      VAL  44  62.722   0.052  -4.078
  335   1HG2  VAL  44          HG23      VAL  44  58.884   1.575  -5.043
  336   2HG2  VAL  44          HG22      VAL  44  59.995   2.453  -3.993
  337   3HG2  VAL  44          HG21      VAL  44  60.349   2.287  -5.711
  338    H    MET  45           HN       MET  45  60.846  -2.143  -3.676
  339    HA   MET  45           HA       MET  45  63.313  -3.236  -4.400
  340   1HB   MET  45           HB2      MET  45  60.923  -4.062  -2.826
  341   2HB   MET  45           HB1      MET  45  62.080  -5.337  -3.213
  342   1HG   MET  45           HG2      MET  45  63.151  -2.741  -2.192
  343   2HG   MET  45           HG1      MET  45  62.373  -3.825  -1.038
  344   1HE   MET  45           HE1      MET  45  64.842  -2.744  -0.787
  345   2HE   MET  45           HE3      MET  45  65.852  -4.073  -0.201
  346   3HE   MET  45           HE2      MET  45  66.227  -3.286  -1.732
  347    H    ARG  46           HN       ARG  46  60.125  -3.945  -5.698
  348    HA   ARG  46           HA       ARG  46  60.806  -6.401  -7.060
  349   1HB   ARG  46           HB2      ARG  46  58.637  -4.326  -7.113
  350   2HB   ARG  46           HB1      ARG  46  58.692  -5.527  -8.405
  351   1HG   ARG  46           HG2      ARG  46  58.643  -7.340  -6.758
  352   2HG   ARG  46           HG1      ARG  46  58.659  -6.167  -5.441
  353   1HD   ARG  46           HD2      ARG  46  56.518  -5.197  -6.592
  354   2HD   ARG  46           HD1      ARG  46  56.439  -6.785  -7.384
  355    HE   ARG  46           HE       ARG  46  56.299  -6.323  -4.445
  356   1HH1  ARG  46          HH21      ARG  46  57.718  -8.838  -4.823
  357   2HH1  ARG  46          HH22      ARG  46  56.449 -10.002  -5.008
  358   1HH2  ARG  46          HH11      ARG  46  54.016  -7.633  -5.706
  359   2HH2  ARG  46          HH12      ARG  46  54.353  -9.320  -5.505
  360    H    MET  47           HN       MET  47  60.717  -2.975  -8.059
  361    HA   MET  47           HA       MET  47  61.297  -3.311 -10.815
  362   1HB   MET  47           HB2      MET  47  61.857  -1.190  -8.740
  363   2HB   MET  47           HB1      MET  47  62.346  -0.965 -10.420
  364   1HG   MET  47           HG2      MET  47  59.659  -1.927 -10.416
  365   2HG   MET  47           HG1      MET  47  59.755  -0.589  -9.273
  366   1HE   MET  47           HE2      MET  47  61.178   1.391  -9.686
  367   2HE   MET  47           HE1      MET  47  60.978   2.379 -11.131
  368   3HE   MET  47           HE3      MET  47  59.574   1.963 -10.138
  369    H    LEU  48           HN       LEU  48  63.571  -2.726  -8.106
  370    HA   LEU  48           HA       LEU  48  65.977  -2.953  -9.621
  371   1HB   LEU  48           HB2      LEU  48  65.410  -3.651  -6.721
  372   2HB   LEU  48           HB1      LEU  48  66.987  -3.238  -7.397
  373    HG   LEU  48           HG       LEU  48  64.563  -1.443  -7.138
  374   1HD1  LEU  48          HD12      LEU  48  66.636  -1.931  -5.400
  375   2HD1  LEU  48          HD11      LEU  48  67.248  -0.550  -6.309
  376   3HD1  LEU  48          HD13      LEU  48  65.710  -0.432  -5.455
  377   1HD2  LEU  48          HD22      LEU  48  67.167  -0.952  -8.621
  378   2HD2  LEU  48          HD21      LEU  48  65.577  -1.128  -9.363
  379   3HD2  LEU  48          HD23      LEU  48  65.919   0.259  -8.328
  380    H    GLY  49           HN       GLY  49  64.035  -5.413  -7.926
  381   1HA   GLY  49           HA2      GLY  49  64.105  -7.631  -9.268
  382   2HA   GLY  49           HA1      GLY  49  65.850  -7.510  -9.035
  383    H    GLN  50           HN       GLN  50  63.502  -6.552  -6.584
  384    HA   GLN  50           HA       GLN  50  64.387  -8.900  -4.936
  385   1HB   GLN  50           HB2      GLN  50  63.710  -6.059  -4.094
  386   2HB   GLN  50           HB1      GLN  50  64.266  -7.346  -3.023
  387   1HG   GLN  50           HG2      GLN  50  66.116  -7.227  -5.167
  388   2HG   GLN  50           HG1      GLN  50  65.835  -5.563  -4.648
  389   1HE2  GLN  50          HE22      GLN  50  68.329  -6.316  -2.207
  390   2HE2  GLN  50          HE21      GLN  50  68.035  -5.533  -3.684
  391    H    ASN  51           HN       ASN  51  62.741  -9.602  -3.333
  392    HA   ASN  51           HA       ASN  51  59.952  -8.720  -3.954
  393   1HB   ASN  51           HB2      ASN  51  59.347 -11.159  -4.036
  394   2HB   ASN  51           HB1      ASN  51  60.436 -10.670  -5.334
  395   1HD2  ASN  51          HD22      ASN  51  61.635 -13.746  -3.288
  396   2HD2  ASN  51          HD21      ASN  51  60.049 -13.327  -3.723
  397    HA   PRO  52           HA       PRO  52  60.965  -9.473   0.578
  398   1HB   PRO  52           HB2      PRO  52  60.717  -6.887   1.434
  399   2HB   PRO  52           HB1      PRO  52  62.254  -7.574   0.875
  400   1HG   PRO  52           HG2      PRO  52  60.340  -5.806  -0.560
  401   2HG   PRO  52           HG1      PRO  52  62.110  -5.818  -0.593
  402   1HD   PRO  52           HD2      PRO  52  60.547  -6.886  -2.565
  403   2HD   PRO  52           HD1      PRO  52  62.197  -7.436  -2.205
  404    H    THR  53           HN       THR  53  59.291  -9.600   2.155
  405    HA   THR  53           HA       THR  53  56.574  -9.421   1.193
  406    HB   THR  53           HB       THR  53  56.503  -9.616   3.963
  407    HG1  THR  53           HG1      THR  53  58.314 -11.081   4.301
  408   1HG2  THR  53          HG21      THR  53  55.881 -11.169   1.796
  409   2HG2  THR  53          HG23      THR  53  57.165 -12.114   2.549
  410   3HG2  THR  53          HG22      THR  53  55.724 -11.690   3.473
  411    HA   PRO  54           HA       PRO  54  55.342  -5.418   2.500
  412   1HB   PRO  54           HB2      PRO  54  53.059  -5.835   3.954
  413   2HB   PRO  54           HB1      PRO  54  53.130  -6.028   2.191
  414   1HG   PRO  54           HG2      PRO  54  53.197  -8.099   4.326
  415   2HG   PRO  54           HG1      PRO  54  52.408  -8.135   2.741
  416   1HD   PRO  54           HD2      PRO  54  54.770  -9.394   3.284
  417   2HD   PRO  54           HD1      PRO  54  54.306  -8.821   1.666
  418    H    GLU  55           HN       GLU  55  55.334  -7.797   5.147
  419    HA   GLU  55           HA       GLU  55  55.574  -5.798   7.257
  420   1HB   GLU  55           HB2      GLU  55  55.563  -8.755   6.920
  421   2HB   GLU  55           HB1      GLU  55  56.379  -8.141   8.359
  422   1HG   GLU  55           HG2      GLU  55  54.422  -7.609   9.345
  423   2HG   GLU  55           HG1      GLU  55  53.849  -6.773   7.901
  424    H    GLU  56           HN       GLU  56  57.820  -7.999   5.572
  425    HA   GLU  56           HA       GLU  56  60.181  -7.541   7.019
  426   1HB   GLU  56           HB2      GLU  56  59.350  -8.401   4.341
  427   2HB   GLU  56           HB1      GLU  56  60.950  -7.660   4.351
  428   1HG   GLU  56           HG2      GLU  56  61.637  -9.175   6.179
  429   2HG   GLU  56           HG1      GLU  56  60.042  -9.928   6.149
  430    H    LEU  57           HN       LEU  57  58.783  -5.570   4.385
  431    HA   LEU  57           HA       LEU  57  60.764  -3.705   3.886
  432   1HB   LEU  57           HB2      LEU  57  57.886  -3.890   3.776
  433   2HB   LEU  57           HB1      LEU  57  58.351  -2.256   4.248
  434    HG   LEU  57           HG       LEU  57  60.026  -2.324   2.316
  435   1HD1  LEU  57          HD11      LEU  57  58.347  -4.767   1.686
  436   2HD1  LEU  57          HD13      LEU  57  59.350  -3.943   0.493
  437   3HD1  LEU  57          HD12      LEU  57  60.096  -4.700   1.901
  438   1HD2  LEU  57          HD23      LEU  57  57.150  -1.920   2.328
  439   2HD2  LEU  57          HD22      LEU  57  58.397  -1.003   1.482
  440   3HD2  LEU  57          HD21      LEU  57  57.700  -2.441   0.735
  441    H    GLN  58           HN       GLN  58  58.205  -2.617   6.091
  442    HA   GLN  58           HA       GLN  58  59.711  -0.715   7.488
  443   1HB   GLN  58           HB2      GLN  58  57.272  -0.985   7.618
  444   2HB   GLN  58           HB1      GLN  58  57.471  -2.525   8.456
  445   1HG   GLN  58           HG2      GLN  58  56.994  -0.524   9.955
  446   2HG   GLN  58           HG1      GLN  58  58.428  -1.459  10.376
  447   1HE2  GLN  58          HE22      GLN  58  60.474   1.383  10.130
  448   2HE2  GLN  58          HE21      GLN  58  60.150  -0.105  10.877
  449    H    GLU  59           HN       GLU  59  59.623  -4.210   7.907
  450    HA   GLU  59           HA       GLU  59  60.893  -4.343  10.488
  451   1HB   GLU  59           HB2      GLU  59  59.635  -6.081   8.916
  452   2HB   GLU  59           HB1      GLU  59  61.273  -6.415   8.351
  453   1HG   GLU  59           HG2      GLU  59  62.007  -6.960  10.586
  454   2HG   GLU  59           HG1      GLU  59  60.473  -6.423  11.273
  455    H    MET  60           HN       MET  60  62.112  -4.082   7.176
  456    HA   MET  60           HA       MET  60  64.902  -4.567   7.912
  457   1HB   MET  60           HB2      MET  60  63.595  -3.375   5.442
  458   2HB   MET  60           HB1      MET  60  65.256  -3.961   5.541
  459   1HG   MET  60           HG2      MET  60  63.649  -6.057   6.530
  460   2HG   MET  60           HG1      MET  60  62.828  -5.463   5.086
  461   1HE   MET  60           HE3      MET  60  63.353  -8.001   5.119
  462   2HE   MET  60           HE2      MET  60  64.484  -8.590   3.902
  463   3HE   MET  60           HE1      MET  60  64.980  -8.511   5.591
  464    H    ILE  61           HN       ILE  61  62.804  -1.755   7.463
  465    HA   ILE  61           HA       ILE  61  65.022   0.166   7.619
  466    HB   ILE  61           HB       ILE  61  61.997   0.415   7.685
  467   1HG1  ILE  61          HG12      ILE  61  63.807   1.176   5.404
  468   2HG1  ILE  61          HG11      ILE  61  63.310  -0.505   5.608
  469   1HG2  ILE  61          HG22      ILE  61  64.223   2.444   7.644
  470   2HG2  ILE  61          HG21      ILE  61  62.662   2.814   6.911
  471   3HG2  ILE  61          HG23      ILE  61  62.759   2.428   8.629
  472   1HD1  ILE  61          HD11      ILE  61  60.960   0.988   5.957
  473   2HD1  ILE  61          HD13      ILE  61  61.780   1.745   4.593
  474   3HD1  ILE  61          HD12      ILE  61  61.395   0.025   4.545
  475    H    ASP  62           HN       ASP  62  63.311  -1.683   9.872
  476    HA   ASP  62           HA       ASP  62  63.388   0.359  12.024
  477   1HB   ASP  62           HB2      ASP  62  61.521  -1.361  11.514
  478   2HB   ASP  62           HB1      ASP  62  62.607  -2.552  12.229
  479    H    GLU  63           HN       GLU  63  65.808  -1.106  10.683
  480    HA   GLU  63           HA       GLU  63  67.103  -1.883  13.272
  481   1HB   GLU  63           HB2      GLU  63  68.227  -3.697  11.934
  482   2HB   GLU  63           HB1      GLU  63  66.479  -3.892  12.057
  483   1HG   GLU  63           HG2      GLU  63  66.184  -3.621   9.829
  484   2HG   GLU  63           HG1      GLU  63  67.287  -2.247   9.769
  485    H    VAL  64           HN       VAL  64  67.391  -0.410  10.086
  486    HA   VAL  64           HA       VAL  64  70.256   0.245  10.647
  487    HB   VAL  64           HB       VAL  64  69.476  -0.970   8.539
  488   1HG1  VAL  64          HG11      VAL  64  67.411   0.410   8.259
  489   2HG1  VAL  64          HG13      VAL  64  68.429   1.795   7.863
  490   3HG1  VAL  64          HG12      VAL  64  68.416   0.382   6.808
  491   1HG2  VAL  64          HG21      VAL  64  70.988   1.646   8.465
  492   2HG2  VAL  64          HG23      VAL  64  71.640   0.007   8.462
  493   3HG2  VAL  64          HG22      VAL  64  70.823   0.634   7.030
  494    H    ASP  65           HN       ASP  65  67.086   1.619  10.489
  495    HA   ASP  65           HA       ASP  65  67.511   4.259   9.638
  496   1HB   ASP  65           HB2      ASP  65  65.538   2.745  10.901
  497   2HB   ASP  65           HB1      ASP  65  65.866   4.046  12.046
  498    H    GLU  66           HN       GLU  66  69.600   5.034  10.300
  499    HA   GLU  66           HA       GLU  66  70.356   5.090  13.131
  500   1HB   GLU  66           HB2      GLU  66  71.737   5.006  10.856
  501   2HB   GLU  66           HB1      GLU  66  71.642   6.761  11.003
  502   1HG   GLU  66           HG2      GLU  66  72.827   6.786  13.028
  503   2HG   GLU  66           HG1      GLU  66  72.490   5.086  13.356
  504    H    ASP  67           HN       ASP  67  68.302   6.960  11.197
  505    HA   ASP  67           HA       ASP  67  68.652   9.343  12.990
  506   1HB   ASP  67           HB2      ASP  67  67.668  10.561  10.983
  507   2HB   ASP  67           HB1      ASP  67  69.261   9.853  10.712
  508    H    GLY  68           HN       GLY  68  66.684   6.731  12.409
  509   1HA   GLY  68           HA2      GLY  68  64.394   6.292  12.752
  510   2HA   GLY  68           HA1      GLY  68  64.587   7.430  14.087
  511    H    SER  69           HN       SER  69  64.893   8.155  10.628
  512    HA   SER  69           HA       SER  69  62.972  10.369  10.934
  513   1HB   SER  69           HB2      SER  69  63.758  10.917   8.677
  514   2HB   SER  69           HB1      SER  69  65.138  10.519   9.696
  515    HG   SER  69           HG       SER  69  64.932   9.489   7.513
  516    H    GLY  70           HN       GLY  70  62.878   7.073   9.983
  517   1HA   GLY  70           HA2      GLY  70  60.937   5.831   9.395
  518   2HA   GLY  70           HA1      GLY  70  60.062   7.350   9.191
  519    H    THR  71           HN       THR  71  62.761   7.961   7.537
  520    HA   THR  71           HA       THR  71  61.654   6.827   4.989
  521    HB   THR  71           HB       THR  71  62.924   8.949   4.102
  522    HG1  THR  71           HG1      THR  71  62.712  10.563   5.891
  523   1HG2  THR  71          HG21      THR  71  60.287   8.610   5.370
  524   2HG2  THR  71          HG23      THR  71  60.813  10.287   5.227
  525   3HG2  THR  71          HG22      THR  71  60.699   9.272   3.789
  526    H    VAL  72           HN       VAL  72  63.277   6.271   3.352
  527    HA   VAL  72           HA       VAL  72  65.901   5.497   4.569
  528    HB   VAL  72           HB       VAL  72  64.564   4.418   2.076
  529   1HG1  VAL  72          HG12      VAL  72  66.996   3.949   2.506
  530   2HG1  VAL  72          HG11      VAL  72  66.526   3.158   4.011
  531   3HG1  VAL  72          HG13      VAL  72  65.992   2.501   2.465
  532   1HG2  VAL  72          HG22      VAL  72  63.036   4.229   4.035
  533   2HG2  VAL  72          HG21      VAL  72  63.612   2.654   3.489
  534   3HG2  VAL  72          HG23      VAL  72  64.313   3.399   4.925
  535    H    ASP  73           HN       ASP  73  67.543   6.838   3.932
  536    HA   ASP  73           HA       ASP  73  67.317   8.393   1.422
  537   1HB   ASP  73           HB2      ASP  73  68.140   9.087   3.835
  538   2HB   ASP  73           HB1      ASP  73  69.668   8.391   3.296
  539    H    PHE  74           HN       PHE  74  69.485   8.507   0.120
  540    HA   PHE  74           HA       PHE  74  70.043   6.051  -1.122
  541   1HB   PHE  74           HB2      PHE  74  70.610   8.264  -2.019
  542   2HB   PHE  74           HB1      PHE  74  71.795   8.501  -0.735
  543    HD1  PHE  74           HD2      PHE  74  70.922   6.205  -3.559
  544    HD2  PHE  74           HD1      PHE  74  74.009   7.758  -1.007
  545    HE1  PHE  74           HE2      PHE  74  72.634   5.032  -4.917
  546    HE2  PHE  74           HE1      PHE  74  75.722   6.585  -2.365
  547    HZ   PHE  74           HZ       PHE  74  75.035   5.222  -4.318
  548    H    ASP  75           HN       ASP  75  71.563   7.502   1.735
  549    HA   ASP  75           HA       ASP  75  73.727   5.579   1.925
  550   1HB   ASP  75           HB2      ASP  75  72.431   7.301   4.062
  551   2HB   ASP  75           HB1      ASP  75  74.074   6.658   4.079
  552    H    GLU  76           HN       GLU  76  70.609   5.933   3.667
  553    HA   GLU  76           HA       GLU  76  70.925   3.441   5.132
  554   1HB   GLU  76           HB2      GLU  76  68.482   5.139   4.513
  555   2HB   GLU  76           HB1      GLU  76  68.603   3.936   5.796
  556   1HG   GLU  76           HG2      GLU  76  70.603   5.287   6.664
  557   2HG   GLU  76           HG1      GLU  76  70.077   6.564   5.566
  558    H    PHE  77           HN       PHE  77  69.267   4.427   2.153
  559    HA   PHE  77           HA       PHE  77  67.725   2.115   1.638
  560   1HB   PHE  77           HB2      PHE  77  67.760   4.321   0.424
  561   2HB   PHE  77           HB1      PHE  77  69.274   3.828  -0.332
  562    HD1  PHE  77           HD1      PHE  77  66.135   1.927   0.435
  563    HD2  PHE  77           HD2      PHE  77  68.847   3.342  -2.579
  564    HE1  PHE  77           HE1      PHE  77  64.864   0.683  -1.293
  565    HE2  PHE  77           HE2      PHE  77  67.578   2.098  -4.307
  566    HZ   PHE  77           HZ       PHE  77  65.585   0.769  -3.664
  567    H    LEU  78           HN       LEU  78  71.162   2.763   0.968
  568    HA   LEU  78           HA       LEU  78  71.623   0.266  -0.446
  569   1HB   LEU  78           HB2      LEU  78  73.222   2.524   0.718
  570   2HB   LEU  78           HB1      LEU  78  74.065   1.054   0.228
  571    HG   LEU  78           HG       LEU  78  72.204   2.655  -1.551
  572   1HD1  LEU  78          HD11      LEU  78  75.118   2.776  -1.003
  573   2HD1  LEU  78          HD13      LEU  78  74.654   2.809  -2.704
  574   3HD1  LEU  78          HD12      LEU  78  74.032   4.032  -1.597
  575   1HD2  LEU  78          HD23      LEU  78  73.045  -0.022  -1.698
  576   2HD2  LEU  78          HD22      LEU  78  72.330   0.927  -3.001
  577   3HD2  LEU  78          HD21      LEU  78  74.084   0.844  -2.831
  578    H    VAL  79           HN       VAL  79  72.397   1.410   2.865
  579    HA   VAL  79           HA       VAL  79  73.719  -0.847   3.868
  580    HB   VAL  79           HB       VAL  79  71.634   0.843   5.288
  581   1HG1  VAL  79          HG13      VAL  79  74.041  -0.751   6.193
  582   2HG1  VAL  79          HG12      VAL  79  73.291   0.486   7.201
  583   3HG1  VAL  79          HG11      VAL  79  72.365  -0.933   6.711
  584   1HG2  VAL  79          HG21      VAL  79  73.945   1.691   3.902
  585   2HG2  VAL  79          HG23      VAL  79  72.984   2.633   5.041
  586   3HG2  VAL  79          HG22      VAL  79  74.375   1.712   5.612
  587    H    MET  80           HN       MET  80  70.185  -0.239   4.121
  588    HA   MET  80           HA       MET  80  69.353  -2.626   5.279
  589   1HB   MET  80           HB2      MET  80  68.274  -0.541   3.534
  590   2HB   MET  80           HB1      MET  80  67.472  -2.093   3.287
  591   1HG   MET  80           HG2      MET  80  66.578  -2.123   5.398
  592   2HG   MET  80           HG1      MET  80  67.962  -1.293   6.108
  593   1HE   MET  80           HE2      MET  80  66.359  -0.311   2.877
  594   2HE   MET  80           HE1      MET  80  64.848  -0.764   3.661
  595   3HE   MET  80           HE3      MET  80  65.162   0.928   3.248
  596    H    MET  81           HN       MET  81  69.952  -2.038   1.810
  597    HA   MET  81           HA       MET  81  69.301  -4.673   0.894
  598   1HB   MET  81           HB2      MET  81  70.659  -2.217  -0.038
  599   2HB   MET  81           HB1      MET  81  71.148  -3.693  -0.873
  600   1HG   MET  81           HG2      MET  81  68.699  -4.210  -1.214
  601   2HG   MET  81           HG1      MET  81  68.335  -2.606  -0.578
  602   1HE   MET  81           HE1      MET  81  67.510  -1.348  -1.770
  603   2HE   MET  81           HE3      MET  81  68.458  -0.277  -2.811
  604   3HE   MET  81           HE2      MET  81  67.370  -1.467  -3.522
  605    H    VAL  82           HN       VAL  82  72.410  -3.194   1.868
  606    HA   VAL  82           HA       VAL  82  74.053  -5.461   1.279
  607    HB   VAL  82           HB       VAL  82  74.358  -2.850   2.089
  608   1HG1  VAL  82          HG11      VAL  82  75.142  -4.636   4.408
  609   2HG1  VAL  82          HG13      VAL  82  75.726  -2.985   4.195
  610   3HG1  VAL  82          HG12      VAL  82  74.006  -3.288   4.442
  611   1HG2  VAL  82          HG21      VAL  82  76.388  -5.098   2.141
  612   2HG2  VAL  82          HG23      VAL  82  75.952  -4.107   0.749
  613   3HG2  VAL  82          HG22      VAL  82  76.793  -3.382   2.119
  614    H    ARG  83           HN       ARG  83  72.137  -4.589   4.126
  615    HA   ARG  83           HA       ARG  83  73.205  -6.630   5.877
  616   1HB   ARG  83           HB2      ARG  83  70.661  -4.986   5.767
  617   2HB   ARG  83           HB1      ARG  83  71.022  -6.082   7.101
  618   1HG   ARG  83           HG2      ARG  83  73.164  -4.874   7.481
  619   2HG   ARG  83           HG1      ARG  83  72.724  -3.740   6.204
  620   1HD   ARG  83           HD2      ARG  83  71.064  -2.733   7.481
  621   2HD   ARG  83           HD1      ARG  83  70.766  -4.202   8.433
  622    HE   ARG  83           HE       ARG  83  73.058  -2.339   8.821
  623   1HH1  ARG  83          HH11      ARG  83  73.535  -5.355   9.284
  624   2HH1  ARG  83          HH12      ARG  83  73.286  -5.453  10.995
  625   1HH2  ARG  83          HH21      ARG  83  71.746  -2.354  11.216
  626   2HH2  ARG  83          HH22      ARG  83  72.275  -3.753  12.089
  627    H    CYS  84           HN       CYS  84  70.661  -6.551   3.441
  628    HA   CYS  84           HA       CYS  84  69.838  -9.330   4.167
  629   1HB   CYS  84           HB2      CYS  84  68.217  -7.368   3.922
  630   2HB   CYS  84           HB1      CYS  84  68.583  -7.400   2.197
  631    HG   CYS  84           HG       CYS  84  67.812 -10.078   2.468
  632    H    MET  85           HN       MET  85  71.951  -7.745   2.103
  633    HA   MET  85           HA       MET  85  71.582  -9.009  -0.418
  634   1HB   MET  85           HB2      MET  85  73.621  -7.535   1.075
  635   2HB   MET  85           HB1      MET  85  74.326  -8.710  -0.035
  636   1HG   MET  85           HG2      MET  85  73.001  -7.785  -1.885
  637   2HG   MET  85           HG1      MET  85  72.246  -6.633  -0.784
  638   1HE   MET  85           HE3      MET  85  72.610  -4.830  -1.975
  639   2HE   MET  85           HE2      MET  85  73.350  -4.081  -0.563
  640   3HE   MET  85           HE1      MET  85  74.095  -3.884  -2.148
  641    H    LYS  86           HN       LYS  86  72.896 -10.222   2.601
  642    HA   LYS  86           HA       LYS  86  73.681 -12.372   3.194
  643   1HB   LYS  86           HB2      LYS  86  72.030 -12.918   0.708
  644   2HB   LYS  86           HB1      LYS  86  72.624 -14.182   1.785
  645   1HG   LYS  86           HG2      LYS  86  71.443 -13.044   3.682
  646   2HG   LYS  86           HG1      LYS  86  70.749 -11.915   2.516
  647   1HD   LYS  86           HD2      LYS  86  69.275 -13.452   1.713
  648   2HD   LYS  86           HD1      LYS  86  70.446 -14.767   1.808
  649   1HE   LYS  86           HE2      LYS  86  70.137 -14.612   4.375
  650   2HE   LYS  86           HE1      LYS  86  68.676 -13.676   4.001
  651   1HZ   LYS  86           HZ1      LYS  86  69.095 -16.074   2.415
  652   2HZ   LYS  86           HZ3      LYS  86  68.719 -16.339   4.047
  653   3HZ   LYS  86           HZ2      LYS  86  67.660 -15.441   3.068
  654    H    ASP  87           HN       ASP  87  75.453 -10.729   1.578
  655    HA   ASP  87           HA       ASP  87  76.610 -11.899  -0.683
  656   1HB   ASP  87           HB2      ASP  87  77.133  -9.747   0.689
  657   2HB   ASP  87           HB1      ASP  87  78.243 -10.777   1.593
  658    H    ASP  88           HN       ASP  88  77.933 -12.377   2.617
  659    HA   ASP  88           HA       ASP  88  78.984 -14.266   3.576
  660   1HB   ASP  88           HB2      ASP  88  76.683 -15.122   2.817
  661   2HB   ASP  88           HB1      ASP  88  77.517 -15.797   1.417
  662    H    SER  89           HN       SER  89  81.002 -15.203   3.256
  663    HA   SER  89           HA       SER  89  82.204 -14.931   0.550
  664   1HB   SER  89           HB2      SER  89  83.261 -15.452   3.342
  665   2HB   SER  89           HB1      SER  89  84.295 -15.417   1.916
  666    HG   SER  89           HG       SER  89  83.766 -13.385   3.284
   
  No H/Q in entry =         666
  Start of MODEL   22
    1   1H    MET   1           HT1      MET   1  80.722  -0.608  16.733
    2   2H    MET   1           HT3      MET   1  80.395   1.053  16.619
    3   3H    MET   1           HT2      MET   1  80.496   0.312  18.145
    4    HA   MET   1           HA       MET   1  78.468  -0.814  17.880
    5   1HB   MET   1           HB2      MET   1  78.809   1.986  17.587
    6   2HB   MET   1           HB1      MET   1  77.482   1.532  16.517
    7   1HG   MET   1           HG2      MET   1  76.319   0.428  18.348
    8   2HG   MET   1           HG1      MET   1  77.680   0.721  19.431
    9   1HE   MET   1           HE1      MET   1  76.583   1.559  21.092
   10   2HE   MET   1           HE3      MET   1  77.579   3.021  21.097
   11   3HE   MET   1           HE2      MET   1  75.831   3.141  21.286
   12    H    ASP   2           HN       ASP   2  78.429   1.174  14.924
   13    HA   ASP   2           HA       ASP   2  77.583  -1.272  13.406
   14   1HB   ASP   2           HB2      ASP   2  76.898   1.671  13.198
   15   2HB   ASP   2           HB1      ASP   2  76.450   0.499  11.957
   16    H    ASP   3           HN       ASP   3  79.791  -1.803  12.791
   17    HA   ASP   3           HA       ASP   3  80.972   0.121  10.813
   18   1HB   ASP   3           HB2      ASP   3  82.211  -1.594  12.973
   19   2HB   ASP   3           HB1      ASP   3  83.170  -0.931  11.650
   20    H    ILE   4           HN       ILE   4  79.835  -3.068  11.427
   21    HA   ILE   4           HA       ILE   4  81.449  -4.473   9.460
   22    HB   ILE   4           HB       ILE   4  79.896  -6.277   9.930
   23   1HG1  ILE   4          HG12      ILE   4  78.143  -4.144  11.195
   24   2HG1  ILE   4          HG11      ILE   4  77.819  -4.948   9.658
   25   1HG2  ILE   4          HG23      ILE   4  81.400  -5.047  11.828
   26   2HG2  ILE   4          HG22      ILE   4  79.808  -4.949  12.580
   27   3HG2  ILE   4          HG21      ILE   4  80.475  -6.517  12.129
   28   1HD1  ILE   4          HD13      ILE   4  78.358  -6.838  11.829
   29   2HD1  ILE   4          HD12      ILE   4  76.950  -5.822  12.141
   30   3HD1  ILE   4          HD11      ILE   4  77.023  -6.803  10.677
   31    H    TYR   5           HN       TYR   5  78.583  -2.487   9.335
   32    HA   TYR   5           HA       TYR   5  77.859  -3.451   6.622
   33   1HB   TYR   5           HB2      TYR   5  76.681  -1.422   8.548
   34   2HB   TYR   5           HB1      TYR   5  75.959  -1.847   6.995
   35    HD1  TYR   5           HD2      TYR   5  75.409  -4.325   6.562
   36    HD2  TYR   5           HD1      TYR   5  76.275  -2.742  10.460
   37    HE1  TYR   5           HE2      TYR   5  74.331  -6.300   7.603
   38    HE2  TYR   5           HE1      TYR   5  75.196  -4.717  11.501
   39    HH   TYR   5           HH       TYR   5  73.224  -6.839   9.807
   40    H    LYS   6           HN       LYS   6  78.874  -0.428   8.247
   41    HA   LYS   6           HA       LYS   6  78.923   1.374   6.133
   42   1HB   LYS   6           HB2      LYS   6  80.176   0.983   8.694
   43   2HB   LYS   6           HB1      LYS   6  81.366   1.641   7.572
   44   1HG   LYS   6           HG2      LYS   6  78.747   2.929   7.325
   45   2HG   LYS   6           HG1      LYS   6  79.453   3.116   8.931
   46   1HD   LYS   6           HD2      LYS   6  81.205   4.381   8.165
   47   2HD   LYS   6           HD1      LYS   6  81.289   3.522   6.627
   48   1HE   LYS   6           HE2      LYS   6  80.341   5.443   5.798
   49   2HE   LYS   6           HE1      LYS   6  78.835   4.740   6.423
   50   1HZ   LYS   6           HZ1      LYS   6  79.382   5.767   8.596
   51   2HZ   LYS   6           HZ3      LYS   6  80.678   6.574   7.860
   52   3HZ   LYS   6           HZ2      LYS   6  79.085   6.907   7.371
   53    H    ALA   7           HN       ALA   7  80.955  -1.437   6.607
   54    HA   ALA   7           HA       ALA   7  82.963  -0.660   4.618
   55   1HB   ALA   7           HB1      ALA   7  82.614  -2.550   6.705
   56   2HB   ALA   7           HB3      ALA   7  82.843  -3.480   5.225
   57   3HB   ALA   7           HB2      ALA   7  84.057  -2.302   5.721
   58    H    ALA   8           HN       ALA   8  80.408  -3.176   4.770
   59    HA   ALA   8           HA       ALA   8  80.661  -4.150   2.126
   60   1HB   ALA   8           HB2      ALA   8  79.037  -4.506   4.369
   61   2HB   ALA   8           HB1      ALA   8  77.914  -3.994   3.109
   62   3HB   ALA   8           HB3      ALA   8  78.929  -5.414   2.861
   63    H    VAL   9           HN       VAL   9  79.028  -1.264   3.352
   64    HA   VAL   9           HA       VAL   9  77.571  -0.691   0.903
   65    HB   VAL   9           HB       VAL   9  78.399   0.953   3.316
   66   1HG1  VAL   9          HG11      VAL   9  77.273   1.778   0.796
   67   2HG1  VAL   9          HG13      VAL   9  76.078   2.002   2.073
   68   3HG1  VAL   9          HG12      VAL   9  77.662   2.766   2.203
   69   1HG2  VAL   9          HG23      VAL   9  75.940  -0.621   2.537
   70   2HG2  VAL   9          HG22      VAL   9  76.909  -0.763   4.005
   71   3HG2  VAL   9          HG21      VAL   9  75.876   0.646   3.762
   72    H    GLU  10           HN       GLU  10  80.657   0.433   2.303
   73    HA   GLU  10           HA       GLU  10  81.212   2.249   0.077
   74   1HB   GLU  10           HB2      GLU  10  82.084   2.851   2.192
   75   2HB   GLU  10           HB1      GLU  10  82.649   1.212   2.521
   76   1HG   GLU  10           HG2      GLU  10  84.539   1.452   1.218
   77   2HG   GLU  10           HG1      GLU  10  83.781   2.628   0.145
   78    H    GLN  11           HN       GLN  11  81.980  -1.082   0.926
   79    HA   GLN  11           HA       GLN  11  84.197  -1.516  -0.813
   80   1HB   GLN  11           HB2      GLN  11  82.313  -2.990   0.824
   81   2HB   GLN  11           HB1      GLN  11  82.648  -3.868  -0.668
   82   1HG   GLN  11           HG2      GLN  11  84.319  -4.555   0.905
   83   2HG   GLN  11           HG1      GLN  11  85.117  -3.454  -0.218
   84   1HE2  GLN  11          HE22      GLN  11  84.689  -2.388   3.697
   85   2HE2  GLN  11          HE21      GLN  11  83.964  -3.806   3.106
   86    H    LEU  12           HN       LEU  12  80.740  -1.331  -1.454
   87    HA   LEU  12           HA       LEU  12  80.366  -2.697  -3.826
   88   1HB   LEU  12           HB2      LEU  12  79.514   0.068  -2.939
   89   2HB   LEU  12           HB1      LEU  12  78.880  -0.680  -4.405
   90    HG   LEU  12           HG       LEU  12  78.795  -2.058  -1.715
   91   1HD1  LEU  12          HD11      LEU  12  77.062   0.063  -2.862
   92   2HD1  LEU  12          HD13      LEU  12  76.227  -1.322  -2.157
   93   3HD1  LEU  12          HD12      LEU  12  77.343  -0.371  -1.176
   94   1HD2  LEU  12          HD22      LEU  12  78.459  -3.083  -4.199
   95   2HD2  LEU  12          HD21      LEU  12  77.585  -3.683  -2.789
   96   3HD2  LEU  12          HD23      LEU  12  76.815  -2.530  -3.880
   97    H    THR  13           HN       THR  13  80.552  -2.023  -6.107
   98    HA   THR  13           HA       THR  13  83.065  -0.501  -6.597
   99    HB   THR  13           HB       THR  13  82.170  -1.614  -8.979
  100    HG1  THR  13           HG1      THR  13  81.838  -3.843  -7.682
  101   1HG2  THR  13          HG21      THR  13  84.153  -2.208  -6.888
  102   2HG2  THR  13          HG23      THR  13  83.713  -3.601  -7.876
  103   3HG2  THR  13          HG22      THR  13  84.349  -2.144  -8.640
  104    H    GLU  14           HN       GLU  14  82.925   0.675  -8.879
  105    HA   GLU  14           HA       GLU  14  81.108   2.878  -8.632
  106   1HB   GLU  14           HB2      GLU  14  83.154   1.832 -10.502
  107   2HB   GLU  14           HB1      GLU  14  81.970   2.922 -11.224
  108   1HG   GLU  14           HG2      GLU  14  83.530   4.460 -10.464
  109   2HG   GLU  14           HG1      GLU  14  82.472   4.366  -9.055
  110    H    GLU  15           HN       GLU  15  81.135   0.092 -10.889
  111    HA   GLU  15           HA       GLU  15  78.910   0.648 -12.465
  112   1HB   GLU  15           HB2      GLU  15  78.635  -1.923 -12.365
  113   2HB   GLU  15           HB1      GLU  15  80.205  -1.303 -12.875
  114   1HG   GLU  15           HG2      GLU  15  81.242  -2.206 -11.086
  115   2HG   GLU  15           HG1      GLU  15  80.037  -1.551  -9.976
  116    H    GLN  16           HN       GLN  16  78.975  -0.153  -9.060
  117    HA   GLN  16           HA       GLN  16  76.085  -0.735  -8.922
  118   1HB   GLN  16           HB2      GLN  16  78.023  -0.220  -6.653
  119   2HB   GLN  16           HB1      GLN  16  76.567  -1.212  -6.630
  120   1HG   GLN  16           HG2      GLN  16  78.920  -1.858  -8.410
  121   2HG   GLN  16           HG1      GLN  16  78.792  -2.466  -6.763
  122   1HE2  GLN  16          HE22      GLN  16  77.223  -5.096  -8.791
  123   2HE2  GLN  16          HE21      GLN  16  78.783  -4.510  -8.466
  124    H    LYS  17           HN       LYS  17  78.157   1.567  -7.163
  125    HA   LYS  17           HA       LYS  17  76.240   3.344  -6.221
  126   1HB   LYS  17           HB2      LYS  17  79.058   3.649  -7.246
  127   2HB   LYS  17           HB1      LYS  17  78.184   5.048  -6.620
  128   1HG   LYS  17           HG2      LYS  17  78.489   4.377  -4.491
  129   2HG   LYS  17           HG1      LYS  17  77.879   2.762  -4.856
  130   1HD   LYS  17           HD2      LYS  17  79.964   1.915  -4.878
  131   2HD   LYS  17           HD1      LYS  17  80.493   3.134  -6.039
  132   1HE   LYS  17           HE2      LYS  17  80.145   4.416  -3.493
  133   2HE   LYS  17           HE1      LYS  17  81.167   2.980  -3.275
  134   1HZ   LYS  17           HZ3      LYS  17  81.560   4.771  -5.587
  135   2HZ   LYS  17           HZ2      LYS  17  82.272   5.139  -4.089
  136   3HZ   LYS  17           HZ1      LYS  17  82.658   3.687  -4.884
  137    H    ASN  18           HN       ASN  18  77.352   2.964  -9.529
  138    HA   ASN  18           HA       ASN  18  76.425   5.476 -10.577
  139   1HB   ASN  18           HB2      ASN  18  77.349   2.831 -11.521
  140   2HB   ASN  18           HB1      ASN  18  76.298   3.688 -12.649
  141   1HD2  ASN  18          HD22      ASN  18  80.086   4.786 -12.543
  142   2HD2  ASN  18          HD21      ASN  18  79.485   3.261 -12.099
  143    H    GLU  19           HN       GLU  19  74.912   2.220 -10.574
  144    HA   GLU  19           HA       GLU  19  72.382   3.273 -11.618
  145   1HB   GLU  19           HB2      GLU  19  73.363   0.607 -10.566
  146   2HB   GLU  19           HB1      GLU  19  71.718   0.849 -11.157
  147   1HG   GLU  19           HG2      GLU  19  73.582   1.963 -13.048
  148   2HG   GLU  19           HG1      GLU  19  74.033   0.294 -12.694
  149    H    PHE  20           HN       PHE  20  73.726   2.426  -8.466
  150    HA   PHE  20           HA       PHE  20  71.280   2.301  -6.975
  151   1HB   PHE  20           HB2      PHE  20  74.164   2.962  -6.347
  152   2HB   PHE  20           HB1      PHE  20  72.935   2.906  -5.088
  153    HD1  PHE  20           HD1      PHE  20  71.889   0.645  -7.540
  154    HD2  PHE  20           HD2      PHE  20  74.840   1.072  -4.445
  155    HE1  PHE  20           HE1      PHE  20  72.123  -1.820  -7.421
  156    HE2  PHE  20           HE2      PHE  20  75.072  -1.393  -4.329
  157    HZ   PHE  20           HZ       PHE  20  73.715  -2.839  -5.817
  158    H    LYS  21           HN       LYS  21  73.333   5.010  -7.976
  159    HA   LYS  21           HA       LYS  21  71.994   6.989  -6.316
  160   1HB   LYS  21           HB2      LYS  21  74.285   7.271  -7.086
  161   2HB   LYS  21           HB1      LYS  21  73.775   7.135  -8.769
  162   1HG   LYS  21           HG2      LYS  21  73.552   9.379  -8.775
  163   2HG   LYS  21           HG1      LYS  21  72.159   9.160  -7.715
  164   1HD   LYS  21           HD2      LYS  21  73.287   9.881  -5.881
  165   2HD   LYS  21           HD1      LYS  21  74.759   9.020  -6.334
  166   1HE   LYS  21           HE2      LYS  21  75.654  10.979  -7.032
  167   2HE   LYS  21           HE1      LYS  21  74.364  11.113  -8.244
  168   1HZ   LYS  21           HZ1      LYS  21  72.992  11.724  -6.085
  169   2HZ   LYS  21           HZ3      LYS  21  74.513  12.261  -5.560
  170   3HZ   LYS  21           HZ2      LYS  21  73.829  12.904  -6.976
  171    H    ALA  22           HN       ALA  22  71.654   5.860  -9.670
  172    HA   ALA  22           HA       ALA  22  69.783   7.889 -10.509
  173   1HB   ALA  22           HB1      ALA  22  70.989   5.397 -11.462
  174   2HB   ALA  22           HB3      ALA  22  69.327   5.596 -12.019
  175   3HB   ALA  22           HB2      ALA  22  70.531   6.835 -12.374
  176    H    ALA  23           HN       ALA  23  69.128   4.406  -9.942
  177    HA   ALA  23           HA       ALA  23  66.333   4.525  -9.835
  178   1HB   ALA  23           HB1      ALA  23  68.408   2.703  -9.318
  179   2HB   ALA  23           HB3      ALA  23  67.455   2.733  -7.834
  180   3HB   ALA  23           HB2      ALA  23  66.683   2.337  -9.369
  181    H    PHE  24           HN       PHE  24  68.671   5.160  -7.224
  182    HA   PHE  24           HA       PHE  24  67.016   5.356  -4.990
  183   1HB   PHE  24           HB2      PHE  24  69.344   5.661  -4.724
  184   2HB   PHE  24           HB1      PHE  24  69.414   6.896  -5.980
  185    HD1  PHE  24           HD2      PHE  24  68.669   9.193  -5.541
  186    HD2  PHE  24           HD1      PHE  24  68.595   6.194  -2.467
  187    HE1  PHE  24           HE2      PHE  24  68.375  10.959  -3.826
  188    HE2  PHE  24           HE1      PHE  24  68.301   7.960  -0.751
  189    HZ   PHE  24           HZ       PHE  24  68.191  10.343  -1.431
  190    H    ASP  25           HN       ASP  25  67.715   8.000  -7.314
  191    HA   ASP  25           HA       ASP  25  65.855   9.865  -6.145
  192   1HB   ASP  25           HB2      ASP  25  67.568   9.573  -8.539
  193   2HB   ASP  25           HB1      ASP  25  66.175  10.632  -8.757
  194    H    ILE  26           HN       ILE  26  65.337   7.039  -7.978
  195    HA   ILE  26           HA       ILE  26  62.867   7.988  -9.287
  196    HB   ILE  26           HB       ILE  26  64.234   5.290  -9.093
  197   1HG1  ILE  26          HG12      ILE  26  64.382   7.611 -11.017
  198   2HG1  ILE  26          HG11      ILE  26  65.705   6.732 -10.255
  199   1HG2  ILE  26          HG23      ILE  26  62.012   6.294 -10.896
  200   2HG2  ILE  26          HG22      ILE  26  62.812   4.730 -11.045
  201   3HG2  ILE  26          HG21      ILE  26  61.842   5.093  -9.618
  202   1HD1  ILE  26          HD11      ILE  26  65.083   4.714 -11.577
  203   2HD1  ILE  26          HD13      ILE  26  63.837   5.663 -12.385
  204   3HD1  ILE  26          HD12      ILE  26  65.537   6.076 -12.601
  205    H    PHE  27           HN       PHE  27  63.829   6.406  -6.339
  206    HA   PHE  27           HA       PHE  27  61.134   5.284  -5.847
  207   1HB   PHE  27           HB2      PHE  27  63.611   5.382  -4.097
  208   2HB   PHE  27           HB1      PHE  27  62.234   4.294  -3.921
  209    HD1  PHE  27           HD1      PHE  27  61.734   3.587  -6.777
  210    HD2  PHE  27           HD2      PHE  27  65.404   3.906  -4.571
  211    HE1  PHE  27           HE1      PHE  27  62.805   1.976  -8.328
  212    HE2  PHE  27           HE2      PHE  27  66.476   2.293  -6.122
  213    HZ   PHE  27           HZ       PHE  27  65.175   1.328  -8.001
  214    H    VAL  28           HN       VAL  28  62.643   8.275  -5.470
  215    HA   VAL  28           HA       VAL  28  61.168   8.956  -2.975
  216    HB   VAL  28           HB       VAL  28  62.633  10.976  -3.128
  217   1HG1  VAL  28          HG13      VAL  28  63.293   8.484  -2.308
  218   2HG1  VAL  28          HG12      VAL  28  64.522   8.726  -3.551
  219   3HG1  VAL  28          HG11      VAL  28  64.400   9.853  -2.199
  220   1HG2  VAL  28          HG21      VAL  28  62.718  10.791  -5.698
  221   2HG2  VAL  28          HG23      VAL  28  64.214  11.236  -4.877
  222   3HG2  VAL  28          HG22      VAL  28  63.977   9.582  -5.442
  223    H    LEU  29           HN       LEU  29  60.380   8.822  -6.125
  224    HA   LEU  29           HA       LEU  29  59.547  11.379  -6.962
  225   1HB   LEU  29           HB2      LEU  29  58.792   8.543  -7.415
  226   2HB   LEU  29           HB1      LEU  29  57.601   9.743  -7.919
  227    HG   LEU  29           HG       LEU  29  59.149   9.251  -9.765
  228   1HD1  LEU  29          HD12      LEU  29  58.552  11.801  -8.691
  229   2HD1  LEU  29          HD11      LEU  29  60.231  11.872  -9.225
  230   3HD1  LEU  29          HD13      LEU  29  58.963  11.415 -10.362
  231   1HD2  LEU  29          HD23      LEU  29  61.053   8.677  -8.130
  232   2HD2  LEU  29          HD22      LEU  29  61.504   9.568  -9.585
  233   3HD2  LEU  29          HD21      LEU  29  61.349  10.413  -8.045
  234    H    GLY  30           HN       GLY  30  58.108   9.223  -4.569
  235   1HA   GLY  30           HA2      GLY  30  55.763  11.033  -4.308
  236   2HA   GLY  30           HA1      GLY  30  55.910   9.439  -3.568
  237    H    ALA  31           HN       ALA  31  58.811  11.079  -3.206
  238    HA   ALA  31           HA       ALA  31  58.333  11.469  -0.336
  239   1HB   ALA  31           HB2      ALA  31  60.480  10.915  -2.075
  240   2HB   ALA  31           HB1      ALA  31  60.837  12.496  -1.381
  241   3HB   ALA  31           HB3      ALA  31  60.566  11.111  -0.324
  242    H    GLU  32           HN       GLU  32  59.394  13.647   0.546
  243    HA   GLU  32           HA       GLU  32  57.959  15.873  -0.817
  244   1HB   GLU  32           HB2      GLU  32  59.309  15.831   1.893
  245   2HB   GLU  32           HB1      GLU  32  58.015  16.900   1.347
  246   1HG   GLU  32           HG2      GLU  32  57.081  14.248   0.980
  247   2HG   GLU  32           HG1      GLU  32  57.799  14.312   2.590
  248    H    ASP  33           HN       ASP  33  61.165  15.112   0.577
  249    HA   ASP  33           HA       ASP  33  62.293  17.444  -0.927
  250   1HB   ASP  33           HB2      ASP  33  64.194  17.061   0.750
  251   2HB   ASP  33           HB1      ASP  33  62.660  17.594   1.437
  252    H    GLY  34           HN       GLY  34  62.474  13.962  -0.473
  253   1HA   GLY  34           HA2      GLY  34  63.355  13.037  -2.805
  254   2HA   GLY  34           HA1      GLY  34  64.850  13.786  -2.242
  255    H    CYS  35           HN       CYS  35  62.410  12.046  -0.322
  256    HA   CYS  35           HA       CYS  35  64.585  10.174   0.538
  257   1HB   CYS  35           HB2      CYS  35  62.157  11.409   1.795
  258   2HB   CYS  35           HB1      CYS  35  62.731   9.860   2.413
  259    HG   CYS  35           HG       CYS  35  63.981  11.807   3.689
  260    H    ILE  36           HN       ILE  36  63.687   7.923   1.123
  261    HA   ILE  36           HA       ILE  36  61.702   7.087  -0.966
  262    HB   ILE  36           HB       ILE  36  63.536   5.121   0.325
  263   1HG1  ILE  36          HG12      ILE  36  64.554   7.110  -1.732
  264   2HG1  ILE  36          HG11      ILE  36  64.978   7.156  -0.021
  265   1HG2  ILE  36          HG22      ILE  36  62.567   5.707  -2.483
  266   2HG2  ILE  36          HG21      ILE  36  63.721   4.428  -2.106
  267   3HG2  ILE  36          HG23      ILE  36  62.089   4.367  -1.441
  268   1HD1  ILE  36          HD11      ILE  36  65.367   4.483  -0.976
  269   2HD1  ILE  36          HD13      ILE  36  66.182   5.594  -2.078
  270   3HD1  ILE  36          HD12      ILE  36  66.574   5.610  -0.358
  271    H    SER  37           HN       SER  37  60.211   7.839   0.981
  272    HA   SER  37           HA       SER  37  59.904   6.596   3.426
  273   1HB   SER  37           HB2      SER  37  57.609   6.947   1.493
  274   2HB   SER  37           HB1      SER  37  57.612   7.205   3.235
  275    HG   SER  37           HG       SER  37  57.809   9.202   2.377
  276    H    THR  38           HN       THR  38  58.714   4.687   4.137
  277    HA   THR  38           HA       THR  38  59.334   2.268   2.802
  278    HB   THR  38           HB       THR  38  58.672   2.726   5.229
  279    HG1  THR  38           HG1      THR  38  57.295   0.677   5.161
  280   1HG2  THR  38          HG22      THR  38  56.516   3.909   4.332
  281   2HG2  THR  38          HG21      THR  38  55.856   2.274   4.291
  282   3HG2  THR  38          HG23      THR  38  56.424   2.957   5.815
  283    H    LYS  39           HN       LYS  39  56.764   4.529   2.239
  284    HA   LYS  39           HA       LYS  39  54.831   2.754   1.052
  285   1HB   LYS  39           HB2      LYS  39  54.747   5.244   1.892
  286   2HB   LYS  39           HB1      LYS  39  55.255   5.623   0.246
  287   1HG   LYS  39           HG2      LYS  39  53.315   4.582  -0.692
  288   2HG   LYS  39           HG1      LYS  39  52.883   3.846   0.852
  289   1HD   LYS  39           HD2      LYS  39  53.129   6.673   1.240
  290   2HD   LYS  39           HD1      LYS  39  52.088   6.392  -0.157
  291   1HE   LYS  39           HE2      LYS  39  50.987   4.565   1.422
  292   2HE   LYS  39           HE1      LYS  39  51.670   5.585   2.703
  293   1HZ   LYS  39           HZ2      LYS  39  50.337   6.902   0.453
  294   2HZ   LYS  39           HZ1      LYS  39  49.354   6.150   1.616
  295   3HZ   LYS  39           HZ3      LYS  39  50.428   7.376   2.082
  296    H    GLU  40           HN       GLU  40  57.576   4.602  -0.266
  297    HA   GLU  40           HA       GLU  40  57.042   3.482  -2.977
  298   1HB   GLU  40           HB2      GLU  40  57.658   5.971  -2.169
  299   2HB   GLU  40           HB1      GLU  40  59.294   5.344  -2.374
  300   1HG   GLU  40           HG2      GLU  40  59.032   5.876  -4.563
  301   2HG   GLU  40           HG1      GLU  40  58.026   4.429  -4.646
  302    H    LEU  41           HN       LEU  41  58.009   1.702  -0.882
  303    HA   LEU  41           HA       LEU  41  60.786   1.147  -1.878
  304   1HB   LEU  41           HB2      LEU  41  60.294   1.847   0.578
  305   2HB   LEU  41           HB1      LEU  41  59.603   0.234   0.748
  306    HG   LEU  41           HG       LEU  41  62.034   0.391   1.406
  307   1HD1  LEU  41          HD11      LEU  41  60.817  -1.694   0.510
  308   2HD1  LEU  41          HD13      LEU  41  61.656  -1.383  -1.009
  309   3HD1  LEU  41          HD12      LEU  41  62.579  -1.714   0.457
  310   1HD2  LEU  41          HD21      LEU  41  62.328   1.949  -0.780
  311   2HD2  LEU  41          HD23      LEU  41  63.662   1.027  -0.088
  312   3HD2  LEU  41          HD22      LEU  41  62.780   0.393  -1.477
  313    H    GLY  42           HN       GLY  42  57.768  -0.362  -0.691
  314   1HA   GLY  42           HA2      GLY  42  58.389  -3.054  -1.248
  315   2HA   GLY  42           HA1      GLY  42  56.755  -2.389  -1.308
  316    H    LYS  43           HN       LYS  43  56.387  -0.980  -3.384
  317    HA   LYS  43           HA       LYS  43  56.521  -2.625  -5.676
  318   1HB   LYS  43           HB2      LYS  43  56.267   0.362  -5.244
  319   2HB   LYS  43           HB1      LYS  43  56.090  -0.374  -6.837
  320   1HG   LYS  43           HG2      LYS  43  54.351  -1.920  -5.774
  321   2HG   LYS  43           HG1      LYS  43  54.393  -0.842  -4.379
  322   1HD   LYS  43           HD2      LYS  43  52.854   0.407  -5.461
  323   2HD   LYS  43           HD1      LYS  43  54.158   0.893  -6.544
  324   1HE   LYS  43           HE2      LYS  43  52.808  -1.724  -7.092
  325   2HE   LYS  43           HE1      LYS  43  51.943  -0.232  -7.515
  326   1HZ   LYS  43           HZ3      LYS  43  54.174   0.503  -8.483
  327   2HZ   LYS  43           HZ2      LYS  43  54.605  -1.140  -8.430
  328   3HZ   LYS  43           HZ1      LYS  43  53.278  -0.636  -9.365
  329    H    VAL  44           HN       VAL  44  58.882  -0.386  -4.351
  330    HA   VAL  44           HA       VAL  44  60.533  -0.187  -6.733
  331    HB   VAL  44           HB       VAL  44  60.897   0.345  -3.775
  332   1HG1  VAL  44          HG12      VAL  44  62.859   0.503  -6.044
  333   2HG1  VAL  44          HG11      VAL  44  62.938   1.701  -4.752
  334   3HG1  VAL  44          HG13      VAL  44  63.121  -0.012  -4.378
  335   1HG2  VAL  44          HG23      VAL  44  60.255   1.951  -6.230
  336   2HG2  VAL  44          HG22      VAL  44  59.500   2.002  -4.638
  337   3HG2  VAL  44          HG21      VAL  44  61.086   2.731  -4.884
  338    H    MET  45           HN       MET  45  60.934  -1.969  -3.641
  339    HA   MET  45           HA       MET  45  63.275  -3.367  -4.104
  340   1HB   MET  45           HB2      MET  45  60.668  -3.949  -2.762
  341   2HB   MET  45           HB1      MET  45  61.822  -5.275  -2.912
  342   1HG   MET  45           HG2      MET  45  62.916  -2.670  -1.983
  343   2HG   MET  45           HG1      MET  45  61.875  -3.533  -0.852
  344   1HE   MET  45           HE3      MET  45  64.849  -2.820  -2.332
  345   2HE   MET  45           HE2      MET  45  65.674  -3.251  -0.836
  346   3HE   MET  45           HE1      MET  45  65.983  -4.177  -2.303
  347    H    ARG  46           HN       ARG  46  60.090  -4.020  -5.533
  348    HA   ARG  46           HA       ARG  46  60.674  -6.543  -6.738
  349   1HB   ARG  46           HB2      ARG  46  58.787  -4.252  -7.191
  350   2HB   ARG  46           HB1      ARG  46  58.862  -5.539  -8.396
  351   1HG   ARG  46           HG2      ARG  46  58.786  -6.924  -5.992
  352   2HG   ARG  46           HG1      ARG  46  57.687  -5.572  -5.716
  353   1HD   ARG  46           HD2      ARG  46  56.974  -6.347  -8.260
  354   2HD   ARG  46           HD1      ARG  46  57.363  -7.899  -7.494
  355    HE   ARG  46           HE       ARG  46  55.695  -7.432  -5.789
  356   1HH1  ARG  46          HH21      ARG  46  55.595  -4.649  -5.301
  357   2HH1  ARG  46          HH22      ARG  46  54.259  -4.066  -6.237
  358   1HH2  ARG  46          HH11      ARG  46  54.133  -6.861  -8.287
  359   2HH2  ARG  46          HH12      ARG  46  53.433  -5.317  -7.929
  360    H    MET  47           HN       MET  47  61.348  -3.221  -7.744
  361    HA   MET  47           HA       MET  47  62.229  -3.936 -10.429
  362   1HB   MET  47           HB2      MET  47  62.297  -1.520  -8.627
  363   2HB   MET  47           HB1      MET  47  63.159  -1.505 -10.167
  364   1HG   MET  47           HG2      MET  47  60.594  -2.591 -10.688
  365   2HG   MET  47           HG1      MET  47  60.341  -1.162  -9.685
  366   1HE   MET  47           HE1      MET  47  62.381   0.437  -9.881
  367   2HE   MET  47           HE3      MET  47  63.463   0.424 -11.281
  368   3HE   MET  47           HE2      MET  47  62.143   1.587 -11.195
  369    H    LEU  48           HN       LEU  48  63.893  -3.031  -7.388
  370    HA   LEU  48           HA       LEU  48  66.565  -3.173  -8.320
  371   1HB   LEU  48           HB2      LEU  48  65.302  -3.843  -5.641
  372   2HB   LEU  48           HB1      LEU  48  67.033  -3.608  -5.886
  373    HG   LEU  48           HG       LEU  48  64.964  -1.526  -6.630
  374   1HD1  LEU  48          HD13      LEU  48  66.005  -2.298  -4.021
  375   2HD1  LEU  48          HD12      LEU  48  66.421  -0.630  -4.415
  376   3HD1  LEU  48          HD11      LEU  48  64.733  -1.141  -4.417
  377   1HD2  LEU  48          HD22      LEU  48  67.653  -1.814  -7.298
  378   2HD2  LEU  48          HD21      LEU  48  66.728  -0.314  -7.371
  379   3HD2  LEU  48          HD23      LEU  48  67.681  -0.693  -5.937
  380    H    GLY  49           HN       GLY  49  64.264  -5.712  -7.638
  381   1HA   GLY  49           HA2      GLY  49  64.785  -7.894  -8.776
  382   2HA   GLY  49           HA1      GLY  49  66.420  -7.728  -8.134
  383    H    GLN  50           HN       GLN  50  63.888  -6.690  -6.044
  384    HA   GLN  50           HA       GLN  50  64.218  -9.208  -4.444
  385   1HB   GLN  50           HB2      GLN  50  64.111  -6.283  -3.822
  386   2HB   GLN  50           HB1      GLN  50  63.488  -7.408  -2.615
  387   1HG   GLN  50           HG2      GLN  50  65.653  -7.558  -1.945
  388   2HG   GLN  50           HG1      GLN  50  65.835  -8.627  -3.336
  389   1HE2  GLN  50          HE22      GLN  50  68.440  -6.015  -3.711
  390   2HE2  GLN  50          HE21      GLN  50  68.123  -7.289  -2.636
  391    H    ASN  51           HN       ASN  51  62.254  -9.417  -2.850
  392    HA   ASN  51           HA       ASN  51  59.688  -8.475  -4.003
  393   1HB   ASN  51           HB2      ASN  51  60.897 -11.075  -4.443
  394   2HB   ASN  51           HB1      ASN  51  59.358 -11.247  -3.598
  395   1HD2  ASN  51          HD22      ASN  51  58.872 -10.987  -7.376
  396   2HD2  ASN  51          HD21      ASN  51  59.936 -11.931  -6.449
  397    HA   PRO  52           HA       PRO  52  59.987  -9.119   0.638
  398   1HB   PRO  52           HB2      PRO  52  59.693  -6.494   1.354
  399   2HB   PRO  52           HB1      PRO  52  61.273  -7.241   1.044
  400   1HG   PRO  52           HG2      PRO  52  59.629  -5.492  -0.714
  401   2HG   PRO  52           HG1      PRO  52  61.385  -5.541  -0.492
  402   1HD   PRO  52           HD2      PRO  52  60.097  -6.655  -2.627
  403   2HD   PRO  52           HD1      PRO  52  61.659  -7.232  -2.006
  404    H    THR  53           HN       THR  53  58.189  -8.621   2.197
  405    HA   THR  53           HA       THR  53  55.589  -8.490   0.766
  406    HB   THR  53           HB       THR  53  55.086  -8.970   3.426
  407    HG1  THR  53           HG1      THR  53  57.406 -10.440   2.960
  408   1HG2  THR  53          HG21      THR  53  55.426 -10.531   0.975
  409   2HG2  THR  53          HG23      THR  53  55.717 -11.476   2.435
  410   3HG2  THR  53          HG22      THR  53  54.177 -10.646   2.215
  411    HA   PRO  54           HA       PRO  54  54.475  -4.532   2.291
  412   1HB   PRO  54           HB2      PRO  54  51.952  -4.878   3.290
  413   2HB   PRO  54           HB1      PRO  54  52.315  -4.911   1.553
  414   1HG   PRO  54           HG2      PRO  54  51.850  -7.167   3.433
  415   2HG   PRO  54           HG1      PRO  54  51.358  -6.987   1.741
  416   1HD   PRO  54           HD2      PRO  54  53.492  -8.494   2.558
  417   2HD   PRO  54           HD1      PRO  54  53.356  -7.759   0.945
  418    H    GLU  55           HN       GLU  55  54.157  -7.188   4.579
  419    HA   GLU  55           HA       GLU  55  53.974  -5.434   6.928
  420   1HB   GLU  55           HB2      GLU  55  54.405  -8.414   6.546
  421   2HB   GLU  55           HB1      GLU  55  54.076  -7.639   8.097
  422   1HG   GLU  55           HG2      GLU  55  52.191  -6.960   5.917
  423   2HG   GLU  55           HG1      GLU  55  52.130  -8.632   6.475
  424    H    GLU  56           HN       GLU  56  56.491  -7.091   5.120
  425    HA   GLU  56           HA       GLU  56  58.513  -6.860   7.226
  426   1HB   GLU  56           HB2      GLU  56  58.298  -7.769   4.385
  427   2HB   GLU  56           HB1      GLU  56  59.906  -7.402   5.010
  428   1HG   GLU  56           HG2      GLU  56  58.161  -9.045   6.766
  429   2HG   GLU  56           HG1      GLU  56  58.744  -9.826   5.295
  430    H    LEU  57           HN       LEU  57  57.425  -4.934   4.491
  431    HA   LEU  57           HA       LEU  57  59.538  -3.281   3.854
  432   1HB   LEU  57           HB2      LEU  57  56.596  -2.905   4.258
  433   2HB   LEU  57           HB1      LEU  57  57.577  -1.474   3.936
  434    HG   LEU  57           HG       LEU  57  57.817  -3.943   2.221
  435   1HD1  LEU  57          HD11      LEU  57  55.509  -2.264   2.470
  436   2HD1  LEU  57          HD13      LEU  57  56.269  -1.938   0.911
  437   3HD1  LEU  57          HD12      LEU  57  55.785  -3.581   1.330
  438   1HD2  LEU  57          HD22      LEU  57  59.282  -1.625   2.361
  439   2HD2  LEU  57          HD21      LEU  57  59.140  -2.626   0.915
  440   3HD2  LEU  57          HD23      LEU  57  58.098  -1.218   1.118
  441    H    GLN  58           HN       GLN  58  57.204  -1.995   6.214
  442    HA   GLN  58           HA       GLN  58  58.763  -0.069   7.426
  443   1HB   GLN  58           HB2      GLN  58  56.319  -1.000   7.816
  444   2HB   GLN  58           HB1      GLN  58  57.089  -1.891   9.130
  445   1HG   GLN  58           HG2      GLN  58  56.979   1.107   8.743
  446   2HG   GLN  58           HG1      GLN  58  56.333   0.166  10.088
  447   1HE2  GLN  58          HE22      GLN  58  60.315   1.096  10.000
  448   2HE2  GLN  58          HE21      GLN  58  59.345   1.383   8.638
  449    H    GLU  59           HN       GLU  59  58.573  -3.477   8.537
  450    HA   GLU  59           HA       GLU  59  60.449  -3.361  10.628
  451   1HB   GLU  59           HB2      GLU  59  58.914  -5.246   9.865
  452   2HB   GLU  59           HB1      GLU  59  60.125  -5.623   8.638
  453   1HG   GLU  59           HG2      GLU  59  60.589  -7.041  10.521
  454   2HG   GLU  59           HG1      GLU  59  61.824  -5.781  10.518
  455    H    MET  60           HN       MET  60  61.073  -4.089   7.171
  456    HA   MET  60           HA       MET  60  63.910  -4.391   7.424
  457   1HB   MET  60           HB2      MET  60  61.846  -4.167   5.367
  458   2HB   MET  60           HB1      MET  60  63.378  -3.455   4.858
  459   1HG   MET  60           HG2      MET  60  64.486  -5.601   5.717
  460   2HG   MET  60           HG1      MET  60  62.860  -6.284   5.787
  461   1HE   MET  60           HE3      MET  60  61.284  -5.274   3.982
  462   2HE   MET  60           HE2      MET  60  62.029  -4.183   2.817
  463   3HE   MET  60           HE1      MET  60  61.499  -5.782   2.301
  464    H    ILE  61           HN       ILE  61  61.943  -1.605   7.661
  465    HA   ILE  61           HA       ILE  61  64.265   0.180   7.018
  466    HB   ILE  61           HB       ILE  61  61.260   0.574   7.031
  467   1HG1  ILE  61          HG12      ILE  61  63.267   0.929   4.791
  468   2HG1  ILE  61          HG11      ILE  61  62.421  -0.592   5.084
  469   1HG2  ILE  61          HG21      ILE  61  63.497   2.518   7.137
  470   2HG2  ILE  61          HG23      ILE  61  62.251   2.849   5.934
  471   3HG2  ILE  61          HG22      ILE  61  61.817   2.706   7.637
  472   1HD1  ILE  61          HD13      ILE  61  60.252   0.584   4.864
  473   2HD1  ILE  61          HD12      ILE  61  61.112   2.087   4.525
  474   3HD1  ILE  61          HD11      ILE  61  61.222   0.735   3.398
  475    H    ASP  62           HN       ASP  62  62.631  -1.195   9.594
  476    HA   ASP  62           HA       ASP  62  62.966   1.185  11.367
  477   1HB   ASP  62           HB2      ASP  62  61.071  -0.923  11.072
  478   2HB   ASP  62           HB1      ASP  62  61.844  -1.132  12.644
  479    H    GLU  63           HN       GLU  63  64.839  -1.300  10.314
  480    HA   GLU  63           HA       GLU  63  66.120  -1.726  12.995
  481   1HB   GLU  63           HB2      GLU  63  65.392  -3.431  10.727
  482   2HB   GLU  63           HB1      GLU  63  67.067  -3.654  11.229
  483   1HG   GLU  63           HG2      GLU  63  64.637  -3.802  13.037
  484   2HG   GLU  63           HG1      GLU  63  65.601  -5.172  12.485
  485    H    VAL  64           HN       VAL  64  66.595  -0.667   9.684
  486    HA   VAL  64           HA       VAL  64  69.533  -0.391  10.148
  487    HB   VAL  64           HB       VAL  64  68.483  -1.543   8.111
  488   1HG1  VAL  64          HG12      VAL  64  67.061   0.904   8.027
  489   2HG1  VAL  64          HG11      VAL  64  68.142   0.915   6.634
  490   3HG1  VAL  64          HG13      VAL  64  66.999  -0.410   6.852
  491   1HG2  VAL  64          HG23      VAL  64  70.833  -0.401   8.343
  492   2HG2  VAL  64          HG22      VAL  64  70.256  -0.853   6.739
  493   3HG2  VAL  64          HG21      VAL  64  70.146   0.823   7.275
  494    H    ASP  65           HN       ASP  65  66.616   1.416  10.127
  495    HA   ASP  65           HA       ASP  65  67.349   3.947   9.140
  496   1HB   ASP  65           HB2      ASP  65  65.260   2.758  10.554
  497   2HB   ASP  65           HB1      ASP  65  65.832   4.024  11.641
  498    H    GLU  66           HN       GLU  66  69.160   5.099   9.692
  499    HA   GLU  66           HA       GLU  66  70.447   4.733  12.319
  500   1HB   GLU  66           HB2      GLU  66  71.545   4.949  10.000
  501   2HB   GLU  66           HB1      GLU  66  71.164   6.668  10.108
  502   1HG   GLU  66           HG2      GLU  66  72.626   7.022  11.885
  503   2HG   GLU  66           HG1      GLU  66  72.566   5.337  12.403
  504    H    ASP  67           HN       ASP  67  68.722   7.293  10.540
  505    HA   ASP  67           HA       ASP  67  69.008   9.177  12.803
  506   1HB   ASP  67           HB2      ASP  67  67.733  10.645  11.199
  507   2HB   ASP  67           HB1      ASP  67  69.221   9.986  10.519
  508    H    GLY  68           HN       GLY  68  66.792   6.780  11.700
  509   1HA   GLY  68           HA2      GLY  68  64.741   6.072  12.599
  510   2HA   GLY  68           HA1      GLY  68  65.038   7.163  13.952
  511    H    SER  69           HN       SER  69  64.923   8.188  10.577
  512    HA   SER  69           HA       SER  69  62.826  10.145  11.249
  513   1HB   SER  69           HB2      SER  69  63.383  11.030   9.064
  514   2HB   SER  69           HB1      SER  69  64.890  10.566   9.849
  515    HG   SER  69           HG       SER  69  64.417   9.844   7.567
  516    H    GLY  70           HN       GLY  70  62.990   6.968   9.932
  517   1HA   GLY  70           HA2      GLY  70  60.985   5.651   9.562
  518   2HA   GLY  70           HA1      GLY  70  60.111   7.142   9.207
  519    H    THR  71           HN       THR  71  62.232   8.180   7.453
  520    HA   THR  71           HA       THR  71  61.489   6.658   5.019
  521    HB   THR  71           HB       THR  71  62.383   8.683   3.910
  522    HG1  THR  71           HG1      THR  71  63.311  10.276   5.125
  523   1HG2  THR  71          HG21      THR  71  60.352   8.775   6.066
  524   2HG2  THR  71          HG23      THR  71  60.921  10.339   5.482
  525   3HG2  THR  71          HG22      THR  71  60.202   9.185   4.358
  526    H    VAL  72           HN       VAL  72  63.165   6.028   3.470
  527    HA   VAL  72           HA       VAL  72  65.682   5.185   4.813
  528    HB   VAL  72           HB       VAL  72  64.739   4.495   2.025
  529   1HG1  VAL  72          HG11      VAL  72  66.351   3.041   4.144
  530   2HG1  VAL  72          HG13      VAL  72  65.902   2.360   2.580
  531   3HG1  VAL  72          HG12      VAL  72  66.980   3.754   2.658
  532   1HG2  VAL  72          HG23      VAL  72  63.718   3.500   4.686
  533   2HG2  VAL  72          HG22      VAL  72  62.793   3.982   3.263
  534   3HG2  VAL  72          HG21      VAL  72  63.687   2.462   3.260
  535    H    ASP  73           HN       ASP  73  67.353   6.633   4.611
  536    HA   ASP  73           HA       ASP  73  67.446   8.502   2.322
  537   1HB   ASP  73           HB2      ASP  73  67.869   9.276   4.606
  538   2HB   ASP  73           HB1      ASP  73  69.162   8.091   4.792
  539    H    PHE  74           HN       PHE  74  69.554   8.742   1.129
  540    HA   PHE  74           HA       PHE  74  70.407   6.521  -0.279
  541   1HB   PHE  74           HB2      PHE  74  71.011   9.110  -0.302
  542   2HB   PHE  74           HB1      PHE  74  72.436   8.557   0.578
  543    HD1  PHE  74           HD2      PHE  74  73.571   6.362  -0.456
  544    HD2  PHE  74           HD1      PHE  74  71.116   9.138  -2.629
  545    HE1  PHE  74           HE2      PHE  74  74.590   5.597  -2.584
  546    HE2  PHE  74           HE1      PHE  74  72.135   8.374  -4.756
  547    HZ   PHE  74           HZ       PHE  74  73.871   6.604  -4.734
  548    H    ASP  75           HN       ASP  75  71.528   7.566   2.919
  549    HA   ASP  75           HA       ASP  75  73.703   5.668   3.127
  550   1HB   ASP  75           HB2      ASP  75  72.067   7.372   5.005
  551   2HB   ASP  75           HB1      ASP  75  73.288   6.263   5.633
  552    H    GLU  76           HN       GLU  76  70.599   5.720   4.928
  553    HA   GLU  76           HA       GLU  76  70.728   3.000   5.783
  554   1HB   GLU  76           HB2      GLU  76  68.322   4.774   5.237
  555   2HB   GLU  76           HB1      GLU  76  68.355   3.377   6.314
  556   1HG   GLU  76           HG2      GLU  76  69.542   4.483   7.945
  557   2HG   GLU  76           HG1      GLU  76  70.393   5.503   6.782
  558    H    PHE  77           HN       PHE  77  69.425   4.506   2.856
  559    HA   PHE  77           HA       PHE  77  67.977   2.289   1.806
  560   1HB   PHE  77           HB2      PHE  77  67.890   4.626   0.994
  561   2HB   PHE  77           HB1      PHE  77  69.553   4.490   0.424
  562    HD1  PHE  77           HD2      PHE  77  66.444   2.386   0.204
  563    HD2  PHE  77           HD1      PHE  77  69.737   4.203  -1.872
  564    HE1  PHE  77           HE2      PHE  77  65.634   1.417  -1.931
  565    HE2  PHE  77           HE1      PHE  77  68.927   3.234  -4.006
  566    HZ   PHE  77           HZ       PHE  77  66.876   1.839  -4.036
  567    H    LEU  78           HN       LEU  78  71.420   3.136   1.675
  568    HA   LEU  78           HA       LEU  78  72.150   1.042  -0.205
  569   1HB   LEU  78           HB2      LEU  78  73.442   3.074   1.544
  570   2HB   LEU  78           HB1      LEU  78  74.439   1.690   1.098
  571    HG   LEU  78           HG       LEU  78  72.961   3.510  -0.825
  572   1HD1  LEU  78          HD12      LEU  78  75.858   3.204  -0.026
  573   2HD1  LEU  78          HD11      LEU  78  75.394   3.923  -1.568
  574   3HD1  LEU  78          HD13      LEU  78  74.882   4.672  -0.056
  575   1HD2  LEU  78          HD21      LEU  78  74.104   0.825  -1.079
  576   2HD2  LEU  78          HD23      LEU  78  73.052   1.703  -2.188
  577   3HD2  LEU  78          HD22      LEU  78  74.794   1.967  -2.232
  578    H    VAL  79           HN       VAL  79  72.398   1.401   3.349
  579    HA   VAL  79           HA       VAL  79  73.603  -1.125   3.898
  580    HB   VAL  79           HB       VAL  79  71.658   0.558   5.513
  581   1HG1  VAL  79          HG13      VAL  79  73.677  -1.554   6.329
  582   2HG1  VAL  79          HG12      VAL  79  72.819  -0.502   7.457
  583   3HG1  VAL  79          HG11      VAL  79  71.923  -1.665   6.478
  584   1HG2  VAL  79          HG23      VAL  79  74.676   0.604   5.224
  585   2HG2  VAL  79          HG22      VAL  79  73.549   1.896   4.815
  586   3HG2  VAL  79          HG21      VAL  79  73.806   1.451   6.501
  587    H    MET  80           HN       MET  80  70.141  -0.214   4.220
  588    HA   MET  80           HA       MET  80  68.999  -2.660   4.816
  589   1HB   MET  80           HB2      MET  80  67.046  -1.781   3.464
  590   2HB   MET  80           HB1      MET  80  67.727  -0.606   4.589
  591   1HG   MET  80           HG2      MET  80  67.634   0.692   2.684
  592   2HG   MET  80           HG1      MET  80  69.245   0.001   2.493
  593   1HE   MET  80           HE2      MET  80  65.743  -0.834   2.392
  594   2HE   MET  80           HE1      MET  80  65.298  -0.866   0.687
  595   3HE   MET  80           HE3      MET  80  65.778  -2.358   1.509
  596    H    MET  81           HN       MET  81  70.327  -1.620   1.715
  597    HA   MET  81           HA       MET  81  69.323  -3.878   0.180
  598   1HB   MET  81           HB2      MET  81  70.763  -1.428  -0.179
  599   2HB   MET  81           HB1      MET  81  71.704  -2.725  -0.917
  600   1HG   MET  81           HG2      MET  81  69.779  -3.435  -2.231
  601   2HG   MET  81           HG1      MET  81  68.752  -2.249  -1.424
  602   1HE   MET  81           HE3      MET  81  68.046  -0.383  -2.503
  603   2HE   MET  81           HE2      MET  81  68.649   0.237  -4.038
  604   3HE   MET  81           HE1      MET  81  68.057  -1.419  -3.936
  605    H    VAL  82           HN       VAL  82  72.707  -3.031   0.987
  606    HA   VAL  82           HA       VAL  82  73.910  -5.502   0.486
  607    HB   VAL  82           HB       VAL  82  75.175  -3.514   1.010
  608   1HG1  VAL  82          HG13      VAL  82  73.727  -3.652   3.667
  609   2HG1  VAL  82          HG12      VAL  82  75.117  -2.606   3.369
  610   3HG1  VAL  82          HG11      VAL  82  73.626  -2.369   2.461
  611   1HG2  VAL  82          HG21      VAL  82  75.528  -5.976   2.480
  612   2HG2  VAL  82          HG23      VAL  82  76.758  -4.886   1.837
  613   3HG2  VAL  82          HG22      VAL  82  76.089  -4.610   3.446
  614    H    ARG  83           HN       ARG  83  72.021  -4.504   3.305
  615    HA   ARG  83           HA       ARG  83  72.660  -6.533   5.152
  616   1HB   ARG  83           HB2      ARG  83  70.422  -4.711   4.530
  617   2HB   ARG  83           HB1      ARG  83  69.955  -6.136   5.458
  618   1HG   ARG  83           HG2      ARG  83  71.923  -5.611   6.999
  619   2HG   ARG  83           HG1      ARG  83  72.025  -4.052   6.180
  620   1HD   ARG  83           HD2      ARG  83  69.756  -3.481   6.850
  621   2HD   ARG  83           HD1      ARG  83  69.513  -5.101   7.534
  622    HE   ARG  83           HE       ARG  83  71.634  -3.254   8.567
  623   1HH1  ARG  83          HH21      ARG  83  70.322  -6.258   9.054
  624   2HH1  ARG  83          HH22      ARG  83  69.917  -6.028  10.722
  625   1HH2  ARG  83          HH11      ARG  83  70.576  -2.623  10.686
  626   2HH2  ARG  83          HH12      ARG  83  70.060  -3.969  11.646
  627    H    CYS  84           HN       CYS  84  69.973  -6.592   2.769
  628    HA   CYS  84           HA       CYS  84  69.364  -9.386   3.217
  629   1HB   CYS  84           HB2      CYS  84  68.698  -7.312   1.119
  630   2HB   CYS  84           HB1      CYS  84  68.065  -8.956   1.031
  631    HG   CYS  84           HG       CYS  84  66.322  -7.616   2.401
  632    H    MET  85           HN       MET  85  71.386  -7.635   0.886
  633    HA   MET  85           HA       MET  85  71.877  -9.549  -1.076
  634   1HB   MET  85           HB2      MET  85  73.768  -7.655   0.351
  635   2HB   MET  85           HB1      MET  85  74.141  -8.453  -1.178
  636   1HG   MET  85           HG2      MET  85  71.647  -7.385  -1.667
  637   2HG   MET  85           HG1      MET  85  72.392  -6.153  -0.650
  638   1HE   MET  85           HE2      MET  85  72.563  -4.406  -1.902
  639   2HE   MET  85           HE1      MET  85  74.304  -4.411  -1.634
  640   3HE   MET  85           HE3      MET  85  73.654  -4.085  -3.248
  641    H    LYS  86           HN       LYS  86  73.785  -9.206   1.951
  642    HA   LYS  86           HA       LYS  86  75.518 -11.342   1.779
  643   1HB   LYS  86           HB2      LYS  86  73.959 -10.024   3.950
  644   2HB   LYS  86           HB1      LYS  86  74.762 -11.540   4.363
  645   1HG   LYS  86           HG2      LYS  86  76.189  -9.260   2.977
  646   2HG   LYS  86           HG1      LYS  86  76.149  -9.436   4.731
  647   1HD   LYS  86           HD2      LYS  86  77.190 -11.643   4.567
  648   2HD   LYS  86           HD1      LYS  86  77.164 -11.546   2.806
  649   1HE   LYS  86           HE2      LYS  86  78.866  -9.946   2.732
  650   2HE   LYS  86           HE1      LYS  86  78.526  -9.366   4.374
  651   1HZ   LYS  86           HZ2      LYS  86  79.169 -12.171   4.242
  652   2HZ   LYS  86           HZ1      LYS  86  80.445 -11.170   3.737
  653   3HZ   LYS  86           HZ3      LYS  86  79.773 -10.969   5.280
  654    H    ASP  87           HN       ASP  87  74.944 -13.314   0.883
  655    HA   ASP  87           HA       ASP  87  73.462 -15.249   2.334
  656   1HB   ASP  87           HB2      ASP  87  71.873 -13.265   1.082
  657   2HB   ASP  87           HB1      ASP  87  71.668 -14.734   0.128
  658    H    ASP  88           HN       ASP  88  73.377 -17.283   1.182
  659    HA   ASP  88           HA       ASP  88  75.418 -17.754  -0.731
  660   1HB   ASP  88           HB2      ASP  88  74.239 -19.375   0.813
  661   2HB   ASP  88           HB1      ASP  88  72.867 -19.337  -0.297
  662    H    SER  89           HN       SER  89  71.881 -17.447  -1.230
  663    HA   SER  89           HA       SER  89  70.660 -17.148  -3.241
  664   1HB   SER  89           HB2      SER  89  71.145 -15.007  -3.807
  665   2HB   SER  89           HB1      SER  89  72.524 -15.125  -2.718
  666    HG   SER  89           HG       SER  89  72.431 -15.078  -5.447
   
  No H/Q in entry =         666
  Start of MODEL   23
    1   1H    MET   1           HT2      MET   1  78.189  -1.084  16.824
    2   2H    MET   1           HT1      MET   1  77.545  -2.486  17.533
    3   3H    MET   1           HT3      MET   1  78.683  -2.617  16.283
    4    HA   MET   1           HA       MET   1  76.489  -3.074  15.403
    5   1HB   MET   1           HB2      MET   1  74.712  -1.499  15.767
    6   2HB   MET   1           HB1      MET   1  75.499  -1.718  17.330
    7   1HG   MET   1           HG2      MET   1  75.722   0.530  17.386
    8   2HG   MET   1           HG1      MET   1  76.961   0.332  16.145
    9   1HE   MET   1           HE2      MET   1  73.704   1.046  17.295
   10   2HE   MET   1           HE1      MET   1  73.014   2.208  16.164
   11   3HE   MET   1           HE3      MET   1  72.675   0.481  15.981
   12    H    ASP   2           HN       ASP   2  79.132  -1.447  14.872
   13    HA   ASP   2           HA       ASP   2  78.285  -0.524  12.178
   14   1HB   ASP   2           HB2      ASP   2  79.320   1.672  12.552
   15   2HB   ASP   2           HB1      ASP   2  78.073   1.386  13.768
   16    H    ASP   3           HN       ASP   3  80.752   0.729  11.544
   17    HA   ASP   3           HA       ASP   3  82.988   0.231  10.942
   18   1HB   ASP   3           HB2      ASP   3  82.548  -0.707  13.564
   19   2HB   ASP   3           HB1      ASP   3  83.366  -2.026  12.725
   20    H    ILE   4           HN       ILE   4  81.509  -2.901  11.888
   21    HA   ILE   4           HA       ILE   4  82.682  -4.420   9.779
   22    HB   ILE   4           HB       ILE   4  80.058  -4.819  11.254
   23   1HG1  ILE   4          HG12      ILE   4  82.920  -5.524  11.970
   24   2HG1  ILE   4          HG11      ILE   4  81.832  -4.460  12.862
   25   1HG2  ILE   4          HG22      ILE   4  80.684  -6.268   9.190
   26   2HG2  ILE   4          HG21      ILE   4  81.927  -6.958  10.236
   27   3HG2  ILE   4          HG23      ILE   4  80.224  -7.101  10.675
   28   1HD1  ILE   4          HD12      ILE   4  80.343  -6.757  12.711
   29   2HD1  ILE   4          HD11      ILE   4  81.979  -7.406  12.841
   30   3HD1  ILE   4          HD13      ILE   4  81.359  -6.319  14.084
   31    H    TYR   5           HN       TYR   5  79.191  -3.663  10.007
   32    HA   TYR   5           HA       TYR   5  78.604  -4.123   7.272
   33   1HB   TYR   5           HB2      TYR   5  77.388  -2.625   9.565
   34   2HB   TYR   5           HB1      TYR   5  76.678  -2.425   7.963
   35    HD1  TYR   5           HD2      TYR   5  75.766  -4.381   6.735
   36    HD2  TYR   5           HD1      TYR   5  77.220  -4.714  10.764
   37    HE1  TYR   5           HE2      TYR   5  74.618  -6.567   6.969
   38    HE2  TYR   5           HE1      TYR   5  76.071  -6.900  10.998
   39    HH   TYR   5           HH       TYR   5  74.260  -8.138  10.013
   40    H    LYS   6           HN       LYS   6  79.801  -1.226   8.918
   41    HA   LYS   6           HA       LYS   6  79.326   0.747   6.959
   42   1HB   LYS   6           HB2      LYS   6  80.906   0.325   9.309
   43   2HB   LYS   6           HB1      LYS   6  81.937   1.072   8.087
   44   1HG   LYS   6           HG2      LYS   6  80.395   2.904   7.799
   45   2HG   LYS   6           HG1      LYS   6  79.184   2.112   8.810
   46   1HD   LYS   6           HD2      LYS   6  80.238   2.689  10.758
   47   2HD   LYS   6           HD1      LYS   6  81.847   2.518  10.056
   48   1HE   LYS   6           HE2      LYS   6  81.603   4.663   8.886
   49   2HE   LYS   6           HE1      LYS   6  79.951   4.832   9.513
   50   1HZ   LYS   6           HZ2      LYS   6  82.255   4.353  11.305
   51   2HZ   LYS   6           HZ1      LYS   6  81.802   5.926  10.851
   52   3HZ   LYS   6           HZ3      LYS   6  80.712   4.945  11.704
   53    H    ALA   7           HN       ALA   7  81.726  -1.838   7.040
   54    HA   ALA   7           HA       ALA   7  83.268  -0.806   4.776
   55   1HB   ALA   7           HB1      ALA   7  83.177  -3.282   6.486
   56   2HB   ALA   7           HB3      ALA   7  84.151  -3.272   5.016
   57   3HB   ALA   7           HB2      ALA   7  84.484  -2.112   6.302
   58    H    ALA   8           HN       ALA   8  80.563  -3.004   5.262
   59    HA   ALA   8           HA       ALA   8  80.666  -4.326   2.702
   60   1HB   ALA   8           HB1      ALA   8  79.406  -4.880   4.900
   61   2HB   ALA   8           HB3      ALA   8  78.186  -3.744   4.326
   62   3HB   ALA   8           HB2      ALA   8  78.562  -5.186   3.382
   63    H    VAL   9           HN       VAL   9  79.307  -1.266   3.812
   64    HA   VAL   9           HA       VAL   9  77.702  -0.798   1.422
   65    HB   VAL   9           HB       VAL   9  78.736   1.034   3.613
   66   1HG1  VAL   9          HG12      VAL   9  76.642   1.362   1.456
   67   2HG1  VAL   9          HG11      VAL   9  76.643   2.348   2.918
   68   3HG1  VAL   9          HG13      VAL   9  78.013   2.413   1.809
   69   1HG2  VAL   9          HG22      VAL   9  76.854  -1.101   3.668
   70   2HG2  VAL   9          HG21      VAL   9  77.196   0.068   4.944
   71   3HG2  VAL   9          HG23      VAL   9  75.934   0.402   3.757
   72    H    GLU  10           HN       GLU  10  80.953   0.112   2.529
   73    HA   GLU  10           HA       GLU  10  81.454   1.907   0.277
   74   1HB   GLU  10           HB2      GLU  10  82.820   0.858   2.691
   75   2HB   GLU  10           HB1      GLU  10  83.886   1.299   1.357
   76   1HG   GLU  10           HG2      GLU  10  82.629   3.508   1.235
   77   2HG   GLU  10           HG1      GLU  10  81.866   3.060   2.762
   78    H    GLN  11           HN       GLN  11  81.711  -1.507   0.869
   79    HA   GLN  11           HA       GLN  11  83.751  -2.125  -1.090
   80   1HB   GLN  11           HB2      GLN  11  82.013  -3.429   0.807
   81   2HB   GLN  11           HB1      GLN  11  81.943  -4.289  -0.731
   82   1HG   GLN  11           HG2      GLN  11  83.889  -5.267  -0.146
   83   2HG   GLN  11           HG1      GLN  11  84.653  -3.698  -0.401
   84   1HE2  GLN  11          HE22      GLN  11  84.791  -2.923   3.109
   85   2HE2  GLN  11          HE21      GLN  11  84.689  -2.211   1.571
   86    H    LEU  12           HN       LEU  12  80.395  -1.302  -1.302
   87    HA   LEU  12           HA       LEU  12  79.532  -2.673  -3.611
   88   1HB   LEU  12           HB2      LEU  12  79.009   0.152  -2.634
   89   2HB   LEU  12           HB1      LEU  12  78.026  -0.680  -3.840
   90    HG   LEU  12           HG       LEU  12  78.457  -1.507  -0.957
   91   1HD1  LEU  12          HD13      LEU  12  76.111  -0.481  -2.561
   92   2HD1  LEU  12          HD12      LEU  12  75.894  -1.340  -1.036
   93   3HD1  LEU  12          HD11      LEU  12  76.786   0.181  -1.073
   94   1HD2  LEU  12          HD22      LEU  12  77.706  -3.047  -3.339
   95   2HD2  LEU  12          HD21      LEU  12  78.173  -3.618  -1.737
   96   3HD2  LEU  12          HD23      LEU  12  76.504  -3.143  -2.052
   97    H    THR  13           HN       THR  13  80.446  -2.697  -5.621
   98    HA   THR  13           HA       THR  13  82.563  -1.016  -6.496
   99    HB   THR  13           HB       THR  13  81.942  -1.991  -8.730
  100    HG1  THR  13           HG1      THR  13  79.592  -1.963  -7.843
  101   1HG2  THR  13          HG23      THR  13  82.094  -3.694  -6.252
  102   2HG2  THR  13          HG22      THR  13  81.977  -4.436  -7.847
  103   3HG2  THR  13          HG21      THR  13  83.342  -3.388  -7.461
  104    H    GLU  14           HN       GLU  14  82.572   0.873  -7.770
  105    HA   GLU  14           HA       GLU  14  80.732   2.899  -7.463
  106   1HB   GLU  14           HB2      GLU  14  82.765   2.113  -9.465
  107   2HB   GLU  14           HB1      GLU  14  81.602   3.314 -10.026
  108   1HG   GLU  14           HG2      GLU  14  83.472   4.484  -9.018
  109   2HG   GLU  14           HG1      GLU  14  82.078   4.649  -7.951
  110    H    GLU  15           HN       GLU  15  80.716   0.573 -10.193
  111    HA   GLU  15           HA       GLU  15  78.521   1.411 -11.651
  112   1HB   GLU  15           HB2      GLU  15  78.242  -1.005 -12.177
  113   2HB   GLU  15           HB1      GLU  15  79.942  -0.535 -12.154
  114   1HG   GLU  15           HG2      GLU  15  79.925  -1.268  -9.682
  115   2HG   GLU  15           HG1      GLU  15  78.398  -2.067 -10.062
  116    H    GLN  16           HN       GLN  16  78.469  -0.167  -8.483
  117    HA   GLN  16           HA       GLN  16  75.621  -0.701  -8.452
  118   1HB   GLN  16           HB2      GLN  16  77.518  -1.744  -7.084
  119   2HB   GLN  16           HB1      GLN  16  77.477  -0.281  -6.099
  120   1HG   GLN  16           HG2      GLN  16  75.669  -1.017  -4.980
  121   2HG   GLN  16           HG1      GLN  16  74.797  -1.294  -6.489
  122   1HE2  GLN  16          HE22      GLN  16  75.565  -4.537  -4.562
  123   2HE2  GLN  16          HE21      GLN  16  75.036  -3.033  -3.983
  124    H    LYS  17           HN       LYS  17  77.424   1.578  -6.359
  125    HA   LYS  17           HA       LYS  17  75.225   3.123  -5.528
  126   1HB   LYS  17           HB2      LYS  17  78.172   3.426  -5.775
  127   2HB   LYS  17           HB1      LYS  17  77.255   4.910  -5.512
  128   1HG   LYS  17           HG2      LYS  17  76.876   4.381  -3.354
  129   2HG   LYS  17           HG1      LYS  17  76.292   2.775  -3.794
  130   1HD   LYS  17           HD2      LYS  17  78.293   2.625  -2.355
  131   2HD   LYS  17           HD1      LYS  17  78.616   1.969  -3.961
  132   1HE   LYS  17           HE2      LYS  17  79.207   4.724  -4.150
  133   2HE   LYS  17           HE1      LYS  17  79.932   4.173  -2.626
  134   1HZ   LYS  17           HZ3      LYS  17  80.153   2.660  -5.167
  135   2HZ   LYS  17           HZ2      LYS  17  81.325   3.779  -4.657
  136   3HZ   LYS  17           HZ1      LYS  17  81.007   2.393  -3.727
  137    H    ASN  18           HN       ASN  18  77.191   3.446  -8.477
  138    HA   ASN  18           HA       ASN  18  76.169   5.978  -9.340
  139   1HB   ASN  18           HB2      ASN  18  77.405   3.559 -10.652
  140   2HB   ASN  18           HB1      ASN  18  76.892   4.942 -11.620
  141   1HD2  ASN  18          HD22      ASN  18  80.404   5.655 -10.746
  142   2HD2  ASN  18          HD21      ASN  18  79.559   4.573 -11.746
  143    H    GLU  19           HN       GLU  19  75.029   2.646  -9.889
  144    HA   GLU  19           HA       GLU  19  72.844   3.496 -11.642
  145   1HB   GLU  19           HB2      GLU  19  74.267   1.190 -11.150
  146   2HB   GLU  19           HB1      GLU  19  72.735   0.853 -10.340
  147   1HG   GLU  19           HG2      GLU  19  72.358   2.113 -12.951
  148   2HG   GLU  19           HG1      GLU  19  73.224   0.580 -13.063
  149    H    PHE  20           HN       PHE  20  73.242   2.684  -8.215
  150    HA   PHE  20           HA       PHE  20  70.418   2.573  -7.591
  151   1HB   PHE  20           HB2      PHE  20  73.033   2.763  -6.137
  152   2HB   PHE  20           HB1      PHE  20  71.546   3.056  -5.234
  153    HD1  PHE  20           HD1      PHE  20  72.243   0.731  -8.083
  154    HD2  PHE  20           HD2      PHE  20  71.147   1.129  -3.949
  155    HE1  PHE  20           HE1      PHE  20  71.833  -1.712  -7.956
  156    HE2  PHE  20           HE2      PHE  20  70.738  -1.314  -3.822
  157    HZ   PHE  20           HZ       PHE  20  71.080  -2.734  -5.826
  158    H    LYS  21           HN       LYS  21  72.749   5.168  -7.924
  159    HA   LYS  21           HA       LYS  21  71.435   7.195  -6.390
  160   1HB   LYS  21           HB2      LYS  21  73.721   7.389  -7.208
  161   2HB   LYS  21           HB1      LYS  21  73.171   7.272  -8.880
  162   1HG   LYS  21           HG2      LYS  21  71.794   9.390  -7.415
  163   2HG   LYS  21           HG1      LYS  21  73.541   9.630  -7.449
  164   1HD   LYS  21           HD2      LYS  21  73.408   9.138  -9.961
  165   2HD   LYS  21           HD1      LYS  21  71.662   9.323  -9.796
  166   1HE   LYS  21           HE2      LYS  21  72.708  11.466 -10.473
  167   2HE   LYS  21           HE1      LYS  21  72.018  11.604  -8.844
  168   1HZ   LYS  21           HZ1      LYS  21  74.736  10.572  -9.039
  169   2HZ   LYS  21           HZ3      LYS  21  74.539  12.223  -9.370
  170   3HZ   LYS  21           HZ2      LYS  21  74.045  11.593  -7.871
  171    H    ALA  22           HN       ALA  22  71.173   6.338  -9.857
  172    HA   ALA  22           HA       ALA  22  69.223   8.332 -10.527
  173   1HB   ALA  22           HB3      ALA  22  70.538   6.000 -11.678
  174   2HB   ALA  22           HB2      ALA  22  68.850   6.096 -12.184
  175   3HB   ALA  22           HB1      ALA  22  69.940   7.449 -12.486
  176    H    ALA  23           HN       ALA  23  68.748   4.806 -10.031
  177    HA   ALA  23           HA       ALA  23  65.949   4.730 -10.034
  178   1HB   ALA  23           HB2      ALA  23  68.201   3.179  -8.904
  179   2HB   ALA  23           HB1      ALA  23  66.650   2.898  -8.115
  180   3HB   ALA  23           HB3      ALA  23  66.819   2.623  -9.849
  181    H    PHE  24           HN       PHE  24  68.097   5.316  -7.224
  182    HA   PHE  24           HA       PHE  24  66.241   5.555  -5.165
  183   1HB   PHE  24           HB2      PHE  24  68.676   5.760  -4.924
  184   2HB   PHE  24           HB1      PHE  24  68.654   7.285  -5.809
  185    HD1  PHE  24           HD2      PHE  24  67.196   9.197  -4.842
  186    HD2  PHE  24           HD1      PHE  24  68.386   5.738  -2.589
  187    HE1  PHE  24           HE2      PHE  24  66.743  10.416  -2.731
  188    HE2  PHE  24           HE1      PHE  24  67.934   6.959  -0.478
  189    HZ   PHE  24           HZ       PHE  24  67.112   9.297  -0.549
  190    H    ASP  25           HN       ASP  25  67.096   8.012  -7.602
  191    HA   ASP  25           HA       ASP  25  65.345  10.065  -6.551
  192   1HB   ASP  25           HB2      ASP  25  66.299   9.738  -9.403
  193   2HB   ASP  25           HB1      ASP  25  66.016  11.237  -8.519
  194    H    ILE  26           HN       ILE  26  64.755   7.180  -8.308
  195    HA   ILE  26           HA       ILE  26  62.389   8.117  -9.755
  196    HB   ILE  26           HB       ILE  26  63.383   5.323  -9.113
  197   1HG1  ILE  26          HG12      ILE  26  65.139   6.716 -10.169
  198   2HG1  ILE  26          HG11      ILE  26  64.565   5.465 -11.272
  199   1HG2  ILE  26          HG22      ILE  26  61.028   5.659 -10.032
  200   2HG2  ILE  26          HG21      ILE  26  61.787   6.297 -11.491
  201   3HG2  ILE  26          HG23      ILE  26  62.086   4.630 -10.998
  202   1HD1  ILE  26          HD13      ILE  26  62.838   7.413 -11.931
  203   2HD1  ILE  26          HD12      ILE  26  64.185   8.416 -11.391
  204   3HD1  ILE  26          HD11      ILE  26  64.417   7.259 -12.701
  205    H    PHE  27           HN       PHE  27  63.027   6.213  -6.798
  206    HA   PHE  27           HA       PHE  27  60.237   5.648  -6.262
  207   1HB   PHE  27           HB2      PHE  27  62.549   5.748  -4.311
  208   2HB   PHE  27           HB1      PHE  27  61.127   4.706  -4.247
  209    HD1  PHE  27           HD2      PHE  27  60.770   3.310  -6.559
  210    HD2  PHE  27           HD1      PHE  27  64.520   4.750  -5.036
  211    HE1  PHE  27           HE2      PHE  27  61.968   1.591  -7.886
  212    HE2  PHE  27           HE1      PHE  27  65.718   3.031  -6.364
  213    HZ   PHE  27           HZ       PHE  27  64.443   1.452  -7.788
  214    H    VAL  28           HN       VAL  28  62.462   8.251  -5.359
  215    HA   VAL  28           HA       VAL  28  60.701   9.408  -3.350
  216    HB   VAL  28           HB       VAL  28  62.412  11.113  -3.302
  217   1HG1  VAL  28          HG11      VAL  28  62.996   8.310  -3.252
  218   2HG1  VAL  28          HG13      VAL  28  64.388   9.159  -3.921
  219   3HG1  VAL  28          HG12      VAL  28  63.765   9.603  -2.331
  220   1HG2  VAL  28          HG21      VAL  28  62.505  11.473  -5.759
  221   2HG2  VAL  28          HG23      VAL  28  64.114  11.289  -5.062
  222   3HG2  VAL  28          HG22      VAL  28  63.371   9.947  -5.932
  223    H    LEU  29           HN       LEU  29  60.292   9.158  -6.607
  224    HA   LEU  29           HA       LEU  29  59.781  11.625  -7.748
  225   1HB   LEU  29           HB2      LEU  29  58.588   8.907  -7.843
  226   2HB   LEU  29           HB1      LEU  29  57.613  10.196  -8.551
  227    HG   LEU  29           HG       LEU  29  60.528   9.720  -9.227
  228   1HD1  LEU  29          HD12      LEU  29  58.048   8.464 -10.201
  229   2HD1  LEU  29          HD11      LEU  29  59.066   9.128 -11.479
  230   3HD1  LEU  29          HD13      LEU  29  59.719   7.927 -10.365
  231   1HD2  LEU  29          HD23      LEU  29  58.892  11.946  -9.592
  232   2HD2  LEU  29          HD22      LEU  29  60.373  11.597 -10.483
  233   3HD2  LEU  29          HD21      LEU  29  58.812  11.111 -11.143
  234    H    GLY  30           HN       GLY  30  57.956  10.061  -5.165
  235   1HA   GLY  30           HA2      GLY  30  55.943  12.250  -5.229
  236   2HA   GLY  30           HA1      GLY  30  55.791  10.751  -4.312
  237    H    ALA  31           HN       ALA  31  58.697  11.110  -3.437
  238    HA   ALA  31           HA       ALA  31  58.382  12.079  -0.863
  239   1HB   ALA  31           HB2      ALA  31  60.676  12.191  -2.825
  240   2HB   ALA  31           HB1      ALA  31  60.872  12.732  -1.158
  241   3HB   ALA  31           HB3      ALA  31  60.429  11.059  -1.496
  242    H    GLU  32           HN       GLU  32  59.186  14.202   0.069
  243    HA   GLU  32           HA       GLU  32  58.167  16.471  -1.585
  244   1HB   GLU  32           HB2      GLU  32  57.786  17.527   0.566
  245   2HB   GLU  32           HB1      GLU  32  57.185  15.872   0.664
  246   1HG   GLU  32           HG2      GLU  32  59.960  15.851   1.356
  247   2HG   GLU  32           HG1      GLU  32  59.167  17.116   2.296
  248    H    ASP  33           HN       ASP  33  61.050  15.124  -0.270
  249    HA   ASP  33           HA       ASP  33  62.548  17.609  -1.021
  250   1HB   ASP  33           HB2      ASP  33  63.859  17.383   0.986
  251   2HB   ASP  33           HB1      ASP  33  62.169  17.237   1.475
  252    H    GLY  34           HN       GLY  34  62.580  14.090  -0.553
  253   1HA   GLY  34           HA2      GLY  34  63.697  13.083  -2.726
  254   2HA   GLY  34           HA1      GLY  34  65.123  13.898  -2.077
  255    H    CYS  35           HN       CYS  35  62.601  11.553  -1.132
  256    HA   CYS  35           HA       CYS  35  64.696   9.914   0.190
  257   1HB   CYS  35           HB2      CYS  35  62.504  11.470   1.490
  258   2HB   CYS  35           HB1      CYS  35  62.843   9.864   2.139
  259    HG   CYS  35           HG       CYS  35  64.389  11.925   3.150
  260    H    ILE  36           HN       ILE  36  64.069   7.701   0.338
  261    HA   ILE  36           HA       ILE  36  61.669   6.989  -1.283
  262    HB   ILE  36           HB       ILE  36  63.697   5.021  -0.261
  263   1HG1  ILE  36          HG12      ILE  36  64.177   7.028  -2.491
  264   2HG1  ILE  36          HG11      ILE  36  65.099   6.890  -0.992
  265   1HG2  ILE  36          HG23      ILE  36  61.706   5.254  -2.399
  266   2HG2  ILE  36          HG22      ILE  36  63.266   4.667  -2.977
  267   3HG2  ILE  36          HG21      ILE  36  62.425   3.810  -1.686
  268   1HD1  ILE  36          HD12      ILE  36  64.925   4.346  -2.415
  269   2HD1  ILE  36          HD11      ILE  36  65.686   5.604  -3.389
  270   3HD1  ILE  36          HD13      ILE  36  66.347   5.192  -1.807
  271    H    SER  37           HN       SER  37  60.018   7.256   0.320
  272    HA   SER  37           HA       SER  37  60.122   6.313   3.004
  273   1HB   SER  37           HB2      SER  37  57.896   6.969   3.004
  274   2HB   SER  37           HB1      SER  37  58.448   7.799   1.552
  275    HG   SER  37           HG       SER  37  57.300   6.477   0.372
  276    H    THR  38           HN       THR  38  59.018   4.409   3.906
  277    HA   THR  38           HA       THR  38  59.689   1.950   2.577
  278    HB   THR  38           HB       THR  38  59.513   2.423   5.051
  279    HG1  THR  38           HG1      THR  38  57.889   0.308   4.085
  280   1HG2  THR  38          HG23      THR  38  57.265   3.627   4.682
  281   2HG2  THR  38          HG22      THR  38  56.553   2.015   4.660
  282   3HG2  THR  38          HG21      THR  38  57.399   2.583   6.098
  283    H    LYS  39           HN       LYS  39  56.722   3.849   2.809
  284    HA   LYS  39           HA       LYS  39  54.790   1.977   1.980
  285   1HB   LYS  39           HB2      LYS  39  55.228   4.927   1.774
  286   2HB   LYS  39           HB1      LYS  39  53.903   4.233   0.838
  287   1HG   LYS  39           HG2      LYS  39  54.283   3.651   3.781
  288   2HG   LYS  39           HG1      LYS  39  53.314   5.007   3.204
  289   1HD   LYS  39           HD2      LYS  39  52.054   3.301   1.766
  290   2HD   LYS  39           HD1      LYS  39  52.848   2.058   2.733
  291   1HE   LYS  39           HE2      LYS  39  51.784   2.776   4.737
  292   2HE   LYS  39           HE1      LYS  39  51.298   4.323   4.014
  293   1HZ   LYS  39           HZ2      LYS  39  50.469   1.892   2.632
  294   2HZ   LYS  39           HZ1      LYS  39  49.674   2.242   4.091
  295   3HZ   LYS  39           HZ3      LYS  39  49.645   3.365   2.822
  296    H    GLU  40           HN       GLU  40  57.178   3.751   0.043
  297    HA   GLU  40           HA       GLU  40  56.064   2.616  -2.467
  298   1HB   GLU  40           HB2      GLU  40  57.886   4.811  -1.617
  299   2HB   GLU  40           HB1      GLU  40  58.208   4.093  -3.196
  300   1HG   GLU  40           HG2      GLU  40  56.668   5.750  -3.760
  301   2HG   GLU  40           HG1      GLU  40  55.608   4.360  -3.522
  302    H    LEU  41           HN       LEU  41  58.762   2.214  -0.261
  303    HA   LEU  41           HA       LEU  41  60.776   1.018  -1.710
  304   1HB   LEU  41           HB2      LEU  41  59.794   1.046   0.954
  305   2HB   LEU  41           HB1      LEU  41  60.153  -0.636   0.565
  306    HG   LEU  41           HG       LEU  41  62.080   1.639   0.037
  307   1HD1  LEU  41          HD11      LEU  41  61.550   0.003   2.477
  308   2HD1  LEU  41          HD13      LEU  41  63.234   0.323   2.062
  309   3HD1  LEU  41          HD12      LEU  41  62.125   1.665   2.343
  310   1HD2  LEU  41          HD21      LEU  41  61.970  -1.076  -0.780
  311   2HD2  LEU  41          HD23      LEU  41  63.312   0.051  -0.984
  312   3HD2  LEU  41          HD22      LEU  41  63.229  -0.972   0.451
  313    H    GLY  42           HN       GLY  42  57.739  -0.594  -0.705
  314   1HA   GLY  42           HA2      GLY  42  58.211  -3.192  -1.556
  315   2HA   GLY  42           HA1      GLY  42  56.635  -2.413  -1.727
  316    H    LYS  43           HN       LYS  43  56.730  -0.693  -3.678
  317    HA   LYS  43           HA       LYS  43  57.076  -2.227  -6.080
  318   1HB   LYS  43           HB2      LYS  43  56.382  -0.177  -7.152
  319   2HB   LYS  43           HB1      LYS  43  55.509  -0.286  -5.625
  320   1HG   LYS  43           HG2      LYS  43  56.427   1.633  -4.897
  321   2HG   LYS  43           HG1      LYS  43  58.053   1.035  -5.228
  322   1HD   LYS  43           HD2      LYS  43  57.442   3.108  -6.526
  323   2HD   LYS  43           HD1      LYS  43  57.916   1.741  -7.537
  324   1HE   LYS  43           HE2      LYS  43  55.951   2.094  -8.641
  325   2HE   LYS  43           HE1      LYS  43  55.163   1.389  -7.217
  326   1HZ   LYS  43           HZ1      LYS  43  55.981   4.233  -7.319
  327   2HZ   LYS  43           HZ3      LYS  43  54.452   3.724  -7.851
  328   3HZ   LYS  43           HZ2      LYS  43  54.911   3.486  -6.232
  329    H    VAL  44           HN       VAL  44  59.260  -0.296  -4.203
  330    HA   VAL  44           HA       VAL  44  61.144   0.317  -6.340
  331    HB   VAL  44           HB       VAL  44  61.388   0.205  -3.313
  332   1HG1  VAL  44          HG12      VAL  44  63.433   0.354  -5.171
  333   2HG1  VAL  44          HG11      VAL  44  63.112   2.050  -4.804
  334   3HG1  VAL  44          HG13      VAL  44  63.523   0.928  -3.506
  335   1HG2  VAL  44          HG21      VAL  44  60.175   2.092  -5.197
  336   2HG2  VAL  44          HG23      VAL  44  60.016   2.002  -3.444
  337   3HG2  VAL  44          HG22      VAL  44  61.383   2.851  -4.160
  338    H    MET  45           HN       MET  45  60.725  -2.275  -3.973
  339    HA   MET  45           HA       MET  45  63.281  -3.556  -4.452
  340   1HB   MET  45           HB2      MET  45  60.680  -4.133  -3.084
  341   2HB   MET  45           HB1      MET  45  61.774  -5.486  -3.383
  342   1HG   MET  45           HG2      MET  45  62.945  -2.994  -2.229
  343   2HG   MET  45           HG1      MET  45  61.964  -4.006  -1.168
  344   1HE   MET  45           HE1      MET  45  64.910  -3.037  -2.512
  345   2HE   MET  45           HE3      MET  45  66.151  -4.196  -2.017
  346   3HE   MET  45           HE2      MET  45  65.402  -4.328  -3.606
  347    H    ARG  46           HN       ARG  46  60.194  -3.567  -6.070
  348    HA   ARG  46           HA       ARG  46  60.524  -6.113  -7.445
  349   1HB   ARG  46           HB2      ARG  46  58.821  -3.674  -8.063
  350   2HB   ARG  46           HB1      ARG  46  58.562  -5.301  -8.693
  351   1HG   ARG  46           HG2      ARG  46  58.774  -5.139  -5.752
  352   2HG   ARG  46           HG1      ARG  46  57.364  -4.329  -6.437
  353   1HD   ARG  46           HD2      ARG  46  58.014  -7.053  -7.487
  354   2HD   ARG  46           HD1      ARG  46  57.301  -6.942  -5.866
  355    HE   ARG  46           HE       ARG  46  56.058  -5.699  -8.293
  356   1HH1  ARG  46          HH21      ARG  46  55.758  -8.035  -5.890
  357   2HH1  ARG  46          HH22      ARG  46  54.121  -7.650  -5.478
  358   1HH2  ARG  46          HH11      ARG  46  54.010  -4.808  -7.464
  359   2HH2  ARG  46          HH12      ARG  46  53.130  -5.821  -6.369
  360    H    MET  47           HN       MET  47  60.856  -2.688  -8.453
  361    HA   MET  47           HA       MET  47  61.632  -2.992 -11.110
  362   1HB   MET  47           HB2      MET  47  62.554  -1.139  -8.901
  363   2HB   MET  47           HB1      MET  47  63.037  -0.904 -10.582
  364   1HG   MET  47           HG2      MET  47  60.217  -1.361 -10.535
  365   2HG   MET  47           HG1      MET  47  60.587  -0.131  -9.327
  366   1HE   MET  47           HE1      MET  47  62.573   1.243  -9.709
  367   2HE   MET  47           HE3      MET  47  63.405   1.400 -11.262
  368   3HE   MET  47           HE2      MET  47  62.222   2.608 -10.765
  369    H    LEU  48           HN       LEU  48  63.752  -3.194  -8.232
  370    HA   LEU  48           HA       LEU  48  66.162  -3.764  -9.721
  371   1HB   LEU  48           HB2      LEU  48  65.377  -4.371  -6.851
  372   2HB   LEU  48           HB1      LEU  48  67.025  -4.282  -7.475
  373    HG   LEU  48           HG       LEU  48  65.013  -2.020  -7.340
  374   1HD1  LEU  48          HD12      LEU  48  66.254  -2.688  -5.238
  375   2HD1  LEU  48          HD11      LEU  48  67.753  -2.290  -6.078
  376   3HD1  LEU  48          HD13      LEU  48  66.554  -1.034  -5.771
  377   1HD2  LEU  48          HD22      LEU  48  67.609  -2.356  -8.804
  378   2HD2  LEU  48          HD21      LEU  48  66.145  -1.510  -9.307
  379   3HD2  LEU  48          HD23      LEU  48  67.223  -0.777  -8.119
  380    H    GLY  49           HN       GLY  49  63.624  -5.781  -8.286
  381   1HA   GLY  49           HA2      GLY  49  63.295  -7.959  -9.568
  382   2HA   GLY  49           HA1      GLY  49  65.034  -8.187  -9.373
  383    H    GLN  50           HN       GLN  50  63.043  -6.800  -6.834
  384    HA   GLN  50           HA       GLN  50  63.504  -9.290  -5.221
  385   1HB   GLN  50           HB2      GLN  50  63.218  -6.410  -4.307
  386   2HB   GLN  50           HB1      GLN  50  63.715  -7.783  -3.320
  387   1HG   GLN  50           HG2      GLN  50  65.259  -7.102  -5.807
  388   2HG   GLN  50           HG1      GLN  50  65.551  -6.203  -4.319
  389   1HE2  GLN  50          HE22      GLN  50  67.877  -8.796  -3.593
  390   2HE2  GLN  50          HE21      GLN  50  67.701  -7.176  -4.068
  391    H    ASN  51           HN       ASN  51  61.779  -9.808  -3.670
  392    HA   ASN  51           HA       ASN  51  59.155  -8.479  -4.211
  393   1HB   ASN  51           HB2      ASN  51  58.143 -10.699  -4.468
  394   2HB   ASN  51           HB1      ASN  51  59.463 -10.516  -5.622
  395   1HD2  ASN  51          HD22      ASN  51  59.740 -13.779  -3.655
  396   2HD2  ASN  51          HD21      ASN  51  58.421 -13.063  -4.447
  397    HA   PRO  52           HA       PRO  52  60.070  -9.432   0.286
  398   1HB   PRO  52           HB2      PRO  52  60.119  -6.846   1.180
  399   2HB   PRO  52           HB1      PRO  52  61.568  -7.690   0.595
  400   1HG   PRO  52           HG2      PRO  52  59.850  -5.696  -0.790
  401   2HG   PRO  52           HG1      PRO  52  61.607  -5.910  -0.848
  402   1HD   PRO  52           HD2      PRO  52  59.899  -6.763  -2.811
  403   2HD   PRO  52           HD1      PRO  52  61.488  -7.491  -2.492
  404    H    THR  53           HN       THR  53  58.539  -8.843   2.116
  405    HA   THR  53           HA       THR  53  55.798  -8.507   1.056
  406    HB   THR  53           HB       THR  53  55.489  -8.899   3.691
  407    HG1  THR  53           HG1      THR  53  57.344 -10.317   4.235
  408   1HG2  THR  53          HG23      THR  53  54.869 -10.434   1.799
  409   2HG2  THR  53          HG22      THR  53  56.505 -11.089   1.863
  410   3HG2  THR  53          HG21      THR  53  55.426 -11.276   3.244
  411    HA   PRO  54           HA       PRO  54  55.301  -4.349   2.360
  412   1HB   PRO  54           HB2      PRO  54  52.778  -4.359   3.433
  413   2HB   PRO  54           HB1      PRO  54  53.089  -4.466   1.689
  414   1HG   PRO  54           HG2      PRO  54  52.433  -6.629   3.630
  415   2HG   PRO  54           HG1      PRO  54  51.878  -6.402   1.963
  416   1HD   PRO  54           HD2      PRO  54  53.832  -8.162   2.647
  417   2HD   PRO  54           HD1      PRO  54  53.764  -7.354   1.064
  418    H    GLU  55           HN       GLU  55  54.861  -6.913   4.692
  419    HA   GLU  55           HA       GLU  55  54.904  -5.132   7.033
  420   1HB   GLU  55           HB2      GLU  55  53.743  -7.424   6.708
  421   2HB   GLU  55           HB1      GLU  55  55.345  -8.120   6.952
  422   1HG   GLU  55           HG2      GLU  55  55.261  -7.758   9.178
  423   2HG   GLU  55           HG1      GLU  55  54.729  -6.092   8.954
  424    H    GLU  56           HN       GLU  56  57.115  -7.514   5.533
  425    HA   GLU  56           HA       GLU  56  59.293  -7.264   7.325
  426   1HB   GLU  56           HB2      GLU  56  58.774  -8.130   4.542
  427   2HB   GLU  56           HB1      GLU  56  60.453  -7.721   4.891
  428   1HG   GLU  56           HG2      GLU  56  60.491  -9.275   6.766
  429   2HG   GLU  56           HG1      GLU  56  58.773  -9.619   6.556
  430    H    LEU  57           HN       LEU  57  58.495  -5.342   4.424
  431    HA   LEU  57           HA       LEU  57  60.728  -3.770   4.052
  432   1HB   LEU  57           HB2      LEU  57  57.901  -3.636   3.594
  433   2HB   LEU  57           HB1      LEU  57  58.458  -2.039   4.096
  434    HG   LEU  57           HG       LEU  57  60.224  -2.106   2.376
  435   1HD1  LEU  57          HD13      LEU  57  60.508  -4.576   2.367
  436   2HD1  LEU  57          HD12      LEU  57  58.942  -4.738   1.573
  437   3HD1  LEU  57          HD11      LEU  57  60.274  -3.935   0.741
  438   1HD2  LEU  57          HD22      LEU  57  57.330  -2.358   1.740
  439   2HD2  LEU  57          HD21      LEU  57  58.449  -1.043   1.382
  440   3HD2  LEU  57          HD23      LEU  57  58.438  -2.491   0.373
  441    H    GLN  58           HN       GLN  58  58.109  -2.879   6.347
  442    HA   GLN  58           HA       GLN  58  59.470  -0.705   7.570
  443   1HB   GLN  58           HB2      GLN  58  57.055  -1.248   7.751
  444   2HB   GLN  58           HB1      GLN  58  57.456  -2.664   8.724
  445   1HG   GLN  58           HG2      GLN  58  56.782  -0.583  10.035
  446   2HG   GLN  58           HG1      GLN  58  58.318  -1.314  10.502
  447   1HE2  GLN  58          HE22      GLN  58  60.261   1.467   9.475
  448   2HE2  GLN  58          HE21      GLN  58  60.277  -0.131  10.047
  449    H    GLU  59           HN       GLU  59  59.991  -4.110   7.847
  450    HA   GLU  59           HA       GLU  59  61.277  -4.007  10.487
  451   1HB   GLU  59           HB2      GLU  59  59.990  -5.917   9.181
  452   2HB   GLU  59           HB1      GLU  59  61.582  -6.227   8.488
  453   1HG   GLU  59           HG2      GLU  59  62.423  -7.024  10.450
  454   2HG   GLU  59           HG1      GLU  59  61.550  -5.836  11.419
  455    H    MET  60           HN       MET  60  62.358  -4.441   7.099
  456    HA   MET  60           HA       MET  60  65.177  -4.517   7.756
  457   1HB   MET  60           HB2      MET  60  63.410  -4.363   5.365
  458   2HB   MET  60           HB1      MET  60  65.077  -3.830   5.142
  459   1HG   MET  60           HG2      MET  60  64.275  -6.493   6.352
  460   2HG   MET  60           HG1      MET  60  64.776  -6.266   4.676
  461   1HE   MET  60           HE1      MET  60  66.599  -5.635   3.822
  462   2HE   MET  60           HE3      MET  60  67.687  -4.512   4.648
  463   3HE   MET  60           HE2      MET  60  68.176  -6.183   4.381
  464    H    ILE  61           HN       ILE  61  62.914  -1.975   7.684
  465    HA   ILE  61           HA       ILE  61  64.926   0.093   6.968
  466    HB   ILE  61           HB       ILE  61  61.951   0.103   7.558
  467   1HG1  ILE  61          HG12      ILE  61  63.480   0.675   5.002
  468   2HG1  ILE  61          HG11      ILE  61  62.764  -0.889   5.390
  469   1HG2  ILE  61          HG22      ILE  61  63.207   2.218   8.243
  470   2HG2  ILE  61          HG21      ILE  61  63.608   2.421   6.538
  471   3HG2  ILE  61          HG23      ILE  61  61.922   2.442   7.056
  472   1HD1  ILE  61          HD13      ILE  61  60.825   1.209   5.811
  473   2HD1  ILE  61          HD12      ILE  61  61.483   1.316   4.179
  474   3HD1  ILE  61          HD11      ILE  61  60.733  -0.181   4.731
  475    H    ASP  62           HN       ASP  62  62.513  -0.325   9.594
  476    HA   ASP  62           HA       ASP  62  63.592   1.558  11.396
  477   1HB   ASP  62           HB2      ASP  62  61.645  -0.544  11.319
  478   2HB   ASP  62           HB1      ASP  62  62.554  -0.688  12.824
  479    H    GLU  63           HN       GLU  63  64.858  -1.528  10.460
  480    HA   GLU  63           HA       GLU  63  66.435  -1.955  12.896
  481   1HB   GLU  63           HB2      GLU  63  65.782  -3.294  10.370
  482   2HB   GLU  63           HB1      GLU  63  67.461  -3.537  10.858
  483   1HG   GLU  63           HG2      GLU  63  65.820  -3.784  13.186
  484   2HG   GLU  63           HG1      GLU  63  65.126  -4.793  11.916
  485    H    VAL  64           HN       VAL  64  66.877  -0.350   9.807
  486    HA   VAL  64           HA       VAL  64  69.782   0.028  10.439
  487    HB   VAL  64           HB       VAL  64  68.901  -1.093   8.278
  488   1HG1  VAL  64          HG13      VAL  64  67.173   0.853   8.048
  489   2HG1  VAL  64          HG12      VAL  64  68.525   1.744   7.348
  490   3HG1  VAL  64          HG11      VAL  64  67.970   0.249   6.595
  491   1HG2  VAL  64          HG22      VAL  64  71.219  -0.108   8.706
  492   2HG2  VAL  64          HG21      VAL  64  70.725  -0.199   7.015
  493   3HG2  VAL  64          HG23      VAL  64  70.653   1.341   7.872
  494    H    ASP  65           HN       ASP  65  66.729   1.661   9.938
  495    HA   ASP  65           HA       ASP  65  67.655   4.301   9.372
  496   1HB   ASP  65           HB2      ASP  65  65.257   2.971   9.729
  497   2HB   ASP  65           HB1      ASP  65  65.298   4.060  11.116
  498    H    GLU  66           HN       GLU  66  69.203   5.269  10.661
  499    HA   GLU  66           HA       GLU  66  69.102   4.886  13.608
  500   1HB   GLU  66           HB2      GLU  66  71.169   4.666  12.074
  501   2HB   GLU  66           HB1      GLU  66  71.127   6.427  11.976
  502   1HG   GLU  66           HG2      GLU  66  71.792   6.700  14.151
  503   2HG   GLU  66           HG1      GLU  66  70.927   5.266  14.703
  504    H    ASP  67           HN       ASP  67  68.750   7.390  11.131
  505    HA   ASP  67           HA       ASP  67  68.665   9.628  12.975
  506   1HB   ASP  67           HB2      ASP  67  67.824  10.796  10.942
  507   2HB   ASP  67           HB1      ASP  67  69.243   9.808  10.590
  508    H    GLY  68           HN       GLY  68  66.489   7.105  12.354
  509   1HA   GLY  68           HA2      GLY  68  64.231   6.778  12.899
  510   2HA   GLY  68           HA1      GLY  68  64.480   8.037  14.109
  511    H    SER  69           HN       SER  69  64.718   8.328  10.573
  512    HA   SER  69           HA       SER  69  62.870  10.639  10.680
  513   1HB   SER  69           HB2      SER  69  63.724  11.037   8.444
  514   2HB   SER  69           HB1      SER  69  65.085  10.592   9.470
  515    HG   SER  69           HG       SER  69  64.782   9.497   7.323
  516    H    GLY  70           HN       GLY  70  63.016   7.348   9.372
  517   1HA   GLY  70           HA2      GLY  70  60.978   6.046   9.061
  518   2HA   GLY  70           HA1      GLY  70  60.105   7.551   8.774
  519    H    THR  71           HN       THR  71  62.995   7.821   7.175
  520    HA   THR  71           HA       THR  71  61.824   6.712   4.641
  521    HB   THR  71           HB       THR  71  63.306   8.737   3.744
  522    HG1  THR  71           HG1      THR  71  62.472   9.832   6.179
  523   1HG2  THR  71          HG23      THR  71  60.636   8.294   4.074
  524   2HG2  THR  71          HG22      THR  71  60.856   9.745   5.051
  525   3HG2  THR  71          HG21      THR  71  61.309   9.752   3.347
  526    H    VAL  72           HN       VAL  72  63.448   6.009   3.057
  527    HA   VAL  72           HA       VAL  72  65.977   5.096   4.366
  528    HB   VAL  72           HB       VAL  72  64.852   4.104   1.748
  529   1HG1  VAL  72          HG12      VAL  72  67.120   3.425   2.680
  530   2HG1  VAL  72          HG11      VAL  72  66.248   2.633   3.993
  531   3HG1  VAL  72          HG13      VAL  72  66.016   2.094   2.330
  532   1HG2  VAL  72          HG23      VAL  72  63.742   3.735   4.497
  533   2HG2  VAL  72          HG22      VAL  72  62.912   3.719   2.941
  534   3HG2  VAL  72          HG21      VAL  72  63.828   2.307   3.466
  535    H    ASP  73           HN       ASP  73  67.417   6.805   3.964
  536    HA   ASP  73           HA       ASP  73  67.545   8.025   1.271
  537   1HB   ASP  73           HB2      ASP  73  68.729   8.477   3.997
  538   2HB   ASP  73           HB1      ASP  73  69.490   9.231   2.596
  539    H    PHE  74           HN       PHE  74  69.795   8.210   0.269
  540    HA   PHE  74           HA       PHE  74  70.909   5.771  -0.469
  541   1HB   PHE  74           HB2      PHE  74  71.307   8.291  -1.168
  542   2HB   PHE  74           HB1      PHE  74  72.667   8.172  -0.049
  543    HD1  PHE  74           HD1      PHE  74  71.162   5.633  -2.354
  544    HD2  PHE  74           HD2      PHE  74  74.614   7.986  -1.349
  545    HE1  PHE  74           HE1      PHE  74  72.481   4.437  -4.081
  546    HE2  PHE  74           HE2      PHE  74  75.931   6.789  -3.076
  547    HZ   PHE  74           HZ       PHE  74  74.865   5.014  -4.441
  548    H    ASP  75           HN       ASP  75  71.410   7.536   2.515
  549    HA   ASP  75           HA       ASP  75  73.839   6.183   3.335
  550   1HB   ASP  75           HB2      ASP  75  71.912   8.143   4.308
  551   2HB   ASP  75           HB1      ASP  75  72.435   7.057   5.597
  552    H    GLU  76           HN       GLU  76  70.482   5.874   4.575
  553    HA   GLU  76           HA       GLU  76  71.088   3.319   5.861
  554   1HB   GLU  76           HB2      GLU  76  68.462   4.747   5.321
  555   2HB   GLU  76           HB1      GLU  76  68.728   3.474   6.515
  556   1HG   GLU  76           HG2      GLU  76  69.892   4.863   7.946
  557   2HG   GLU  76           HG1      GLU  76  70.493   5.881   6.637
  558    H    PHE  77           HN       PHE  77  69.549   4.385   2.861
  559    HA   PHE  77           HA       PHE  77  68.213   2.011   2.093
  560   1HB   PHE  77           HB2      PHE  77  68.213   4.318   1.029
  561   2HB   PHE  77           HB1      PHE  77  69.765   3.899   0.301
  562    HD1  PHE  77           HD1      PHE  77  66.179   2.941   0.494
  563    HD2  PHE  77           HD2      PHE  77  69.905   2.437  -1.583
  564    HE1  PHE  77           HE1      PHE  77  65.003   1.723  -1.319
  565    HE2  PHE  77           HE2      PHE  77  68.729   1.220  -3.397
  566    HZ   PHE  77           HZ       PHE  77  66.278   0.863  -3.265
  567    H    LEU  78           HN       LEU  78  71.648   2.854   1.944
  568    HA   LEU  78           HA       LEU  78  72.440   0.636   0.253
  569   1HB   LEU  78           HB2      LEU  78  73.645   2.797   1.873
  570   2HB   LEU  78           HB1      LEU  78  74.658   1.365   1.687
  571    HG   LEU  78           HG       LEU  78  73.384   2.954  -0.559
  572   1HD1  LEU  78          HD11      LEU  78  75.825   3.275   0.879
  573   2HD1  LEU  78          HD13      LEU  78  76.231   2.669  -0.727
  574   3HD1  LEU  78          HD12      LEU  78  75.288   4.150  -0.555
  575   1HD2  LEU  78          HD22      LEU  78  74.811   0.317  -0.434
  576   2HD2  LEU  78          HD21      LEU  78  73.430   0.792  -1.422
  577   3HD2  LEU  78          HD23      LEU  78  75.048   1.347  -1.846
  578    H    VAL  79           HN       VAL  79  73.015   1.199   3.754
  579    HA   VAL  79           HA       VAL  79  74.006  -1.300   4.485
  580    HB   VAL  79           HB       VAL  79  72.050   0.529   5.919
  581   1HG1  VAL  79          HG11      VAL  79  72.142  -1.719   6.950
  582   2HG1  VAL  79          HG13      VAL  79  73.900  -1.606   7.028
  583   3HG1  VAL  79          HG12      VAL  79  72.902  -0.511   7.984
  584   1HG2  VAL  79          HG21      VAL  79  74.941   0.586   5.332
  585   2HG2  VAL  79          HG23      VAL  79  73.860   1.904   5.783
  586   3HG2  VAL  79          HG22      VAL  79  74.546   0.860   7.028
  587    H    MET  80           HN       MET  80  70.545  -0.376   4.262
  588    HA   MET  80           HA       MET  80  69.392  -2.812   5.097
  589   1HB   MET  80           HB2      MET  80  68.625  -0.371   3.912
  590   2HB   MET  80           HB1      MET  80  68.003  -1.627   2.840
  591   1HG   MET  80           HG2      MET  80  66.983  -2.761   4.808
  592   2HG   MET  80           HG1      MET  80  67.536  -1.434   5.830
  593   1HE   MET  80           HE2      MET  80  65.425  -2.695   3.022
  594   2HE   MET  80           HE1      MET  80  64.368  -1.374   2.528
  595   3HE   MET  80           HE3      MET  80  66.082  -1.353   2.088
  596    H    MET  81           HN       MET  81  70.191  -1.820   1.739
  597    HA   MET  81           HA       MET  81  69.522  -4.221   0.419
  598   1HB   MET  81           HB2      MET  81  71.309  -1.883   0.018
  599   2HB   MET  81           HB1      MET  81  71.668  -3.295  -0.976
  600   1HG   MET  81           HG2      MET  81  68.842  -2.289  -0.728
  601   2HG   MET  81           HG1      MET  81  69.956  -1.550  -1.878
  602   1HE   MET  81           HE1      MET  81  67.609  -2.301  -2.756
  603   2HE   MET  81           HE3      MET  81  68.427  -2.627  -4.290
  604   3HE   MET  81           HE2      MET  81  67.330  -3.821  -3.602
  605    H    VAL  82           HN       VAL  82  72.855  -3.262   1.335
  606    HA   VAL  82           HA       VAL  82  74.127  -5.722   0.911
  607    HB   VAL  82           HB       VAL  82  75.261  -3.616   1.422
  608   1HG1  VAL  82          HG13      VAL  82  74.067  -3.964   4.189
  609   2HG1  VAL  82          HG12      VAL  82  75.219  -2.712   3.726
  610   3HG1  VAL  82          HG11      VAL  82  73.606  -2.732   3.016
  611   1HG2  VAL  82          HG21      VAL  82  75.713  -6.006   3.162
  612   2HG2  VAL  82          HG23      VAL  82  76.765  -5.300   1.935
  613   3HG2  VAL  82          HG22      VAL  82  76.623  -4.539   3.521
  614    H    ARG  83           HN       ARG  83  71.871  -4.863   3.415
  615    HA   ARG  83           HA       ARG  83  72.678  -7.043   5.224
  616   1HB   ARG  83           HB2      ARG  83  70.681  -4.815   5.130
  617   2HB   ARG  83           HB1      ARG  83  70.384  -6.152   6.243
  618   1HG   ARG  83           HG2      ARG  83  72.845  -5.812   6.982
  619   2HG   ARG  83           HG1      ARG  83  72.717  -4.244   6.185
  620   1HD   ARG  83           HD2      ARG  83  71.526  -3.392   7.916
  621   2HD   ARG  83           HD1      ARG  83  70.400  -4.763   7.884
  622    HE   ARG  83           HE       ARG  83  73.102  -5.196   9.048
  623   1HH1  ARG  83          HH11      ARG  83  69.879  -4.265   9.692
  624   2HH1  ARG  83          HH12      ARG  83  69.735  -5.219  11.131
  625   1HH2  ARG  83          HH21      ARG  83  72.844  -6.711  10.772
  626   2HH2  ARG  83          HH22      ARG  83  71.413  -6.603  11.742
  627    H    CYS  84           HN       CYS  84  70.221  -6.454   2.747
  628    HA   CYS  84           HA       CYS  84  68.645  -8.820   3.447
  629   1HB   CYS  84           HB2      CYS  84  67.305  -8.126   1.580
  630   2HB   CYS  84           HB1      CYS  84  67.861  -6.647   2.360
  631    HG   CYS  84           HG       CYS  84  69.512  -7.710  -0.053
  632    H    MET  85           HN       MET  85  71.216  -8.031   1.140
  633    HA   MET  85           HA       MET  85  71.007 -10.707  -0.125
  634   1HB   MET  85           HB2      MET  85  72.760  -9.739  -1.611
  635   2HB   MET  85           HB1      MET  85  71.339  -8.699  -1.498
  636   1HG   MET  85           HG2      MET  85  72.425  -7.161  -0.082
  637   2HG   MET  85           HG1      MET  85  73.676  -8.320   0.366
  638   1HE   MET  85           HE3      MET  85  72.187  -5.926  -2.015
  639   2HE   MET  85           HE2      MET  85  73.527  -5.091  -1.234
  640   3HE   MET  85           HE1      MET  85  73.554  -5.345  -2.976
  641    H    LYS  86           HN       LYS  86  72.436  -9.451   2.613
  642    HA   LYS  86           HA       LYS  86  74.070 -10.364   4.063
  643   1HB   LYS  86           HB2      LYS  86  73.092 -12.432   2.394
  644   2HB   LYS  86           HB1      LYS  86  74.845 -12.625   2.440
  645   1HG   LYS  86           HG2      LYS  86  74.755 -12.493   4.932
  646   2HG   LYS  86           HG1      LYS  86  72.994 -12.429   4.835
  647   1HD   LYS  86           HD2      LYS  86  72.867 -14.621   3.900
  648   2HD   LYS  86           HD1      LYS  86  74.603 -14.664   3.586
  649   1HE   LYS  86           HE2      LYS  86  75.081 -14.702   5.985
  650   2HE   LYS  86           HE1      LYS  86  73.352 -14.544   6.354
  651   1HZ   LYS  86           HZ3      LYS  86  73.032 -16.562   4.912
  652   2HZ   LYS  86           HZ2      LYS  86  74.717 -16.777   4.959
  653   3HZ   LYS  86           HZ1      LYS  86  73.808 -16.846   6.393
  654    H    ASP  87           HN       ASP  87  76.451 -11.752   3.336
  655    HA   ASP  87           HA       ASP  87  77.833 -10.426   1.150
  656   1HB   ASP  87           HB2      ASP  87  77.371  -8.761   3.184
  657   2HB   ASP  87           HB1      ASP  87  78.804  -9.550   3.845
  658    H    ASP  88           HN       ASP  88  77.602 -13.133   2.043
  659    HA   ASP  88           HA       ASP  88  80.474 -13.722   2.606
  660   1HB   ASP  88           HB2      ASP  88  78.097 -14.213   4.291
  661   2HB   ASP  88           HB1      ASP  88  79.142 -15.620   4.082
  662    H    SER  89           HN       SER  89  77.776 -15.992   2.695
  663    HA   SER  89           HA       SER  89  77.444 -17.952   1.394
  664   1HB   SER  89           HB2      SER  89  76.701 -17.308  -0.733
  665   2HB   SER  89           HB1      SER  89  76.650 -15.777   0.136
  666    HG   SER  89           HG       SER  89  78.795 -15.402  -0.689
   
  No H/Q in entry =         666
  Start of MODEL   24
    1   1H    MET   1           HT3      MET   1  81.843  -2.491  20.538
    2   2H    MET   1           HT2      MET   1  83.419  -3.045  20.854
    3   3H    MET   1           HT1      MET   1  83.013  -1.420  21.142
    4    HA   MET   1           HA       MET   1  83.011  -0.864  18.908
    5   1HB   MET   1           HB2      MET   1  85.112  -2.418  20.061
    6   2HB   MET   1           HB1      MET   1  85.017  -2.835  18.349
    7   1HG   MET   1           HG2      MET   1  84.700  -0.020  18.519
    8   2HG   MET   1           HG1      MET   1  86.065  -0.441  19.555
    9   1HE   MET   1           HE2      MET   1  86.048   1.346  17.389
   10   2HE   MET   1           HE1      MET   1  87.288   0.982  16.191
   11   3HE   MET   1           HE3      MET   1  85.584   0.682  15.824
   12    H    ASP   2           HN       ASP   2  80.941  -1.689  18.055
   13    HA   ASP   2           HA       ASP   2  81.215  -4.281  16.564
   14   1HB   ASP   2           HB2      ASP   2  78.668  -2.869  17.395
   15   2HB   ASP   2           HB1      ASP   2  78.860  -4.554  16.909
   16    H    ASP   3           HN       ASP   3  81.210  -4.077  14.358
   17    HA   ASP   3           HA       ASP   3  79.521  -2.212  12.940
   18   1HB   ASP   3           HB2      ASP   3  81.310  -0.712  12.155
   19   2HB   ASP   3           HB1      ASP   3  81.185  -0.664  13.913
   20    H    ILE   4           HN       ILE   4  79.051  -3.739  11.403
   21    HA   ILE   4           HA       ILE   4  81.343  -4.876   9.839
   22    HB   ILE   4           HB       ILE   4  80.118  -6.956   9.742
   23   1HG1  ILE   4          HG12      ILE   4  77.905  -5.576  11.288
   24   2HG1  ILE   4          HG11      ILE   4  77.862  -5.849   9.545
   25   1HG2  ILE   4          HG21      ILE   4  81.279  -6.078  11.973
   26   2HG2  ILE   4          HG23      ILE   4  79.631  -6.193  12.589
   27   3HG2  ILE   4          HG22      ILE   4  80.428  -7.622  11.932
   28   1HD1  ILE   4          HD12      ILE   4  78.537  -8.342  10.521
   29   2HD1  ILE   4          HD11      ILE   4  77.414  -7.744  11.743
   30   3HD1  ILE   4          HD13      ILE   4  76.911  -7.842  10.056
   31    H    TYR   5           HN       TYR   5  78.126  -3.473   9.845
   32    HA   TYR   5           HA       TYR   5  77.715  -3.897   6.961
   33   1HB   TYR   5           HB2      TYR   5  76.228  -2.389   9.135
   34   2HB   TYR   5           HB1      TYR   5  75.636  -2.577   7.485
   35    HD1  TYR   5           HD2      TYR   5  75.296  -4.930   6.566
   36    HD2  TYR   5           HD1      TYR   5  75.961  -4.121  10.732
   37    HE1  TYR   5           HE2      TYR   5  74.389  -7.164   7.145
   38    HE2  TYR   5           HE1      TYR   5  75.054  -6.355  11.311
   39    HH   TYR   5           HH       TYR   5  73.237  -8.038   9.835
   40    H    LYS   6           HN       LYS   6  78.674  -1.265   9.146
   41    HA   LYS   6           HA       LYS   6  78.488   0.910   7.324
   42   1HB   LYS   6           HB2      LYS   6  79.788   2.041   8.949
   43   2HB   LYS   6           HB1      LYS   6  78.989   0.771   9.874
   44   1HG   LYS   6           HG2      LYS   6  80.972  -0.616   9.807
   45   2HG   LYS   6           HG1      LYS   6  81.768   0.496   8.695
   46   1HD   LYS   6           HD2      LYS   6  80.943   1.117  11.547
   47   2HD   LYS   6           HD1      LYS   6  82.593   0.869  10.972
   48   1HE   LYS   6           HE2      LYS   6  82.607   3.144  10.709
   49   2HE   LYS   6           HE1      LYS   6  81.664   2.814   9.241
   50   1HZ   LYS   6           HZ2      LYS   6  79.706   2.670  10.910
   51   2HZ   LYS   6           HZ1      LYS   6  80.713   3.596  11.916
   52   3HZ   LYS   6           HZ3      LYS   6  80.250   4.196  10.399
   53    H    ALA   7           HN       ALA   7  81.006  -1.540   7.792
   54    HA   ALA   7           HA       ALA   7  82.934  -0.312   5.994
   55   1HB   ALA   7           HB1      ALA   7  82.735  -2.480   7.826
   56   2HB   ALA   7           HB3      ALA   7  83.205  -3.170   6.273
   57   3HB   ALA   7           HB2      ALA   7  84.186  -1.902   7.006
   58    H    ALA   8           HN       ALA   8  80.382  -2.757   5.690
   59    HA   ALA   8           HA       ALA   8  80.990  -3.679   3.053
   60   1HB   ALA   8           HB1      ALA   8  79.341  -4.481   4.927
   61   2HB   ALA   8           HB3      ALA   8  78.202  -3.376   4.157
   62   3HB   ALA   8           HB2      ALA   8  78.887  -4.719   3.240
   63    H    VAL   9           HN       VAL   9  78.904  -1.018   4.205
   64    HA   VAL   9           HA       VAL   9  77.746  -0.185   1.790
   65    HB   VAL   9           HB       VAL   9  78.816   1.342   4.182
   66   1HG1  VAL   9          HG12      VAL   9  78.063   2.425   1.707
   67   2HG1  VAL   9          HG11      VAL   9  76.644   2.622   2.736
   68   3HG1  VAL   9          HG13      VAL   9  78.196   3.293   3.236
   69   1HG2  VAL   9          HG22      VAL   9  76.734  -0.450   3.973
   70   2HG2  VAL   9          HG21      VAL   9  76.839   0.828   5.184
   71   3HG2  VAL   9          HG23      VAL   9  75.919   1.090   3.702
   72    H    GLU  10           HN       GLU  10  81.006   0.479   3.046
   73    HA   GLU  10           HA       GLU  10  81.704   2.213   0.777
   74   1HB   GLU  10           HB2      GLU  10  82.590   1.682   3.410
   75   2HB   GLU  10           HB1      GLU  10  83.921   1.217   2.350
   76   1HG   GLU  10           HG2      GLU  10  84.119   3.372   1.439
   77   2HG   GLU  10           HG1      GLU  10  82.487   3.830   1.928
   78    H    GLN  11           HN       GLN  11  81.501  -1.132   1.262
   79    HA   GLN  11           HA       GLN  11  83.820  -1.884  -0.387
   80   1HB   GLN  11           HB2      GLN  11  81.933  -3.075   1.437
   81   2HB   GLN  11           HB1      GLN  11  81.967  -4.011  -0.059
   82   1HG   GLN  11           HG2      GLN  11  83.996  -4.853   0.436
   83   2HG   GLN  11           HG1      GLN  11  84.650  -3.240   0.723
   84   1HE2  GLN  11          HE22      GLN  11  84.473  -3.518   4.234
   85   2HE2  GLN  11          HE21      GLN  11  84.936  -2.581   2.897
   86    H    LEU  12           HN       LEU  12  80.335  -1.448  -0.789
   87    HA   LEU  12           HA       LEU  12  79.721  -2.772  -3.132
   88   1HB   LEU  12           HB2      LEU  12  79.097   0.049  -2.222
   89   2HB   LEU  12           HB1      LEU  12  78.288  -0.710  -3.593
   90    HG   LEU  12           HG       LEU  12  78.336  -1.781  -0.755
   91   1HD1  LEU  12          HD13      LEU  12  76.643   0.127  -2.100
   92   2HD1  LEU  12          HD12      LEU  12  75.711  -1.321  -1.719
   93   3HD1  LEU  12          HD11      LEU  12  76.550  -0.449  -0.436
   94   1HD2  LEU  12          HD22      LEU  12  77.460  -2.887  -3.386
   95   2HD2  LEU  12          HD21      LEU  12  78.098  -3.726  -1.972
   96   3HD2  LEU  12          HD23      LEU  12  76.417  -3.194  -1.998
   97    H    THR  13           HN       THR  13  80.073  -2.405  -5.371
   98    HA   THR  13           HA       THR  13  82.522  -0.904  -6.035
   99    HB   THR  13           HB       THR  13  81.231  -1.987  -8.326
  100    HG1  THR  13           HG1      THR  13  80.768  -4.061  -7.607
  101   1HG2  THR  13          HG23      THR  13  83.640  -2.396  -6.697
  102   2HG2  THR  13          HG22      THR  13  83.097  -3.851  -7.534
  103   3HG2  THR  13          HG21      THR  13  83.455  -2.389  -8.452
  104    H    GLU  14           HN       GLU  14  82.534   0.662  -7.835
  105    HA   GLU  14           HA       GLU  14  80.601   2.732  -7.615
  106   1HB   GLU  14           HB2      GLU  14  82.688   1.924  -9.638
  107   2HB   GLU  14           HB1      GLU  14  81.695   3.360  -9.895
  108   1HG   GLU  14           HG2      GLU  14  82.812   4.543  -8.320
  109   2HG   GLU  14           HG1      GLU  14  82.795   3.196  -7.181
  110    H    GLU  15           HN       GLU  15  81.067   0.510 -10.398
  111    HA   GLU  15           HA       GLU  15  78.873   1.131 -11.958
  112   1HB   GLU  15           HB2      GLU  15  78.995  -1.202 -12.698
  113   2HB   GLU  15           HB1      GLU  15  80.624  -0.611 -12.366
  114   1HG   GLU  15           HG2      GLU  15  80.659  -2.644 -11.237
  115   2HG   GLU  15           HG1      GLU  15  80.144  -1.556  -9.948
  116    H    GLN  16           HN       GLN  16  78.863  -0.662  -8.905
  117    HA   GLN  16           HA       GLN  16  76.081  -1.492  -9.064
  118   1HB   GLN  16           HB2      GLN  16  77.623  -2.728  -7.709
  119   2HB   GLN  16           HB1      GLN  16  78.167  -1.269  -6.881
  120   1HG   GLN  16           HG2      GLN  16  76.558  -1.517  -5.331
  121   2HG   GLN  16           HG1      GLN  16  75.319  -1.491  -6.588
  122   1HE2  GLN  16          HE22      GLN  16  75.288  -5.117  -6.890
  123   2HE2  GLN  16          HE21      GLN  16  75.206  -3.725  -7.859
  124    H    LYS  17           HN       LYS  17  77.627   0.784  -6.761
  125    HA   LYS  17           HA       LYS  17  75.263   2.033  -5.859
  126   1HB   LYS  17           HB2      LYS  17  78.029   3.222  -6.262
  127   2HB   LYS  17           HB1      LYS  17  76.810   3.800  -5.126
  128   1HG   LYS  17           HG2      LYS  17  77.354   2.227  -3.603
  129   2HG   LYS  17           HG1      LYS  17  77.312   0.944  -4.814
  130   1HD   LYS  17           HD2      LYS  17  79.566   0.927  -4.226
  131   2HD   LYS  17           HD1      LYS  17  79.584   2.026  -5.604
  132   1HE   LYS  17           HE2      LYS  17  80.705   3.381  -4.105
  133   2HE   LYS  17           HE1      LYS  17  79.053   3.794  -3.605
  134   1HZ   LYS  17           HZ2      LYS  17  80.372   1.390  -2.523
  135   2HZ   LYS  17           HZ1      LYS  17  80.701   2.910  -1.838
  136   3HZ   LYS  17           HZ3      LYS  17  79.112   2.314  -1.852
  137    H    ASN  18           HN       ASN  18  76.967   2.399  -8.879
  138    HA   ASN  18           HA       ASN  18  76.006   5.007  -9.630
  139   1HB   ASN  18           HB2      ASN  18  77.414   2.707 -10.764
  140   2HB   ASN  18           HB1      ASN  18  76.370   3.497 -11.945
  141   1HD2  ASN  18          HD22      ASN  18  79.663   5.457 -10.525
  142   2HD2  ASN  18          HD21      ASN  18  79.163   4.001  -9.810
  143    H    GLU  19           HN       GLU  19  74.814   1.713 -10.371
  144    HA   GLU  19           HA       GLU  19  72.495   2.632 -11.839
  145   1HB   GLU  19           HB2      GLU  19  73.819   0.188 -11.064
  146   2HB   GLU  19           HB1      GLU  19  72.087   0.036 -10.763
  147   1HG   GLU  19           HG2      GLU  19  71.687  -0.179 -12.966
  148   2HG   GLU  19           HG1      GLU  19  72.495   1.355 -13.288
  149    H    PHE  20           HN       PHE  20  73.034   1.561  -8.477
  150    HA   PHE  20           HA       PHE  20  70.290   1.652  -7.642
  151   1HB   PHE  20           HB2      PHE  20  73.004   1.748  -6.348
  152   2HB   PHE  20           HB1      PHE  20  71.565   2.005  -5.361
  153    HD1  PHE  20           HD2      PHE  20  72.693  -0.301  -8.107
  154    HD2  PHE  20           HD1      PHE  20  70.654   0.120  -4.349
  155    HE1  PHE  20           HE2      PHE  20  72.295  -2.747  -8.049
  156    HE2  PHE  20           HE1      PHE  20  70.255  -2.328  -4.292
  157    HZ   PHE  20           HZ       PHE  20  71.075  -3.760  -6.143
  158    H    LYS  21           HN       LYS  21  72.705   4.137  -8.128
  159    HA   LYS  21           HA       LYS  21  71.560   6.188  -6.466
  160   1HB   LYS  21           HB2      LYS  21  73.850   6.223  -7.334
  161   2HB   LYS  21           HB1      LYS  21  73.245   6.270  -8.990
  162   1HG   LYS  21           HG2      LYS  21  71.947   8.405  -8.119
  163   2HG   LYS  21           HG1      LYS  21  73.229   8.423  -6.906
  164   1HD   LYS  21           HD2      LYS  21  73.825   8.195  -9.859
  165   2HD   LYS  21           HD1      LYS  21  73.673   9.756  -9.053
  166   1HE   LYS  21           HE2      LYS  21  75.480   7.673  -7.850
  167   2HE   LYS  21           HE1      LYS  21  76.051   8.632  -9.230
  168   1HZ   LYS  21           HZ2      LYS  21  74.626  10.093  -7.161
  169   2HZ   LYS  21           HZ1      LYS  21  76.156   9.505  -6.715
  170   3HZ   LYS  21           HZ3      LYS  21  76.003  10.539  -8.051
  171    H    ALA  22           HN       ALA  22  70.999   5.204  -9.839
  172    HA   ALA  22           HA       ALA  22  69.296   7.439 -10.528
  173   1HB   ALA  22           HB2      ALA  22  69.937   4.702 -11.593
  174   2HB   ALA  22           HB1      ALA  22  68.587   5.598 -12.292
  175   3HB   ALA  22           HB3      ALA  22  70.215   6.278 -12.338
  176    H    ALA  23           HN       ALA  23  68.468   4.007  -9.864
  177    HA   ALA  23           HA       ALA  23  65.670   4.273  -9.755
  178   1HB   ALA  23           HB3      ALA  23  67.677   2.370  -9.186
  179   2HB   ALA  23           HB2      ALA  23  66.683   2.464  -7.731
  180   3HB   ALA  23           HB1      ALA  23  65.940   2.078  -9.284
  181    H    PHE  24           HN       PHE  24  68.089   4.913  -7.228
  182    HA   PHE  24           HA       PHE  24  66.438   5.251  -4.977
  183   1HB   PHE  24           HB2      PHE  24  68.780   5.360  -4.693
  184   2HB   PHE  24           HB1      PHE  24  68.970   6.538  -5.991
  185    HD1  PHE  24           HD1      PHE  24  66.335   6.756  -3.408
  186    HD2  PHE  24           HD2      PHE  24  70.174   8.195  -4.693
  187    HE1  PHE  24           HE1      PHE  24  66.196   8.604  -1.758
  188    HE2  PHE  24           HE2      PHE  24  70.035  10.040  -3.044
  189    HZ   PHE  24           HZ       PHE  24  68.046  10.246  -1.576
  190    H    ASP  25           HN       ASP  25  67.407   7.774  -7.335
  191    HA   ASP  25           HA       ASP  25  65.753   9.848  -6.259
  192   1HB   ASP  25           HB2      ASP  25  67.502   9.315  -8.506
  193   2HB   ASP  25           HB1      ASP  25  66.090  10.230  -9.036
  194    H    ILE  26           HN       ILE  26  64.948   7.034  -8.070
  195    HA   ILE  26           HA       ILE  26  62.505   8.164  -9.269
  196    HB   ILE  26           HB       ILE  26  63.718   5.394  -9.088
  197   1HG1  ILE  26          HG12      ILE  26  63.746   7.636 -11.107
  198   2HG1  ILE  26          HG11      ILE  26  65.105   6.714 -10.468
  199   1HG2  ILE  26          HG21      ILE  26  61.076   5.883  -9.496
  200   2HG2  ILE  26          HG23      ILE  26  61.679   6.040 -11.145
  201   3HG2  ILE  26          HG22      ILE  26  61.939   4.543 -10.249
  202   1HD1  ILE  26          HD13      ILE  26  63.802   4.687 -11.602
  203   2HD1  ILE  26          HD12      ILE  26  63.153   5.982 -12.609
  204   3HD1  ILE  26          HD11      ILE  26  64.895   5.708 -12.538
  205    H    PHE  27           HN       PHE  27  63.442   6.339  -6.413
  206    HA   PHE  27           HA       PHE  27  60.690   5.529  -5.774
  207   1HB   PHE  27           HB2      PHE  27  63.190   5.469  -4.065
  208   2HB   PHE  27           HB1      PHE  27  61.773   4.427  -3.931
  209    HD1  PHE  27           HD2      PHE  27  61.362   4.032  -6.948
  210    HD2  PHE  27           HD1      PHE  27  64.839   3.740  -4.441
  211    HE1  PHE  27           HE2      PHE  27  62.381   2.434  -8.547
  212    HE2  PHE  27           HE1      PHE  27  65.857   2.142  -6.040
  213    HZ   PHE  27           HZ       PHE  27  64.628   1.488  -8.093
  214    H    VAL  28           HN       VAL  28  62.570   8.356  -5.370
  215    HA   VAL  28           HA       VAL  28  61.149   9.199  -2.904
  216    HB   VAL  28           HB       VAL  28  62.804  11.009  -2.979
  217   1HG1  VAL  28          HG12      VAL  28  63.339   8.382  -2.515
  218   2HG1  VAL  28          HG11      VAL  28  64.522   8.739  -3.774
  219   3HG1  VAL  28          HG13      VAL  28  64.514   9.674  -2.277
  220   1HG2  VAL  28          HG23      VAL  28  62.718  11.182  -5.513
  221   2HG2  VAL  28          HG22      VAL  28  64.332  11.281  -4.810
  222   3HG2  VAL  28          HG21      VAL  28  63.790   9.782  -5.562
  223    H    LEU  29           HN       LEU  29  60.229   9.058  -5.975
  224    HA   LEU  29           HA       LEU  29  59.631  11.697  -6.844
  225   1HB   LEU  29           HB2      LEU  29  58.771   8.917  -7.342
  226   2HB   LEU  29           HB1      LEU  29  57.559  10.134  -7.751
  227    HG   LEU  29           HG       LEU  29  59.171   9.552  -9.626
  228   1HD1  LEU  29          HD11      LEU  29  57.944  11.883  -9.030
  229   2HD1  LEU  29          HD13      LEU  29  59.622  12.425  -9.005
  230   3HD1  LEU  29          HD12      LEU  29  58.958  11.680 -10.459
  231   1HD2  LEU  29          HD21      LEU  29  61.133   9.490  -7.926
  232   2HD2  LEU  29          HD23      LEU  29  61.433  10.229  -9.500
  233   3HD2  LEU  29          HD22      LEU  29  61.140  11.247  -8.090
  234    H    GLY  30           HN       GLY  30  58.226   9.764  -4.310
  235   1HA   GLY  30           HA2      GLY  30  55.799  11.449  -4.177
  236   2HA   GLY  30           HA1      GLY  30  56.136  10.042  -3.167
  237    H    ALA  31           HN       ALA  31  58.945  11.224  -2.735
  238    HA   ALA  31           HA       ALA  31  58.298  12.624  -0.266
  239   1HB   ALA  31           HB1      ALA  31  60.286  11.065  -0.920
  240   2HB   ALA  31           HB3      ALA  31  60.998  12.528  -1.607
  241   3HB   ALA  31           HB2      ALA  31  60.616  12.456   0.115
  242    H    GLU  32           HN       GLU  32  59.284  14.804   0.210
  243    HA   GLU  32           HA       GLU  32  58.989  16.614  -2.159
  244   1HB   GLU  32           HB2      GLU  32  58.199  18.236  -0.554
  245   2HB   GLU  32           HB1      GLU  32  57.383  16.714  -0.201
  246   1HG   GLU  32           HG2      GLU  32  58.279  16.629   1.860
  247   2HG   GLU  32           HG1      GLU  32  59.905  16.871   1.223
  248    H    ASP  33           HN       ASP  33  61.147  15.480   0.288
  249    HA   ASP  33           HA       ASP  33  63.087  17.685  -0.296
  250   1HB   ASP  33           HB2      ASP  33  64.157  16.786   1.816
  251   2HB   ASP  33           HB1      ASP  33  62.524  17.413   2.047
  252    H    GLY  34           HN       GLY  34  62.359  14.410  -0.924
  253   1HA   GLY  34           HA2      GLY  34  63.630  13.207  -2.630
  254   2HA   GLY  34           HA1      GLY  34  65.094  14.005  -2.045
  255    H    CYS  35           HN       CYS  35  62.597  11.656  -1.091
  256    HA   CYS  35           HA       CYS  35  64.689  10.088   0.324
  257   1HB   CYS  35           HB2      CYS  35  62.326  11.508   1.509
  258   2HB   CYS  35           HB1      CYS  35  62.824   9.969   2.214
  259    HG   CYS  35           HG       CYS  35  65.326  11.385   2.114
  260    H    ILE  36           HN       ILE  36  63.975   7.851   0.694
  261    HA   ILE  36           HA       ILE  36  61.801   7.041  -1.189
  262    HB   ILE  36           HB       ILE  36  63.678   5.116   0.143
  263   1HG1  ILE  36          HG12      ILE  36  64.478   6.951  -2.143
  264   2HG1  ILE  36          HG11      ILE  36  65.130   7.026  -0.505
  265   1HG2  ILE  36          HG21      ILE  36  62.068   5.353  -2.335
  266   2HG2  ILE  36          HG23      ILE  36  63.626   4.544  -2.512
  267   3HG2  ILE  36          HG22      ILE  36  62.437   3.928  -1.363
  268   1HD1  ILE  36          HD13      ILE  36  65.807   4.587  -0.799
  269   2HD1  ILE  36          HD12      ILE  36  65.420   4.779  -2.508
  270   3HD1  ILE  36          HD11      ILE  36  66.699   5.748  -1.781
  271    H    SER  37           HN       SER  37  60.226   7.763   0.571
  272    HA   SER  37           HA       SER  37  59.929   6.812   3.141
  273   1HB   SER  37           HB2      SER  37  58.300   7.843   1.042
  274   2HB   SER  37           HB1      SER  37  57.433   6.484   1.754
  275    HG   SER  37           HG       SER  37  57.040   8.466   2.853
  276    H    THR  38           HN       THR  38  59.870   4.789   4.042
  277    HA   THR  38           HA       THR  38  60.239   2.364   2.731
  278    HB   THR  38           HB       THR  38  60.392   2.709   5.152
  279    HG1  THR  38           HG1      THR  38  58.540   0.798   4.218
  280   1HG2  THR  38          HG21      THR  38  57.403   3.092   4.913
  281   2HG2  THR  38          HG23      THR  38  58.219   2.802   6.449
  282   3HG2  THR  38          HG22      THR  38  58.590   4.250   5.513
  283    H    LYS  39           HN       LYS  39  57.296   4.231   2.966
  284    HA   LYS  39           HA       LYS  39  55.439   2.090   2.370
  285   1HB   LYS  39           HB2      LYS  39  55.400   4.800   3.088
  286   2HB   LYS  39           HB1      LYS  39  54.657   4.756   1.489
  287   1HG   LYS  39           HG2      LYS  39  53.850   2.782   3.618
  288   2HG   LYS  39           HG1      LYS  39  53.124   4.388   3.552
  289   1HD   LYS  39           HD2      LYS  39  53.253   2.686   1.074
  290   2HD   LYS  39           HD1      LYS  39  51.970   2.435   2.257
  291   1HE   LYS  39           HE2      LYS  39  50.847   4.165   1.319
  292   2HE   LYS  39           HE1      LYS  39  52.153   5.245   1.848
  293   1HZ   LYS  39           HZ2      LYS  39  53.363   4.120  -0.181
  294   2HZ   LYS  39           HZ1      LYS  39  51.770   3.925  -0.739
  295   3HZ   LYS  39           HZ3      LYS  39  52.362   5.477  -0.399
  296    H    GLU  40           HN       GLU  40  57.399   4.286   0.419
  297    HA   GLU  40           HA       GLU  40  56.115   3.293  -2.080
  298   1HB   GLU  40           HB2      GLU  40  58.233   5.419  -1.631
  299   2HB   GLU  40           HB1      GLU  40  57.258   5.190  -3.083
  300   1HG   GLU  40           HG2      GLU  40  55.232   5.477  -1.449
  301   2HG   GLU  40           HG1      GLU  40  56.422   6.239  -0.394
  302    H    LEU  41           HN       LEU  41  57.957   1.617  -0.385
  303    HA   LEU  41           HA       LEU  41  60.266   1.326  -2.271
  304   1HB   LEU  41           HB2      LEU  41  59.802   1.047   0.635
  305   2HB   LEU  41           HB1      LEU  41  60.806  -0.221  -0.072
  306    HG   LEU  41           HG       LEU  41  61.269   2.760  -0.386
  307   1HD1  LEU  41          HD12      LEU  41  61.960   0.926   1.707
  308   2HD1  LEU  41          HD11      LEU  41  63.435   1.384   0.856
  309   3HD1  LEU  41          HD13      LEU  41  62.398   2.628   1.556
  310   1HD2  LEU  41          HD23      LEU  41  62.190   0.455  -1.864
  311   2HD2  LEU  41          HD22      LEU  41  62.545   2.159  -2.146
  312   3HD2  LEU  41          HD21      LEU  41  63.551   1.219  -1.045
  313    H    GLY  42           HN       GLY  42  57.517  -0.338  -0.813
  314   1HA   GLY  42           HA2      GLY  42  58.105  -3.012  -1.414
  315   2HA   GLY  42           HA1      GLY  42  56.472  -2.344  -1.465
  316    H    LYS  43           HN       LYS  43  56.201  -0.837  -3.541
  317    HA   LYS  43           HA       LYS  43  56.307  -2.503  -5.848
  318   1HB   LYS  43           HB2      LYS  43  56.164   0.520  -5.578
  319   2HB   LYS  43           HB1      LYS  43  55.678  -0.401  -7.003
  320   1HG   LYS  43           HG2      LYS  43  53.852  -1.398  -5.883
  321   2HG   LYS  43           HG1      LYS  43  54.493  -0.986  -4.292
  322   1HD   LYS  43           HD2      LYS  43  54.252   1.484  -5.098
  323   2HD   LYS  43           HD1      LYS  43  53.159   0.808  -6.307
  324   1HE   LYS  43           HE2      LYS  43  51.570   0.199  -4.730
  325   2HE   LYS  43           HE1      LYS  43  52.778  -0.010  -3.446
  326   1HZ   LYS  43           HZ1      LYS  43  53.191   2.449  -3.670
  327   2HZ   LYS  43           HZ3      LYS  43  51.776   2.530  -4.601
  328   3HZ   LYS  43           HZ2      LYS  43  51.699   2.020  -2.982
  329    H    VAL  44           HN       VAL  44  58.591  -0.153  -4.545
  330    HA   VAL  44           HA       VAL  44  60.272   0.145  -6.846
  331    HB   VAL  44           HB       VAL  44  60.627   0.369  -3.852
  332   1HG1  VAL  44          HG12      VAL  44  62.799  -0.270  -4.901
  333   2HG1  VAL  44          HG11      VAL  44  62.654   1.118  -5.978
  334   3HG1  VAL  44          HG13      VAL  44  62.821   1.365  -4.240
  335   1HG2  VAL  44          HG23      VAL  44  60.465   2.358  -6.137
  336   2HG2  VAL  44          HG22      VAL  44  59.240   2.076  -4.898
  337   3HG2  VAL  44          HG21      VAL  44  60.789   2.796  -4.459
  338    H    MET  45           HN       MET  45  60.667  -1.955  -3.963
  339    HA   MET  45           HA       MET  45  62.952  -3.376  -4.683
  340   1HB   MET  45           HB2      MET  45  60.457  -3.895  -3.141
  341   2HB   MET  45           HB1      MET  45  61.448  -5.304  -3.525
  342   1HG   MET  45           HG2      MET  45  62.875  -2.898  -2.502
  343   2HG   MET  45           HG1      MET  45  61.893  -3.796  -1.344
  344   1HE   MET  45           HE2      MET  45  64.726  -3.128  -3.048
  345   2HE   MET  45           HE1      MET  45  65.753  -3.886  -1.834
  346   3HE   MET  45           HE3      MET  45  65.656  -4.565  -3.465
  347    H    ARG  46           HN       ARG  46  59.679  -3.721  -5.964
  348    HA   ARG  46           HA       ARG  46  60.145  -6.201  -7.389
  349   1HB   ARG  46           HB2      ARG  46  58.061  -4.261  -6.911
  350   2HB   ARG  46           HB1      ARG  46  58.118  -4.651  -8.631
  351   1HG   ARG  46           HG2      ARG  46  58.186  -7.107  -7.933
  352   2HG   ARG  46           HG1      ARG  46  57.771  -6.559  -6.309
  353   1HD   ARG  46           HD2      ARG  46  55.943  -5.215  -7.937
  354   2HD   ARG  46           HD1      ARG  46  56.041  -6.840  -8.643
  355    HE   ARG  46           HE       ARG  46  55.539  -6.369  -5.726
  356   1HH1  ARG  46          HH21      ARG  46  56.252  -9.143  -6.422
  357   2HH1  ARG  46          HH22      ARG  46  54.714  -9.872  -6.744
  358   1HH2  ARG  46          HH11      ARG  46  53.061  -6.847  -7.118
  359   2HH2  ARG  46          HH12      ARG  46  52.908  -8.573  -7.139
  360    H    MET  47           HN       MET  47  60.265  -2.751  -8.305
  361    HA   MET  47           HA       MET  47  60.746  -3.039 -11.082
  362   1HB   MET  47           HB2      MET  47  61.679  -1.040  -9.001
  363   2HB   MET  47           HB1      MET  47  61.907  -0.796 -10.733
  364   1HG   MET  47           HG2      MET  47  59.484  -0.944 -11.094
  365   2HG   MET  47           HG1      MET  47  59.232  -1.247  -9.375
  366   1HE   MET  47           HE3      MET  47  60.948   0.945 -11.910
  367   2HE   MET  47           HE2      MET  47  61.062   2.548 -11.188
  368   3HE   MET  47           HE1      MET  47  62.087   1.245 -10.591
  369    H    LEU  48           HN       LEU  48  63.134  -2.786  -8.418
  370    HA   LEU  48           HA       LEU  48  65.474  -3.130 -10.006
  371   1HB   LEU  48           HB2      LEU  48  64.808  -3.836  -7.130
  372   2HB   LEU  48           HB1      LEU  48  66.448  -3.783  -7.780
  373    HG   LEU  48           HG       LEU  48  64.522  -1.444  -7.853
  374   1HD1  LEU  48          HD12      LEU  48  66.738  -2.168  -5.921
  375   2HD1  LEU  48          HD11      LEU  48  66.112  -0.526  -6.085
  376   3HD1  LEU  48          HD13      LEU  48  65.048  -1.825  -5.545
  377   1HD2  LEU  48          HD22      LEU  48  66.936  -2.007  -9.229
  378   2HD2  LEU  48          HD21      LEU  48  66.068  -0.473  -9.174
  379   3HD2  LEU  48          HD23      LEU  48  67.332  -0.813  -7.992
  380    H    GLY  49           HN       GLY  49  63.206  -5.475  -8.649
  381   1HA   GLY  49           HA2      GLY  49  63.107  -7.607 -10.043
  382   2HA   GLY  49           HA1      GLY  49  64.859  -7.662  -9.849
  383    H    GLN  50           HN       GLN  50  63.008  -6.531  -7.148
  384    HA   GLN  50           HA       GLN  50  63.568  -9.122  -5.747
  385   1HB   GLN  50           HB2      GLN  50  63.441  -6.222  -4.899
  386   2HB   GLN  50           HB1      GLN  50  63.417  -7.531  -3.718
  387   1HG   GLN  50           HG2      GLN  50  65.503  -8.173  -5.490
  388   2HG   GLN  50           HG1      GLN  50  65.668  -6.444  -5.182
  389   1HE2  GLN  50          HE22      GLN  50  67.134  -7.066  -2.051
  390   2HE2  GLN  50          HE21      GLN  50  67.059  -6.102  -3.446
  391    H    ASN  51           HN       ASN  51  61.944  -9.413  -3.819
  392    HA   ASN  51           HA       ASN  51  59.227  -8.376  -4.411
  393   1HB   ASN  51           HB2      ASN  51  60.114 -11.268  -4.579
  394   2HB   ASN  51           HB1      ASN  51  58.420 -10.795  -4.446
  395   1HD2  ASN  51          HD22      ASN  51  60.037 -10.794  -8.062
  396   2HD2  ASN  51          HD21      ASN  51  60.621 -11.678  -6.736
  397    HA   PRO  52           HA       PRO  52  60.269  -9.266   0.064
  398   1HB   PRO  52           HB2      PRO  52  60.131  -6.689   0.969
  399   2HB   PRO  52           HB1      PRO  52  61.628  -7.414   0.351
  400   1HG   PRO  52           HG2      PRO  52  59.739  -5.548  -0.981
  401   2HG   PRO  52           HG1      PRO  52  61.503  -5.637  -1.085
  402   1HD   PRO  52           HD2      PRO  52  59.794  -6.604  -3.004
  403   2HD   PRO  52           HD1      PRO  52  61.451  -7.195  -2.752
  404    H    THR  53           HN       THR  53  58.742  -8.832   1.923
  405    HA   THR  53           HA       THR  53  55.954  -8.669   0.936
  406    HB   THR  53           HB       THR  53  55.943  -9.096   3.680
  407    HG1  THR  53           HG1      THR  53  57.675 -10.732   3.783
  408   1HG2  THR  53          HG21      THR  53  54.842 -10.375   1.767
  409   2HG2  THR  53          HG23      THR  53  56.355 -11.269   1.620
  410   3HG2  THR  53          HG22      THR  53  55.421 -11.356   3.113
  411    HA   PRO  54           HA       PRO  54  55.045  -4.714   2.596
  412   1HB   PRO  54           HB2      PRO  54  52.794  -5.088   4.109
  413   2HB   PRO  54           HB1      PRO  54  52.789  -5.145   2.335
  414   1HG   PRO  54           HG2      PRO  54  52.792  -7.381   4.298
  415   2HG   PRO  54           HG1      PRO  54  51.937  -7.234   2.755
  416   1HD   PRO  54           HD2      PRO  54  54.219  -8.693   3.077
  417   2HD   PRO  54           HD1      PRO  54  53.741  -7.944   1.537
  418    H    GLU  55           HN       GLU  55  55.302  -7.319   4.949
  419    HA   GLU  55           HA       GLU  55  55.594  -5.502   7.245
  420   1HB   GLU  55           HB2      GLU  55  54.543  -7.726   7.419
  421   2HB   GLU  55           HB1      GLU  55  56.039  -8.483   6.871
  422   1HG   GLU  55           HG2      GLU  55  56.633  -6.718   9.060
  423   2HG   GLU  55           HG1      GLU  55  55.320  -7.797   9.532
  424    H    GLU  56           HN       GLU  56  57.709  -7.578   5.258
  425    HA   GLU  56           HA       GLU  56  60.136  -7.168   6.699
  426   1HB   GLU  56           HB2      GLU  56  59.371  -7.846   3.863
  427   2HB   GLU  56           HB1      GLU  56  61.068  -7.691   4.317
  428   1HG   GLU  56           HG2      GLU  56  59.045  -9.550   5.606
  429   2HG   GLU  56           HG1      GLU  56  60.351 -10.031   4.522
  430    H    LEU  57           HN       LEU  57  58.392  -5.097   4.479
  431    HA   LEU  57           HA       LEU  57  60.471  -3.404   3.556
  432   1HB   LEU  57           HB2      LEU  57  57.549  -3.391   3.891
  433   2HB   LEU  57           HB1      LEU  57  58.263  -1.777   3.924
  434    HG   LEU  57           HG       LEU  57  59.097  -3.737   1.802
  435   1HD1  LEU  57          HD12      LEU  57  56.521  -3.465   1.977
  436   2HD1  LEU  57          HD11      LEU  57  56.802  -1.817   1.417
  437   3HD1  LEU  57          HD13      LEU  57  57.276  -3.184   0.407
  438   1HD2  LEU  57          HD22      LEU  57  60.104  -1.363   2.377
  439   2HD2  LEU  57          HD21      LEU  57  59.862  -1.833   0.694
  440   3HD2  LEU  57          HD23      LEU  57  58.696  -0.776   1.493
  441    H    GLN  58           HN       GLN  58  58.174  -2.410   6.109
  442    HA   GLN  58           HA       GLN  58  59.862  -0.391   7.204
  443   1HB   GLN  58           HB2      GLN  58  57.451  -0.483   7.537
  444   2HB   GLN  58           HB1      GLN  58  57.592  -2.032   8.369
  445   1HG   GLN  58           HG2      GLN  58  57.351  -0.176   9.983
  446   2HG   GLN  58           HG1      GLN  58  58.922  -0.963  10.148
  447   1HE2  GLN  58          HE22      GLN  58  60.287   2.307   9.961
  448   2HE2  GLN  58          HE21      GLN  58  60.006   0.956  10.950
  449    H    GLU  59           HN       GLU  59  60.087  -3.800   7.451
  450    HA   GLU  59           HA       GLU  59  61.275  -3.918  10.116
  451   1HB   GLU  59           HB2      GLU  59  60.002  -5.711   8.761
  452   2HB   GLU  59           HB1      GLU  59  61.514  -5.940   7.883
  453   1HG   GLU  59           HG2      GLU  59  62.543  -6.946   9.650
  454   2HG   GLU  59           HG1      GLU  59  61.767  -5.890  10.830
  455    H    MET  60           HN       MET  60  62.635  -4.541   6.849
  456    HA   MET  60           HA       MET  60  65.368  -4.561   7.668
  457   1HB   MET  60           HB2      MET  60  65.774  -4.331   5.249
  458   2HB   MET  60           HB1      MET  60  64.437  -5.445   5.540
  459   1HG   MET  60           HG2      MET  60  62.859  -3.498   5.217
  460   2HG   MET  60           HG1      MET  60  64.248  -2.540   4.704
  461   1HE   MET  60           HE3      MET  60  66.031  -3.691   3.289
  462   2HE   MET  60           HE2      MET  60  65.775  -5.433   3.241
  463   3HE   MET  60           HE1      MET  60  65.673  -4.493   1.754
  464    H    ILE  61           HN       ILE  61  63.164  -1.935   7.349
  465    HA   ILE  61           HA       ILE  61  65.310   0.070   6.919
  466    HB   ILE  61           HB       ILE  61  62.293   0.084   7.083
  467   1HG1  ILE  61          HG12      ILE  61  64.135   1.054   4.886
  468   2HG1  ILE  61          HG11      ILE  61  63.594  -0.621   4.989
  469   1HG2  ILE  61          HG23      ILE  61  64.243   2.364   7.226
  470   2HG2  ILE  61          HG22      ILE  61  62.714   2.587   6.373
  471   3HG2  ILE  61          HG21      ILE  61  62.716   2.149   8.081
  472   1HD1  ILE  61          HD13      ILE  61  61.264   0.893   5.333
  473   2HD1  ILE  61          HD12      ILE  61  62.147   1.718   4.049
  474   3HD1  ILE  61          HD11      ILE  61  61.736   0.011   3.880
  475    H    ASP  62           HN       ASP  62  62.879  -0.816   9.389
  476    HA   ASP  62           HA       ASP  62  63.543   1.199  11.300
  477   1HB   ASP  62           HB2      ASP  62  61.531  -0.298  11.257
  478   2HB   ASP  62           HB1      ASP  62  62.567  -1.642  11.741
  479    H    GLU  63           HN       GLU  63  65.307  -1.562  10.252
  480    HA   GLU  63           HA       GLU  63  66.876  -1.767  12.763
  481   1HB   GLU  63           HB2      GLU  63  67.057  -3.247  10.118
  482   2HB   GLU  63           HB1      GLU  63  67.828  -3.722  11.633
  483   1HG   GLU  63           HG2      GLU  63  64.839  -3.340  11.442
  484   2HG   GLU  63           HG1      GLU  63  65.599  -4.878  11.033
  485    H    VAL  64           HN       VAL  64  67.056  -0.298   9.609
  486    HA   VAL  64           HA       VAL  64  69.961   0.297  10.057
  487    HB   VAL  64           HB       VAL  64  69.224  -1.022   8.024
  488   1HG1  VAL  64          HG12      VAL  64  67.502   1.346   7.759
  489   2HG1  VAL  64          HG11      VAL  64  68.384   0.948   6.285
  490   3HG1  VAL  64          HG13      VAL  64  67.335  -0.253   7.038
  491   1HG2  VAL  64          HG21      VAL  64  70.533   1.684   7.636
  492   2HG2  VAL  64          HG23      VAL  64  71.340   0.153   7.981
  493   3HG2  VAL  64          HG22      VAL  64  70.547   0.401   6.426
  494    H    ASP  65           HN       ASP  65  66.831   1.648  10.052
  495    HA   ASP  65           HA       ASP  65  67.675   4.365   9.268
  496   1HB   ASP  65           HB2      ASP  65  65.420   3.148   8.851
  497   2HB   ASP  65           HB1      ASP  65  65.068   3.523  10.538
  498    H    GLU  66           HN       GLU  66  69.336   4.449  11.076
  499    HA   GLU  66           HA       GLU  66  68.508   4.433  13.848
  500   1HB   GLU  66           HB2      GLU  66  70.773   5.364  14.171
  501   2HB   GLU  66           HB1      GLU  66  70.810   4.039  13.009
  502   1HG   GLU  66           HG2      GLU  66  70.774   5.641  11.148
  503   2HG   GLU  66           HG1      GLU  66  70.686   6.981  12.291
  504    H    ASP  67           HN       ASP  67  68.109   6.717  11.318
  505    HA   ASP  67           HA       ASP  67  68.085   9.093  13.060
  506   1HB   ASP  67           HB2      ASP  67  67.607  10.234  10.969
  507   2HB   ASP  67           HB1      ASP  67  68.844   9.016  10.657
  508    H    GLY  68           HN       GLY  68  65.945   6.571  12.500
  509   1HA   GLY  68           HA2      GLY  68  63.610   6.343  12.711
  510   2HA   GLY  68           HA1      GLY  68  63.820   7.521  14.007
  511    H    SER  69           HN       SER  69  64.558   8.265  10.651
  512    HA   SER  69           HA       SER  69  62.789  10.578  10.703
  513   1HB   SER  69           HB2      SER  69  63.748  10.982   8.539
  514   2HB   SER  69           HB1      SER  69  65.030  10.270   9.513
  515    HG   SER  69           HG       SER  69  64.209   8.202   8.593
  516    H    GLY  70           HN       GLY  70  62.525   7.258   9.643
  517   1HA   GLY  70           HA2      GLY  70  60.419   6.186   9.182
  518   2HA   GLY  70           HA1      GLY  70  59.711   7.770   8.866
  519    H    THR  71           HN       THR  71  62.468   8.072   7.269
  520    HA   THR  71           HA       THR  71  61.439   6.742   4.783
  521    HB   THR  71           HB       THR  71  61.976   8.759   3.597
  522    HG1  THR  71           HG1      THR  71  63.022  10.476   4.720
  523   1HG2  THR  71          HG22      THR  71  60.002   8.686   5.392
  524   2HG2  THR  71          HG21      THR  71  60.951   9.982   6.119
  525   3HG2  THR  71          HG23      THR  71  60.354  10.146   4.468
  526    H    VAL  72           HN       VAL  72  63.141   6.189   3.223
  527    HA   VAL  72           HA       VAL  72  65.768   5.676   4.555
  528    HB   VAL  72           HB       VAL  72  64.701   4.420   2.020
  529   1HG1  VAL  72          HG13      VAL  72  67.106   4.133   2.867
  530   2HG1  VAL  72          HG12      VAL  72  66.407   3.221   4.205
  531   3HG1  VAL  72          HG11      VAL  72  66.201   2.653   2.548
  532   1HG2  VAL  72          HG22      VAL  72  62.967   4.232   3.803
  533   2HG2  VAL  72          HG21      VAL  72  63.672   2.667   3.398
  534   3HG2  VAL  72          HG23      VAL  72  64.170   3.505   4.869
  535    H    ASP  73           HN       ASP  73  67.608   6.598   3.687
  536    HA   ASP  73           HA       ASP  73  67.295   8.136   1.127
  537   1HB   ASP  73           HB2      ASP  73  68.914   9.697   2.129
  538   2HB   ASP  73           HB1      ASP  73  67.540   9.470   3.213
  539    H    PHE  74           HN       PHE  74  69.666   8.560   0.208
  540    HA   PHE  74           HA       PHE  74  70.750   6.145  -0.740
  541   1HB   PHE  74           HB2      PHE  74  71.071   8.704  -1.334
  542   2HB   PHE  74           HB1      PHE  74  72.478   8.558  -0.280
  543    HD1  PHE  74           HD1      PHE  74  70.818   6.439  -2.902
  544    HD2  PHE  74           HD2      PHE  74  74.469   8.128  -1.401
  545    HE1  PHE  74           HE1      PHE  74  72.077   5.345  -4.737
  546    HE2  PHE  74           HE2      PHE  74  75.729   7.034  -3.236
  547    HZ   PHE  74           HZ       PHE  74  74.533   5.643  -4.903
  548    H    ASP  75           HN       ASP  75  71.295   7.753   2.323
  549    HA   ASP  75           HA       ASP  75  73.783   6.384   2.971
  550   1HB   ASP  75           HB2      ASP  75  71.684   7.757   4.685
  551   2HB   ASP  75           HB1      ASP  75  73.322   7.357   5.202
  552    H    GLU  76           HN       GLU  76  70.406   6.002   4.123
  553    HA   GLU  76           HA       GLU  76  71.060   3.431   5.404
  554   1HB   GLU  76           HB2      GLU  76  68.501   5.018   5.013
  555   2HB   GLU  76           HB1      GLU  76  68.635   3.574   6.018
  556   1HG   GLU  76           HG2      GLU  76  69.926   4.643   7.624
  557   2HG   GLU  76           HG1      GLU  76  70.555   5.827   6.478
  558    H    PHE  77           HN       PHE  77  69.481   4.598   2.473
  559    HA   PHE  77           HA       PHE  77  68.041   2.315   1.665
  560   1HB   PHE  77           HB2      PHE  77  68.044   4.539   0.574
  561   2HB   PHE  77           HB1      PHE  77  69.692   4.255   0.012
  562    HD1  PHE  77           HD2      PHE  77  67.025   1.685   0.226
  563    HD2  PHE  77           HD1      PHE  77  69.297   4.258  -2.357
  564    HE1  PHE  77           HE2      PHE  77  66.144   0.476  -1.752
  565    HE2  PHE  77           HE1      PHE  77  68.416   3.049  -4.335
  566    HZ   PHE  77           HZ       PHE  77  66.839   1.159  -4.033
  567    H    LEU  78           HN       LEU  78  71.508   3.063   1.185
  568    HA   LEU  78           HA       LEU  78  72.049   0.609  -0.279
  569   1HB   LEU  78           HB2      LEU  78  73.545   2.905   0.910
  570   2HB   LEU  78           HB1      LEU  78  74.463   1.444   0.541
  571    HG   LEU  78           HG       LEU  78  72.737   3.017  -1.394
  572   1HD1  LEU  78          HD13      LEU  78  75.321   3.508  -0.582
  573   2HD1  LEU  78          HD12      LEU  78  75.569   2.485  -1.997
  574   3HD1  LEU  78          HD11      LEU  78  74.650   3.983  -2.143
  575   1HD2  LEU  78          HD23      LEU  78  73.614   0.250  -1.389
  576   2HD2  LEU  78          HD22      LEU  78  72.568   1.081  -2.541
  577   3HD2  LEU  78          HD21      LEU  78  74.319   1.123  -2.750
  578    H    VAL  79           HN       VAL  79  72.854   1.692   3.054
  579    HA   VAL  79           HA       VAL  79  74.091  -0.616   4.034
  580    HB   VAL  79           HB       VAL  79  72.020   1.127   5.425
  581   1HG1  VAL  79          HG11      VAL  79  72.808  -1.004   6.583
  582   2HG1  VAL  79          HG13      VAL  79  74.423  -0.294   6.601
  583   3HG1  VAL  79          HG12      VAL  79  73.104   0.494   7.467
  584   1HG2  VAL  79          HG22      VAL  79  74.329   1.968   4.160
  585   2HG2  VAL  79          HG21      VAL  79  73.555   2.805   5.506
  586   3HG2  VAL  79          HG23      VAL  79  74.886   1.689   5.810
  587    H    MET  80           HN       MET  80  70.700  -0.096   3.280
  588    HA   MET  80           HA       MET  80  69.673  -2.420   4.683
  589   1HB   MET  80           HB2      MET  80  68.763  -0.211   3.078
  590   2HB   MET  80           HB1      MET  80  68.054  -1.701   2.453
  591   1HG   MET  80           HG2      MET  80  66.913  -2.149   4.420
  592   2HG   MET  80           HG1      MET  80  68.070  -1.265   5.414
  593   1HE   MET  80           HE2      MET  80  65.934  -0.776   2.291
  594   2HE   MET  80           HE1      MET  80  64.718  -1.160   3.506
  595   3HE   MET  80           HE3      MET  80  64.749   0.443   2.757
  596    H    MET  81           HN       MET  81  70.399  -1.755   1.238
  597    HA   MET  81           HA       MET  81  69.809  -4.321   0.195
  598   1HB   MET  81           HB2      MET  81  71.924  -2.279  -0.573
  599   2HB   MET  81           HB1      MET  81  71.353  -3.579  -1.621
  600   1HG   MET  81           HG2      MET  81  69.656  -1.342  -0.475
  601   2HG   MET  81           HG1      MET  81  70.176  -1.492  -2.152
  602   1HE   MET  81           HE1      MET  81  67.992  -1.206  -3.015
  603   2HE   MET  81           HE3      MET  81  66.589  -2.268  -2.845
  604   3HE   MET  81           HE2      MET  81  67.032  -1.175  -1.538
  605    H    VAL  82           HN       VAL  82  73.019  -3.038   1.162
  606    HA   VAL  82           HA       VAL  82  74.549  -5.369   0.864
  607    HB   VAL  82           HB       VAL  82  75.428  -3.143   1.405
  608   1HG1  VAL  82          HG11      VAL  82  73.993  -3.610   4.032
  609   2HG1  VAL  82          HG13      VAL  82  75.202  -2.347   3.797
  610   3HG1  VAL  82          HG12      VAL  82  73.701  -2.315   2.871
  611   1HG2  VAL  82          HG22      VAL  82  76.121  -5.569   2.862
  612   2HG2  VAL  82          HG21      VAL  82  77.183  -4.353   2.151
  613   3HG2  VAL  82          HG23      VAL  82  76.541  -4.120   3.777
  614    H    ARG  83           HN       ARG  83  72.323  -4.473   3.462
  615    HA   ARG  83           HA       ARG  83  73.072  -6.641   5.251
  616   1HB   ARG  83           HB2      ARG  83  70.966  -4.535   4.996
  617   2HB   ARG  83           HB1      ARG  83  70.628  -5.893   6.071
  618   1HG   ARG  83           HG2      ARG  83  72.695  -5.482   7.302
  619   2HG   ARG  83           HG1      ARG  83  73.129  -4.187   6.188
  620   1HD   ARG  83           HD2      ARG  83  71.774  -2.693   7.246
  621   2HD   ARG  83           HD1      ARG  83  70.443  -3.863   7.351
  622    HE   ARG  83           HE       ARG  83  72.134  -4.920   9.162
  623   1HH1  ARG  83          HH21      ARG  83  73.597  -2.285   9.278
  624   2HH1  ARG  83          HH22      ARG  83  72.792  -1.492  10.591
  625   1HH2  ARG  83          HH11      ARG  83  70.061  -3.631  10.554
  626   2HH2  ARG  83          HH12      ARG  83  70.791  -2.258  11.317
  627    H    CYS  84           HN       CYS  84  70.987  -6.324   2.486
  628    HA   CYS  84           HA       CYS  84  69.495  -8.811   3.121
  629   1HB   CYS  84           HB2      CYS  84  68.824  -6.443   1.962
  630   2HB   CYS  84           HB1      CYS  84  69.188  -7.402   0.528
  631    HG   CYS  84           HG       CYS  84  66.645  -7.623   1.940
  632    H    MET  85           HN       MET  85  72.152  -7.697   1.129
  633    HA   MET  85           HA       MET  85  72.136 -10.270  -0.396
  634   1HB   MET  85           HB2      MET  85  73.543  -9.062  -1.960
  635   2HB   MET  85           HB1      MET  85  72.184  -8.019  -1.541
  636   1HG   MET  85           HG2      MET  85  73.544  -6.790   0.050
  637   2HG   MET  85           HG1      MET  85  74.890  -7.905  -0.181
  638   1HE   MET  85           HE2      MET  85  73.121  -4.806  -1.160
  639   2HE   MET  85           HE1      MET  85  73.426  -4.534  -2.874
  640   3HE   MET  85           HE3      MET  85  72.334  -5.828  -2.360
  641    H    LYS  86           HN       LYS  86  73.112  -9.788   2.480
  642    HA   LYS  86           HA       LYS  86  75.960 -10.647   2.074
  643   1HB   LYS  86           HB2      LYS  86  74.598  -8.729   3.811
  644   2HB   LYS  86           HB1      LYS  86  75.613  -9.846   4.724
  645   1HG   LYS  86           HG2      LYS  86  77.059  -9.073   2.387
  646   2HG   LYS  86           HG1      LYS  86  76.434  -7.606   3.144
  647   1HD   LYS  86           HD2      LYS  86  78.453  -7.918   4.282
  648   2HD   LYS  86           HD1      LYS  86  77.299  -8.700   5.362
  649   1HE   LYS  86           HE2      LYS  86  77.829 -10.862   3.991
  650   2HE   LYS  86           HE1      LYS  86  79.283  -9.979   3.487
  651   1HZ   LYS  86           HZ2      LYS  86  79.247  -9.400   6.073
  652   2HZ   LYS  86           HZ1      LYS  86  78.527 -10.939   6.130
  653   3HZ   LYS  86           HZ3      LYS  86  80.068 -10.750   5.447
  654    H    ASP  87           HN       ASP  87  76.086 -12.846   2.343
  655    HA   ASP  87           HA       ASP  87  75.185 -14.101   4.808
  656   1HB   ASP  87           HB2      ASP  87  73.457 -15.513   3.766
  657   2HB   ASP  87           HB1      ASP  87  73.061 -13.808   3.542
  658    H    ASP  88           HN       ASP  88  77.687 -14.268   4.112
  659    HA   ASP  88           HA       ASP  88  78.140 -16.588   2.302
  660   1HB   ASP  88           HB2      ASP  88  79.397 -14.177   2.671
  661   2HB   ASP  88           HB1      ASP  88  80.402 -15.244   3.649
  662    H    SER  89           HN       SER  89  79.607 -15.572   5.411
  663    HA   SER  89           HA       SER  89  80.322 -16.899   7.238
  664   1HB   SER  89           HB2      SER  89  77.742 -16.882   7.207
  665   2HB   SER  89           HB1      SER  89  77.858 -18.510   6.546
  666    HG   SER  89           HG       SER  89  78.987 -17.578   8.983
   
  No H/Q in entry =         666
  Start of MODEL   25
    1   1H    MET   1           HT1      MET   1  82.403   0.321  17.852
    2   2H    MET   1           HT3      MET   1  82.479  -1.106  18.767
    3   3H    MET   1           HT2      MET   1  82.713  -1.164  17.085
    4    HA   MET   1           HA       MET   1  80.536  -1.875  17.232
    5   1HB   MET   1           HB2      MET   1  80.886  -1.029  19.794
    6   2HB   MET   1           HB1      MET   1  79.727   0.172  19.224
    7   1HG   MET   1           HG2      MET   1  78.122  -1.366  19.618
    8   2HG   MET   1           HG1      MET   1  78.746  -2.232  18.215
    9   1HE   MET   1           HE2      MET   1  77.149  -3.428  20.432
   10   2HE   MET   1           HE1      MET   1  77.979  -4.373  21.665
   11   3HE   MET   1           HE3      MET   1  77.822  -2.620  21.845
   12    H    ASP   2           HN       ASP   2  81.242  -0.397  15.209
   13    HA   ASP   2           HA       ASP   2  79.004   1.168  14.439
   14   1HB   ASP   2           HB2      ASP   2  80.972   2.456  16.168
   15   2HB   ASP   2           HB1      ASP   2  80.769   3.326  14.647
   16    H    ASP   3           HN       ASP   3  79.446   2.371  12.370
   17    HA   ASP   3           HA       ASP   3  80.424   2.456  10.220
   18   1HB   ASP   3           HB2      ASP   3  82.399   2.858  12.239
   19   2HB   ASP   3           HB1      ASP   3  83.133   1.870  10.976
   20    H    ILE   4           HN       ILE   4  79.871  -0.250  11.775
   21    HA   ILE   4           HA       ILE   4  81.678  -2.165  10.523
   22    HB   ILE   4           HB       ILE   4  78.936  -2.557  11.764
   23   1HG1  ILE   4          HG12      ILE   4  81.671  -2.378  13.069
   24   2HG1  ILE   4          HG11      ILE   4  80.332  -1.251  13.289
   25   1HG2  ILE   4          HG23      ILE   4  80.922  -4.329  10.673
   26   2HG2  ILE   4          HG22      ILE   4  80.785  -4.611  12.409
   27   3HG2  ILE   4          HG21      ILE   4  79.358  -4.732  11.380
   28   1HD1  ILE   4          HD12      ILE   4  79.716  -4.106  13.809
   29   2HD1  ILE   4          HD11      ILE   4  80.801  -3.329  14.963
   30   3HD1  ILE   4          HD13      ILE   4  79.192  -2.665  14.679
   31    H    TYR   5           HN       TYR   5  78.207  -1.387  10.052
   32    HA   TYR   5           HA       TYR   5  78.015  -2.976   7.620
   33   1HB   TYR   5           HB2      TYR   5  76.319  -1.077   9.208
   34   2HB   TYR   5           HB1      TYR   5  75.806  -1.510   7.576
   35    HD1  TYR   5           HD1      TYR   5  75.226  -3.823   7.003
   36    HD2  TYR   5           HD2      TYR   5  76.394  -2.737  10.992
   37    HE1  TYR   5           HE1      TYR   5  74.363  -5.990   7.846
   38    HE2  TYR   5           HE2      TYR   5  75.529  -4.904  11.835
   39    HH   TYR   5           HH       TYR   5  74.331  -7.390   9.616
   40    H    LYS   6           HN       LYS   6  78.357   0.494   8.362
   41    HA   LYS   6           HA       LYS   6  77.997   1.632   5.828
   42   1HB   LYS   6           HB2      LYS   6  79.211   2.256   8.362
   43   2HB   LYS   6           HB1      LYS   6  80.258   2.843   7.069
   44   1HG   LYS   6           HG2      LYS   6  78.835   4.521   6.594
   45   2HG   LYS   6           HG1      LYS   6  77.486   3.395   6.445
   46   1HD   LYS   6           HD2      LYS   6  76.703   3.912   8.499
   47   2HD   LYS   6           HD1      LYS   6  78.306   3.771   9.224
   48   1HE   LYS   6           HE2      LYS   6  78.870   6.028   8.662
   49   2HE   LYS   6           HE1      LYS   6  77.477   6.177   7.573
   50   1HZ   LYS   6           HZ2      LYS   6  76.069   5.626   9.564
   51   2HZ   LYS   6           HZ1      LYS   6  77.451   5.872  10.522
   52   3HZ   LYS   6           HZ3      LYS   6  76.817   7.151   9.606
   53    H    ALA   7           HN       ALA   7  80.797  -0.132   7.097
   54    HA   ALA   7           HA       ALA   7  82.551   0.435   4.858
   55   1HB   ALA   7           HB3      ALA   7  82.458  -1.652   7.056
   56   2HB   ALA   7           HB2      ALA   7  83.793  -1.532   5.910
   57   3HB   ALA   7           HB1      ALA   7  83.448  -0.193   7.004
   58    H    ALA   8           HN       ALA   8  79.883  -1.693   5.336
   59    HA   ALA   8           HA       ALA   8  80.688  -3.741   3.416
   60   1HB   ALA   8           HB2      ALA   8  79.122  -4.019   5.367
   61   2HB   ALA   8           HB1      ALA   8  77.958  -3.001   4.519
   62   3HB   ALA   8           HB3      ALA   8  78.430  -4.558   3.837
   63    H    VAL   9           HN       VAL   9  78.672  -0.814   3.353
   64    HA   VAL   9           HA       VAL   9  77.682  -1.223   0.656
   65    HB   VAL   9           HB       VAL   9  77.929   1.225   2.434
   66   1HG1  VAL   9          HG12      VAL   9  76.380   0.706  -0.116
   67   2HG1  VAL   9          HG11      VAL   9  76.011   2.037   0.981
   68   3HG1  VAL   9          HG13      VAL   9  77.578   1.969   0.175
   69   1HG2  VAL   9          HG23      VAL   9  76.436  -1.076   2.812
   70   2HG2  VAL   9          HG22      VAL   9  76.062   0.502   3.504
   71   3HG2  VAL   9          HG21      VAL   9  75.298  -0.004   1.998
   72    H    GLU  10           HN       GLU  10  80.623   0.059   2.011
   73    HA   GLU  10           HA       GLU  10  81.374   1.599  -0.374
   74   1HB   GLU  10           HB2      GLU  10  82.249   1.146   2.367
   75   2HB   GLU  10           HB1      GLU  10  83.612   1.123   1.249
   76   1HG   GLU  10           HG2      GLU  10  83.115   3.415   2.093
   77   2HG   GLU  10           HG1      GLU  10  82.955   3.292   0.340
   78    H    GLN  11           HN       GLN  11  81.318  -1.689   0.385
   79    HA   GLN  11           HA       GLN  11  83.823  -2.468  -0.913
   80   1HB   GLN  11           HB2      GLN  11  81.637  -3.629   0.611
   81   2HB   GLN  11           HB1      GLN  11  82.051  -4.647  -0.769
   82   1HG   GLN  11           HG2      GLN  11  84.061  -5.223   0.110
   83   2HG   GLN  11           HG1      GLN  11  84.392  -3.578   0.656
   84   1HE2  GLN  11          HE22      GLN  11  83.372  -4.223   3.966
   85   2HE2  GLN  11          HE21      GLN  11  84.086  -3.140   2.872
   86    H    LEU  12           HN       LEU  12  80.609  -1.704  -1.953
   87    HA   LEU  12           HA       LEU  12  80.430  -3.315  -4.316
   88   1HB   LEU  12           HB2      LEU  12  79.319  -0.562  -3.668
   89   2HB   LEU  12           HB1      LEU  12  78.709  -1.642  -4.923
   90    HG   LEU  12           HG       LEU  12  78.880  -2.455  -2.014
   91   1HD1  LEU  12          HD12      LEU  12  77.311  -0.413  -2.792
   92   2HD1  LEU  12          HD11      LEU  12  76.267  -1.755  -3.263
   93   3HD1  LEU  12          HD13      LEU  12  76.792  -1.591  -1.587
   94   1HD2  LEU  12          HD23      LEU  12  78.268  -3.790  -4.473
   95   2HD2  LEU  12          HD22      LEU  12  78.238  -4.451  -2.838
   96   3HD2  LEU  12          HD21      LEU  12  76.792  -3.701  -3.513
   97    H    THR  13           HN       THR  13  80.510  -2.306  -6.581
   98    HA   THR  13           HA       THR  13  83.100  -0.897  -6.901
   99    HB   THR  13           HB       THR  13  82.590  -1.488  -9.338
  100    HG1  THR  13           HG1      THR  13  80.849  -2.775  -9.705
  101   1HG2  THR  13          HG23      THR  13  82.840  -3.490  -7.112
  102   2HG2  THR  13          HG22      THR  13  82.737  -4.042  -8.784
  103   3HG2  THR  13          HG21      THR  13  84.052  -2.978  -8.286
  104    H    GLU  14           HN       GLU  14  83.260   1.061  -8.162
  105    HA   GLU  14           HA       GLU  14  81.409   3.106  -7.660
  106   1HB   GLU  14           HB2      GLU  14  83.779   2.618  -9.225
  107   2HB   GLU  14           HB1      GLU  14  82.657   3.604 -10.164
  108   1HG   GLU  14           HG2      GLU  14  83.280   5.393  -8.950
  109   2HG   GLU  14           HG1      GLU  14  82.588   4.621  -7.523
  110    H    GLU  15           HN       GLU  15  81.754   1.295 -10.746
  111    HA   GLU  15           HA       GLU  15  79.566   2.396 -12.127
  112   1HB   GLU  15           HB2      GLU  15  79.686   0.328 -13.435
  113   2HB   GLU  15           HB1      GLU  15  81.317   0.831 -12.991
  114   1HG   GLU  15           HG2      GLU  15  80.962  -0.700 -10.908
  115   2HG   GLU  15           HG1      GLU  15  79.668  -1.420 -11.865
  116    H    GLN  16           HN       GLN  16  79.610   0.029  -9.526
  117    HA   GLN  16           HA       GLN  16  76.834  -0.814  -9.876
  118   1HB   GLN  16           HB2      GLN  16  78.500  -2.280  -8.883
  119   2HB   GLN  16           HB1      GLN  16  78.884  -1.075  -7.655
  120   1HG   GLN  16           HG2      GLN  16  77.402  -2.287  -6.403
  121   2HG   GLN  16           HG1      GLN  16  76.214  -1.301  -7.257
  122   1HE2  GLN  16          HE22      GLN  16  76.610  -5.266  -8.213
  123   2HE2  GLN  16          HE21      GLN  16  77.787  -4.506  -7.252
  124    H    LYS  17           HN       LYS  17  78.524   1.118  -7.363
  125    HA   LYS  17           HA       LYS  17  76.201   1.980  -5.972
  126   1HB   LYS  17           HB2      LYS  17  79.052   2.630  -6.199
  127   2HB   LYS  17           HB1      LYS  17  78.069   4.031  -5.773
  128   1HG   LYS  17           HG2      LYS  17  77.698   3.246  -3.689
  129   2HG   LYS  17           HG1      LYS  17  77.256   1.650  -4.298
  130   1HD   LYS  17           HD2      LYS  17  79.201   1.206  -3.057
  131   2HD   LYS  17           HD1      LYS  17  79.814   1.357  -4.704
  132   1HE   LYS  17           HE2      LYS  17  80.003   3.939  -3.996
  133   2HE   LYS  17           HE1      LYS  17  80.157   3.208  -2.385
  134   1HZ   LYS  17           HZ3      LYS  17  81.836   1.702  -3.280
  135   2HZ   LYS  17           HZ2      LYS  17  81.716   2.450  -4.801
  136   3HZ   LYS  17           HZ1      LYS  17  82.313   3.319  -3.468
  137    H    ASN  18           HN       ASN  18  77.696   3.152  -8.941
  138    HA   ASN  18           HA       ASN  18  76.362   5.698  -9.089
  139   1HB   ASN  18           HB2      ASN  18  78.070   3.967 -10.671
  140   2HB   ASN  18           HB1      ASN  18  76.824   4.694 -11.686
  141   1HD2  ASN  18          HD22      ASN  18  79.440   7.240 -11.714
  142   2HD2  ASN  18          HD21      ASN  18  79.080   5.751 -12.447
  143    H    GLU  19           HN       GLU  19  75.333   2.423  -9.732
  144    HA   GLU  19           HA       GLU  19  73.081   3.087 -11.446
  145   1HB   GLU  19           HB2      GLU  19  73.974   0.894 -11.579
  146   2HB   GLU  19           HB1      GLU  19  74.004   0.710  -9.826
  147   1HG   GLU  19           HG2      GLU  19  72.149  -0.588 -10.738
  148   2HG   GLU  19           HG1      GLU  19  71.510   0.771  -9.813
  149    H    PHE  20           HN       PHE  20  73.361   2.167  -7.992
  150    HA   PHE  20           HA       PHE  20  70.649   2.359  -7.257
  151   1HB   PHE  20           HB2      PHE  20  73.241   2.977  -5.817
  152   2HB   PHE  20           HB1      PHE  20  71.684   2.921  -4.990
  153    HD1  PHE  20           HD2      PHE  20  70.255   0.733  -6.172
  154    HD2  PHE  20           HD1      PHE  20  74.452   1.041  -5.318
  155    HE1  PHE  20           HE2      PHE  20  70.409  -1.738  -6.045
  156    HE2  PHE  20           HE1      PHE  20  74.608  -1.430  -5.192
  157    HZ   PHE  20           HZ       PHE  20  72.587  -2.820  -5.555
  158    H    LYS  21           HN       LYS  21  73.064   4.939  -7.626
  159    HA   LYS  21           HA       LYS  21  71.656   7.087  -6.434
  160   1HB   LYS  21           HB2      LYS  21  74.045   6.854  -7.441
  161   2HB   LYS  21           HB1      LYS  21  73.284   7.318  -8.963
  162   1HG   LYS  21           HG2      LYS  21  72.392   9.363  -7.872
  163   2HG   LYS  21           HG1      LYS  21  73.221   8.911  -6.383
  164   1HD   LYS  21           HD2      LYS  21  74.946   8.897  -8.772
  165   2HD   LYS  21           HD1      LYS  21  74.312  10.488  -8.349
  166   1HE   LYS  21           HE2      LYS  21  75.288  10.425  -6.178
  167   2HE   LYS  21           HE1      LYS  21  75.581   8.678  -6.278
  168   1HZ   LYS  21           HZ2      LYS  21  76.728   9.941  -8.520
  169   2HZ   LYS  21           HZ1      LYS  21  77.273  10.732  -7.120
  170   3HZ   LYS  21           HZ3      LYS  21  77.505   9.063  -7.291
  171    H    ALA  22           HN       ALA  22  71.384   5.699  -9.697
  172    HA   ALA  22           HA       ALA  22  69.608   7.727 -10.738
  173   1HB   ALA  22           HB1      ALA  22  71.103   5.665 -11.719
  174   2HB   ALA  22           HB3      ALA  22  69.487   4.963 -11.797
  175   3HB   ALA  22           HB2      ALA  22  69.834   6.473 -12.640
  176    H    ALA  23           HN       ALA  23  68.949   4.340  -9.735
  177    HA   ALA  23           HA       ALA  23  66.119   4.480  -9.897
  178   1HB   ALA  23           HB3      ALA  23  67.986   2.873  -8.123
  179   2HB   ALA  23           HB2      ALA  23  66.277   2.503  -8.355
  180   3HB   ALA  23           HB1      ALA  23  67.392   2.406  -9.717
  181    H    PHE  24           HN       PHE  24  68.329   5.321  -7.245
  182    HA   PHE  24           HA       PHE  24  66.508   5.641  -5.124
  183   1HB   PHE  24           HB2      PHE  24  68.825   5.845  -4.696
  184   2HB   PHE  24           HB1      PHE  24  69.047   7.025  -5.988
  185    HD1  PHE  24           HD2      PHE  24  66.221   7.142  -3.617
  186    HD2  PHE  24           HD1      PHE  24  70.088   8.730  -4.602
  187    HE1  PHE  24           HE2      PHE  24  65.877   8.985  -1.994
  188    HE2  PHE  24           HE1      PHE  24  69.743  10.574  -2.979
  189    HZ   PHE  24           HZ       PHE  24  67.638  10.701  -1.675
  190    H    ASP  25           HN       ASP  25  67.448   8.051  -7.599
  191    HA   ASP  25           HA       ASP  25  65.697  10.125  -6.637
  192   1HB   ASP  25           HB2      ASP  25  67.098   9.524  -9.251
  193   2HB   ASP  25           HB1      ASP  25  66.187  11.013  -8.987
  194    H    ILE  26           HN       ILE  26  65.030   7.206  -8.285
  195    HA   ILE  26           HA       ILE  26  62.705   8.212  -9.778
  196    HB   ILE  26           HB       ILE  26  63.854   5.471  -9.202
  197   1HG1  ILE  26          HG12      ILE  26  64.059   7.479 -11.446
  198   2HG1  ILE  26          HG11      ILE  26  65.355   6.623 -10.612
  199   1HG2  ILE  26          HG21      ILE  26  61.250   6.004  -9.920
  200   2HG2  ILE  26          HG23      ILE  26  62.031   5.816 -11.489
  201   3HG2  ILE  26          HG22      ILE  26  62.111   4.514 -10.302
  202   1HD1  ILE  26          HD12      ILE  26  64.522   4.488 -11.619
  203   2HD1  ILE  26          HD11      ILE  26  63.351   5.428 -12.543
  204   3HD1  ILE  26          HD13      ILE  26  65.078   5.653 -12.821
  205    H    PHE  27           HN       PHE  27  63.306   6.387  -6.768
  206    HA   PHE  27           HA       PHE  27  60.496   5.830  -6.268
  207   1HB   PHE  27           HB2      PHE  27  62.807   5.933  -4.313
  208   2HB   PHE  27           HB1      PHE  27  61.358   4.932  -4.211
  209    HD1  PHE  27           HD1      PHE  27  60.962   3.584  -6.597
  210    HD2  PHE  27           HD2      PHE  27  64.729   4.766  -4.905
  211    HE1  PHE  27           HE1      PHE  27  62.101   1.804  -7.893
  212    HE2  PHE  27           HE2      PHE  27  65.869   2.985  -6.201
  213    HZ   PHE  27           HZ       PHE  27  64.554   1.504  -7.694
  214    H    VAL  28           HN       VAL  28  62.571   8.569  -5.766
  215    HA   VAL  28           HA       VAL  28  60.761   9.744  -3.725
  216    HB   VAL  28           HB       VAL  28  62.605  11.395  -3.582
  217   1HG1  VAL  28          HG11      VAL  28  62.652   8.720  -2.822
  218   2HG1  VAL  28          HG13      VAL  28  64.220   8.963  -3.593
  219   3HG1  VAL  28          HG12      VAL  28  63.738   9.979  -2.234
  220   1HG2  VAL  28          HG22      VAL  28  63.195  10.311  -6.180
  221   2HG2  VAL  28          HG21      VAL  28  63.924  11.704  -5.380
  222   3HG2  VAL  28          HG23      VAL  28  64.595  10.093  -5.130
  223    H    LEU  29           HN       LEU  29  60.300   9.448  -6.825
  224    HA   LEU  29           HA       LEU  29  60.362  11.986  -8.074
  225   1HB   LEU  29           HB2      LEU  29  59.332   9.384  -8.508
  226   2HB   LEU  29           HB1      LEU  29  57.980  10.493  -8.740
  227    HG   LEU  29           HG       LEU  29  59.370  11.845 -10.284
  228   1HD1  LEU  29          HD11      LEU  29  61.412   9.859  -9.390
  229   2HD1  LEU  29          HD13      LEU  29  61.477  10.390 -11.071
  230   3HD1  LEU  29          HD12      LEU  29  61.601  11.571  -9.767
  231   1HD2  LEU  29          HD21      LEU  29  58.197   9.349 -10.753
  232   2HD2  LEU  29          HD23      LEU  29  58.642  10.537 -11.977
  233   3HD2  LEU  29          HD22      LEU  29  59.768   9.249 -11.549
  234    H    GLY  30           HN       GLY  30  58.025  10.626  -5.779
  235   1HA   GLY  30           HA2      GLY  30  56.613  13.267  -5.794
  236   2HA   GLY  30           HA1      GLY  30  55.791  11.739  -5.475
  237    H    ALA  31           HN       ALA  31  58.923  11.868  -4.151
  238    HA   ALA  31           HA       ALA  31  58.051  11.566  -1.454
  239   1HB   ALA  31           HB2      ALA  31  60.394  11.399  -2.936
  240   2HB   ALA  31           HB1      ALA  31  60.715  12.739  -1.836
  241   3HB   ALA  31           HB3      ALA  31  60.271  11.157  -1.194
  242    H    GLU  32           HN       GLU  32  59.342  13.289   0.172
  243    HA   GLU  32           HA       GLU  32  58.059  15.929  -0.434
  244   1HB   GLU  32           HB2      GLU  32  58.754  14.444   2.116
  245   2HB   GLU  32           HB1      GLU  32  58.195  16.116   2.106
  246   1HG   GLU  32           HG2      GLU  32  56.641  13.941   0.706
  247   2HG   GLU  32           HG1      GLU  32  56.413  14.269   2.425
  248    H    ASP  33           HN       ASP  33  61.080  14.325   0.247
  249    HA   ASP  33           HA       ASP  33  62.492  16.936  -0.033
  250   1HB   ASP  33           HB2      ASP  33  63.809  16.465   1.965
  251   2HB   ASP  33           HB1      ASP  33  62.098  16.380   2.386
  252    H    GLY  34           HN       GLY  34  62.089  14.000  -1.287
  253   1HA   GLY  34           HA2      GLY  34  63.496  13.023  -2.969
  254   2HA   GLY  34           HA1      GLY  34  64.879  13.865  -2.266
  255    H    CYS  35           HN       CYS  35  62.509  11.895  -0.523
  256    HA   CYS  35           HA       CYS  35  64.742  10.029   0.207
  257   1HB   CYS  35           HB2      CYS  35  62.519  11.370   1.681
  258   2HB   CYS  35           HB1      CYS  35  62.964   9.747   2.206
  259    HG   CYS  35           HG       CYS  35  65.268  11.807   1.920
  260    H    ILE  36           HN       ILE  36  64.012   7.766   0.624
  261    HA   ILE  36           HA       ILE  36  61.748   7.025  -1.190
  262    HB   ILE  36           HB       ILE  36  63.734   5.042  -0.146
  263   1HG1  ILE  36          HG12      ILE  36  64.399   7.069  -2.311
  264   2HG1  ILE  36          HG11      ILE  36  65.119   7.040  -0.700
  265   1HG2  ILE  36          HG22      ILE  36  61.870   5.364  -2.359
  266   2HG2  ILE  36          HG21      ILE  36  63.471   4.893  -2.927
  267   3HG2  ILE  36          HG23      ILE  36  62.626   3.896  -1.742
  268   1HD1  ILE  36          HD12      ILE  36  65.945   4.733  -1.143
  269   2HD1  ILE  36          HD11      ILE  36  65.298   4.840  -2.780
  270   3HD1  ILE  36          HD13      ILE  36  66.607   5.910  -2.277
  271    H    SER  37           HN       SER  37  60.369   7.652   0.800
  272    HA   SER  37           HA       SER  37  60.351   6.373   3.281
  273   1HB   SER  37           HB2      SER  37  57.858   6.757   3.115
  274   2HB   SER  37           HB1      SER  37  58.831   8.156   2.667
  275    HG   SER  37           HG       SER  37  57.065   7.520   1.196
  276    H    THR  38           HN       THR  38  59.435   4.409   4.064
  277    HA   THR  38           HA       THR  38  59.731   2.058   2.544
  278    HB   THR  38           HB       THR  38  59.599   2.170   4.991
  279    HG1  THR  38           HG1      THR  38  57.651   0.584   5.084
  280   1HG2  THR  38          HG23      THR  38  57.903   3.967   5.091
  281   2HG2  THR  38          HG22      THR  38  56.679   2.826   4.535
  282   3HG2  THR  38          HG21      THR  38  57.454   2.593   6.101
  283    H    LYS  39           HN       LYS  39  56.940   4.200   2.854
  284    HA   LYS  39           HA       LYS  39  54.872   2.583   1.842
  285   1HB   LYS  39           HB2      LYS  39  55.168   5.151   2.628
  286   2HB   LYS  39           HB1      LYS  39  55.092   5.394   0.882
  287   1HG   LYS  39           HG2      LYS  39  52.853   5.219   1.025
  288   2HG   LYS  39           HG1      LYS  39  53.071   3.524   1.466
  289   1HD   LYS  39           HD2      LYS  39  53.557   5.369   3.697
  290   2HD   LYS  39           HD1      LYS  39  51.908   5.449   3.073
  291   1HE   LYS  39           HE2      LYS  39  51.700   3.689   4.598
  292   2HE   LYS  39           HE1      LYS  39  52.135   2.785   3.133
  293   1HZ   LYS  39           HZ1      LYS  39  54.234   3.923   4.862
  294   2HZ   LYS  39           HZ3      LYS  39  53.533   2.430   5.256
  295   3HZ   LYS  39           HZ2      LYS  39  54.336   2.624   3.772
  296    H    GLU  40           HN       GLU  40  57.344   4.432   0.058
  297    HA   GLU  40           HA       GLU  40  56.344   3.268  -2.503
  298   1HB   GLU  40           HB2      GLU  40  57.271   5.790  -1.657
  299   2HB   GLU  40           HB1      GLU  40  58.554   5.143  -2.681
  300   1HG   GLU  40           HG2      GLU  40  57.331   5.687  -4.488
  301   2HG   GLU  40           HG1      GLU  40  56.116   4.514  -3.973
  302    H    LEU  41           HN       LEU  41  57.689   1.468  -0.759
  303    HA   LEU  41           HA       LEU  41  60.317   1.116  -2.164
  304   1HB   LEU  41           HB2      LEU  41  59.571   1.293   0.612
  305   2HB   LEU  41           HB1      LEU  41  60.241  -0.308   0.294
  306    HG   LEU  41           HG       LEU  41  61.543   2.346  -0.379
  307   1HD1  LEU  41          HD11      LEU  41  61.656   0.518   1.903
  308   2HD1  LEU  41          HD13      LEU  41  63.244   0.810   1.193
  309   3HD1  LEU  41          HD12      LEU  41  62.267   2.166   1.757
  310   1HD2  LEU  41          HD23      LEU  41  61.802  -0.076  -1.723
  311   2HD2  LEU  41          HD22      LEU  41  62.977   1.240  -1.739
  312   3HD2  LEU  41          HD21      LEU  41  63.155  -0.089  -0.591
  313    H    GLY  42           HN       GLY  42  57.451  -0.495  -0.801
  314   1HA   GLY  42           HA2      GLY  42  58.086  -3.178  -1.336
  315   2HA   GLY  42           HA1      GLY  42  56.446  -2.531  -1.418
  316    H    LYS  43           HN       LYS  43  56.167  -1.076  -3.519
  317    HA   LYS  43           HA       LYS  43  56.335  -2.776  -5.796
  318   1HB   LYS  43           HB2      LYS  43  56.207   0.254  -5.741
  319   2HB   LYS  43           HB1      LYS  43  55.529  -0.820  -6.965
  320   1HG   LYS  43           HG2      LYS  43  54.276  -1.833  -4.826
  321   2HG   LYS  43           HG1      LYS  43  54.522  -0.191  -4.228
  322   1HD   LYS  43           HD2      LYS  43  52.478   0.022  -5.333
  323   2HD   LYS  43           HD1      LYS  43  53.612   0.502  -6.597
  324   1HE   LYS  43           HE2      LYS  43  52.916  -1.211  -7.902
  325   2HE   LYS  43           HE1      LYS  43  53.308  -2.373  -6.620
  326   1HZ   LYS  43           HZ3      LYS  43  50.970  -0.687  -6.196
  327   2HZ   LYS  43           HZ2      LYS  43  50.818  -1.895  -7.381
  328   3HZ   LYS  43           HZ1      LYS  43  51.219  -2.313  -5.784
  329    H    VAL  44           HN       VAL  44  58.604  -0.471  -4.429
  330    HA   VAL  44           HA       VAL  44  60.289  -0.161  -6.757
  331    HB   VAL  44           HB       VAL  44  60.725   0.134  -3.767
  332   1HG1  VAL  44          HG11      VAL  44  62.572   0.366  -6.060
  333   2HG1  VAL  44          HG13      VAL  44  62.564   1.762  -4.981
  334   3HG1  VAL  44          HG12      VAL  44  62.927   0.158  -4.344
  335   1HG2  VAL  44          HG22      VAL  44  59.976   2.002  -6.022
  336   2HG2  VAL  44          HG21      VAL  44  59.122   1.724  -4.504
  337   3HG2  VAL  44          HG23      VAL  44  60.651   2.603  -4.507
  338    H    MET  45           HN       MET  45  60.663  -2.140  -3.786
  339    HA   MET  45           HA       MET  45  62.996  -3.550  -4.543
  340   1HB   MET  45           HB2      MET  45  60.606  -4.063  -2.788
  341   2HB   MET  45           HB1      MET  45  61.807  -5.337  -3.004
  342   1HG   MET  45           HG2      MET  45  63.013  -2.719  -2.483
  343   2HG   MET  45           HG1      MET  45  61.976  -3.270  -1.167
  344   1HE   MET  45           HE3      MET  45  64.932  -3.806  -3.414
  345   2HE   MET  45           HE2      MET  45  65.460  -3.021  -1.927
  346   3HE   MET  45           HE1      MET  45  66.082  -4.617  -2.342
  347    H    ARG  46           HN       ARG  46  59.641  -3.972  -5.514
  348    HA   ARG  46           HA       ARG  46  59.802  -6.613  -6.605
  349   1HB   ARG  46           HB2      ARG  46  58.138  -4.146  -7.155
  350   2HB   ARG  46           HB1      ARG  46  57.854  -5.663  -8.010
  351   1HG   ARG  46           HG2      ARG  46  57.374  -6.826  -5.966
  352   2HG   ARG  46           HG1      ARG  46  57.934  -5.465  -4.990
  353   1HD   ARG  46           HD2      ARG  46  55.805  -4.689  -4.976
  354   2HD   ARG  46           HD1      ARG  46  55.937  -4.432  -6.727
  355    HE   ARG  46           HE       ARG  46  55.497  -7.173  -6.441
  356   1HH1  ARG  46          HH11      ARG  46  53.862  -6.470  -4.053
  357   2HH1  ARG  46          HH12      ARG  46  52.302  -6.173  -4.742
  358   1HH2  ARG  46          HH21      ARG  46  53.502  -5.837  -7.979
  359   2HH2  ARG  46          HH22      ARG  46  52.098  -5.810  -6.965
  360    H    MET  47           HN       MET  47  60.228  -3.410  -8.158
  361    HA   MET  47           HA       MET  47  61.111  -4.638 -10.679
  362   1HB   MET  47           HB2      MET  47  61.111  -2.367 -11.448
  363   2HB   MET  47           HB1      MET  47  59.750  -2.491 -10.333
  364   1HG   MET  47           HG2      MET  47  61.063  -1.503  -8.541
  365   2HG   MET  47           HG1      MET  47  62.507  -1.502  -9.552
  366   1HE   MET  47           HE1      MET  47  63.196  -0.257 -10.957
  367   2HE   MET  47           HE3      MET  47  62.418   0.974 -11.961
  368   3HE   MET  47           HE2      MET  47  63.033   1.395 -10.365
  369    H    LEU  48           HN       LEU  48  62.568  -3.161  -7.827
  370    HA   LEU  48           HA       LEU  48  65.195  -2.677  -8.841
  371   1HB   LEU  48           HB2      LEU  48  63.749  -2.770  -6.330
  372   2HB   LEU  48           HB1      LEU  48  65.355  -3.472  -6.135
  373    HG   LEU  48           HG       LEU  48  64.707  -0.734  -7.262
  374   1HD1  LEU  48          HD13      LEU  48  65.565  -1.796  -4.639
  375   2HD1  LEU  48          HD12      LEU  48  66.486  -0.406  -5.214
  376   3HD1  LEU  48          HD11      LEU  48  64.736  -0.288  -5.026
  377   1HD2  LEU  48          HD21      LEU  48  66.995  -2.485  -7.641
  378   2HD2  LEU  48          HD23      LEU  48  66.663  -0.916  -8.376
  379   3HD2  LEU  48          HD22      LEU  48  67.469  -1.003  -6.811
  380    H    GLY  49           HN       GLY  49  63.601  -5.615  -7.710
  381   1HA   GLY  49           HA2      GLY  49  64.627  -7.682  -8.837
  382   2HA   GLY  49           HA1      GLY  49  66.151  -7.111  -8.159
  383    H    GLN  50           HN       GLN  50  63.313  -6.643  -6.217
  384    HA   GLN  50           HA       GLN  50  64.060  -9.044  -4.578
  385   1HB   GLN  50           HB2      GLN  50  63.443  -6.197  -3.734
  386   2HB   GLN  50           HB1      GLN  50  63.614  -7.541  -2.604
  387   1HG   GLN  50           HG2      GLN  50  65.788  -6.749  -2.595
  388   2HG   GLN  50           HG1      GLN  50  65.897  -7.898  -3.929
  389   1HE2  GLN  50          HE22      GLN  50  67.297  -4.749  -5.256
  390   2HE2  GLN  50          HE21      GLN  50  67.743  -5.929  -4.120
  391    H    ASN  51           HN       ASN  51  62.205  -9.328  -2.823
  392    HA   ASN  51           HA       ASN  51  59.518  -8.640  -3.884
  393   1HB   ASN  51           HB2      ASN  51  60.740 -10.926  -4.703
  394   2HB   ASN  51           HB1      ASN  51  59.963 -11.503  -3.228
  395   1HD2  ASN  51          HD22      ASN  51  56.703 -11.387  -4.590
  396   2HD2  ASN  51          HD21      ASN  51  57.661 -11.710  -3.227
  397    HA   PRO  52           HA       PRO  52  60.101  -9.103   0.772
  398   1HB   PRO  52           HB2      PRO  52  59.962  -6.454   1.442
  399   2HB   PRO  52           HB1      PRO  52  61.490  -7.277   1.066
  400   1HG   PRO  52           HG2      PRO  52  59.840  -5.480  -0.633
  401   2HG   PRO  52           HG1      PRO  52  61.601  -5.624  -0.515
  402   1HD   PRO  52           HD2      PRO  52  60.107  -6.705  -2.541
  403   2HD   PRO  52           HD1      PRO  52  61.690  -7.329  -2.030
  404    H    THR  53           HN       THR  53  58.400  -8.447   2.412
  405    HA   THR  53           HA       THR  53  55.748  -8.215   1.079
  406    HB   THR  53           HB       THR  53  55.338  -8.690   3.762
  407    HG1  THR  53           HG1      THR  53  57.072 -10.426   3.970
  408   1HG2  THR  53          HG23      THR  53  55.916 -10.625   1.505
  409   2HG2  THR  53          HG22      THR  53  55.239 -11.112   3.059
  410   3HG2  THR  53          HG21      THR  53  54.341 -10.014   2.012
  411    HA   PRO  54           HA       PRO  54  54.904  -4.217   2.682
  412   1HB   PRO  54           HB2      PRO  54  52.365  -4.438   3.675
  413   2HB   PRO  54           HB1      PRO  54  52.726  -4.454   1.938
  414   1HG   PRO  54           HG2      PRO  54  52.118  -6.717   3.765
  415   2HG   PRO  54           HG1      PRO  54  51.657  -6.474   2.074
  416   1HD   PRO  54           HD2      PRO  54  53.694  -8.116   2.896
  417   2HD   PRO  54           HD1      PRO  54  53.601  -7.370   1.286
  418    H    GLU  55           HN       GLU  55  54.300  -6.881   4.935
  419    HA   GLU  55           HA       GLU  55  54.314  -5.153   7.307
  420   1HB   GLU  55           HB2      GLU  55  52.981  -7.121   7.390
  421   2HB   GLU  55           HB1      GLU  55  54.279  -8.121   6.737
  422   1HG   GLU  55           HG2      GLU  55  55.578  -7.857   8.775
  423   2HG   GLU  55           HG1      GLU  55  54.393  -6.725   9.425
  424    H    GLU  56           HN       GLU  56  56.632  -7.078   5.486
  425    HA   GLU  56           HA       GLU  56  58.690  -6.950   7.585
  426   1HB   GLU  56           HB2      GLU  56  58.264  -8.144   4.898
  427   2HB   GLU  56           HB1      GLU  56  59.939  -7.797   5.327
  428   1HG   GLU  56           HG2      GLU  56  58.566  -8.993   7.573
  429   2HG   GLU  56           HG1      GLU  56  58.402 -10.016   6.145
  430    H    LEU  57           HN       LEU  57  58.000  -5.366   4.472
  431    HA   LEU  57           HA       LEU  57  60.325  -3.945   3.961
  432   1HB   LEU  57           HB2      LEU  57  57.832  -3.984   2.979
  433   2HB   LEU  57           HB1      LEU  57  57.726  -2.472   3.882
  434    HG   LEU  57           HG       LEU  57  59.696  -1.602   2.711
  435   1HD1  LEU  57          HD13      LEU  57  59.787  -4.420   1.716
  436   2HD1  LEU  57          HD12      LEU  57  60.330  -3.142   0.627
  437   3HD1  LEU  57          HD11      LEU  57  61.110  -3.356   2.195
  438   1HD2  LEU  57          HD22      LEU  57  57.248  -1.696   1.691
  439   2HD2  LEU  57          HD21      LEU  57  58.596  -1.100   0.723
  440   3HD2  LEU  57          HD23      LEU  57  58.018  -2.752   0.505
  441    H    GLN  58           HN       GLN  58  57.636  -2.482   5.832
  442    HA   GLN  58           HA       GLN  58  59.016  -0.272   6.863
  443   1HB   GLN  58           HB2      GLN  58  56.540  -1.030   6.995
  444   2HB   GLN  58           HB1      GLN  58  57.026  -1.893   8.455
  445   1HG   GLN  58           HG2      GLN  58  57.386   1.079   7.964
  446   2HG   GLN  58           HG1      GLN  58  56.165   0.353   9.007
  447   1HE2  GLN  58          HE22      GLN  58  59.684   1.154  10.623
  448   2HE2  GLN  58          HE21      GLN  58  59.040   1.912   9.247
  449    H    GLU  59           HN       GLU  59  58.898  -3.595   8.147
  450    HA   GLU  59           HA       GLU  59  60.374  -3.016  10.565
  451   1HB   GLU  59           HB2      GLU  59  58.894  -4.953  10.271
  452   2HB   GLU  59           HB1      GLU  59  59.925  -5.564   8.976
  453   1HG   GLU  59           HG2      GLU  59  60.375  -6.682  11.163
  454   2HG   GLU  59           HG1      GLU  59  61.787  -5.834  10.533
  455    H    MET  60           HN       MET  60  61.310  -4.163   7.322
  456    HA   MET  60           HA       MET  60  64.039  -4.771   7.877
  457   1HB   MET  60           HB2      MET  60  62.361  -4.952   5.765
  458   2HB   MET  60           HB1      MET  60  63.291  -3.536   5.273
  459   1HG   MET  60           HG2      MET  60  65.254  -4.722   5.067
  460   2HG   MET  60           HG1      MET  60  64.815  -5.871   6.331
  461   1HE   MET  60           HE3      MET  60  65.278  -7.795   5.664
  462   2HE   MET  60           HE2      MET  60  63.613  -8.373   5.674
  463   3HE   MET  60           HE1      MET  60  64.664  -8.758   4.314
  464    H    ILE  61           HN       ILE  61  62.388  -1.712   7.476
  465    HA   ILE  61           HA       ILE  61  64.899  -0.198   7.100
  466    HB   ILE  61           HB       ILE  61  61.950   0.441   7.294
  467   1HG1  ILE  61          HG12      ILE  61  63.939   0.949   5.067
  468   2HG1  ILE  61          HG11      ILE  61  63.005  -0.543   5.193
  469   1HG2  ILE  61          HG21      ILE  61  64.280   2.207   7.669
  470   2HG2  ILE  61          HG23      ILE  61  63.147   2.761   6.437
  471   3HG2  ILE  61          HG22      ILE  61  62.588   2.475   8.084
  472   1HD1  ILE  61          HD11      ILE  61  61.381   1.891   5.476
  473   2HD1  ILE  61          HD13      ILE  61  62.158   1.737   3.901
  474   3HD1  ILE  61          HD12      ILE  61  61.096   0.457   4.489
  475    H    ASP  62           HN       ASP  62  62.474  -0.804   9.620
  476    HA   ASP  62           HA       ASP  62  63.462   1.123  11.520
  477   1HB   ASP  62           HB2      ASP  62  61.253  -0.339  11.299
  478   2HB   ASP  62           HB1      ASP  62  62.161  -1.460  12.314
  479    H    GLU  63           HN       GLU  63  64.857  -1.720  10.329
  480    HA   GLU  63           HA       GLU  63  66.279  -2.387  12.843
  481   1HB   GLU  63           HB2      GLU  63  65.584  -4.318  11.758
  482   2HB   GLU  63           HB1      GLU  63  65.740  -3.597  10.159
  483   1HG   GLU  63           HG2      GLU  63  67.478  -5.242  10.372
  484   2HG   GLU  63           HG1      GLU  63  68.245  -3.659  10.477
  485    H    VAL  64           HN       VAL  64  66.745  -0.697   9.825
  486    HA   VAL  64           HA       VAL  64  69.684  -0.506  10.372
  487    HB   VAL  64           HB       VAL  64  68.638  -1.464   8.187
  488   1HG1  VAL  64          HG11      VAL  64  67.334   0.995   8.223
  489   2HG1  VAL  64          HG13      VAL  64  68.610   1.219   7.026
  490   3HG1  VAL  64          HG12      VAL  64  67.448  -0.094   6.839
  491   1HG2  VAL  64          HG21      VAL  64  70.719   0.739   8.203
  492   2HG2  VAL  64          HG23      VAL  64  71.003  -0.995   8.352
  493   3HG2  VAL  64          HG22      VAL  64  70.430  -0.323   6.825
  494    H    ASP  65           HN       ASP  65  66.710   1.280  10.201
  495    HA   ASP  65           HA       ASP  65  67.757   3.908   9.683
  496   1HB   ASP  65           HB2      ASP  65  65.332   2.872   9.756
  497   2HB   ASP  65           HB1      ASP  65  65.390   3.352  11.453
  498    H    GLU  66           HN       GLU  66  69.516   4.497  10.988
  499    HA   GLU  66           HA       GLU  66  69.301   4.123  13.934
  500   1HB   GLU  66           HB2      GLU  66  71.422   4.523  11.888
  501   2HB   GLU  66           HB1      GLU  66  71.743   5.204  13.483
  502   1HG   GLU  66           HG2      GLU  66  72.425   3.122  14.056
  503   2HG   GLU  66           HG1      GLU  66  70.711   2.708  14.081
  504    H    ASP  67           HN       ASP  67  67.573   6.110  12.692
  505    HA   ASP  67           HA       ASP  67  68.675   8.562  14.006
  506   1HB   ASP  67           HB2      ASP  67  67.718   9.832  12.044
  507   2HB   ASP  67           HB1      ASP  67  69.064   8.775  11.619
  508    H    GLY  68           HN       GLY  68  65.774   7.025  12.579
  509   1HA   GLY  68           HA2      GLY  68  63.786   6.713  14.025
  510   2HA   GLY  68           HA1      GLY  68  64.183   8.249  14.797
  511    H    SER  69           HN       SER  69  64.431   7.835  11.327
  512    HA   SER  69           HA       SER  69  62.276   9.871  10.998
  513   1HB   SER  69           HB2      SER  69  63.350  10.142   8.774
  514   2HB   SER  69           HB1      SER  69  64.518  10.306  10.082
  515    HG   SER  69           HG       SER  69  63.996   7.922   8.624
  516    H    GLY  70           HN       GLY  70  63.254   6.633   9.889
  517   1HA   GLY  70           HA2      GLY  70  61.703   4.884   9.329
  518   2HA   GLY  70           HA1      GLY  70  60.437   6.099   9.150
  519    H    THR  71           HN       THR  71  62.487   7.735   7.531
  520    HA   THR  71           HA       THR  71  61.762   6.547   4.924
  521    HB   THR  71           HB       THR  71  62.967   8.776   4.237
  522    HG1  THR  71           HG1      THR  71  63.144  10.222   5.914
  523   1HG2  THR  71          HG22      THR  71  60.397   8.586   5.817
  524   2HG2  THR  71          HG21      THR  71  60.900  10.063   4.994
  525   3HG2  THR  71          HG23      THR  71  60.592   8.597   4.064
  526    H    VAL  72           HN       VAL  72  63.366   6.038   3.306
  527    HA   VAL  72           HA       VAL  72  66.027   5.307   4.459
  528    HB   VAL  72           HB       VAL  72  64.843   4.359   1.847
  529   1HG1  VAL  72          HG13      VAL  72  67.243   3.881   2.625
  530   2HG1  VAL  72          HG12      VAL  72  66.517   2.871   3.875
  531   3HG1  VAL  72          HG11      VAL  72  66.267   2.483   2.174
  532   1HG2  VAL  72          HG22      VAL  72  64.223   3.363   4.648
  533   2HG2  VAL  72          HG21      VAL  72  63.073   3.988   3.465
  534   3HG2  VAL  72          HG23      VAL  72  63.878   2.445   3.182
  535    H    ASP  73           HN       ASP  73  67.836   6.338   3.685
  536    HA   ASP  73           HA       ASP  73  67.519   8.060   1.247
  537   1HB   ASP  73           HB2      ASP  73  69.287   9.449   2.356
  538   2HB   ASP  73           HB1      ASP  73  67.825   9.305   3.333
  539    H    PHE  74           HN       PHE  74  69.782   8.447   0.197
  540    HA   PHE  74           HA       PHE  74  70.830   6.119  -0.913
  541   1HB   PHE  74           HB2      PHE  74  71.204   8.681  -1.338
  542   2HB   PHE  74           HB1      PHE  74  72.588   8.475  -0.264
  543    HD1  PHE  74           HD2      PHE  74  70.981   6.804  -3.217
  544    HD2  PHE  74           HD1      PHE  74  74.624   7.836  -1.192
  545    HE1  PHE  74           HE2      PHE  74  72.293   5.833  -5.084
  546    HE2  PHE  74           HE1      PHE  74  75.937   6.865  -3.058
  547    HZ   PHE  74           HZ       PHE  74  74.772   5.863  -5.004
  548    H    ASP  75           HN       ASP  75  71.613   7.561   2.211
  549    HA   ASP  75           HA       ASP  75  73.994   5.946   2.675
  550   1HB   ASP  75           HB2      ASP  75  72.873   8.215   3.714
  551   2HB   ASP  75           HB1      ASP  75  72.461   7.035   4.959
  552    H    GLU  76           HN       GLU  76  70.669   5.861   4.027
  553    HA   GLU  76           HA       GLU  76  71.121   3.290   5.336
  554   1HB   GLU  76           HB2      GLU  76  68.627   4.919   4.744
  555   2HB   GLU  76           HB1      GLU  76  68.703   3.555   5.860
  556   1HG   GLU  76           HG2      GLU  76  69.967   4.719   7.420
  557   2HG   GLU  76           HG1      GLU  76  70.645   5.809   6.210
  558    H    PHE  77           HN       PHE  77  69.482   4.402   2.375
  559    HA   PHE  77           HA       PHE  77  68.102   2.127   1.561
  560   1HB   PHE  77           HB2      PHE  77  68.108   4.200   0.311
  561   2HB   PHE  77           HB1      PHE  77  69.840   4.063   0.002
  562    HD1  PHE  77           HD2      PHE  77  67.261   1.374  -0.128
  563    HD2  PHE  77           HD1      PHE  77  69.956   3.866  -2.359
  564    HE1  PHE  77           HE2      PHE  77  66.798   0.046  -2.170
  565    HE2  PHE  77           HE1      PHE  77  69.492   2.537  -4.401
  566    HZ   PHE  77           HZ       PHE  77  67.914   0.628  -4.307
  567    H    LEU  78           HN       LEU  78  71.571   2.802   0.946
  568    HA   LEU  78           HA       LEU  78  72.116   0.250  -0.278
  569   1HB   LEU  78           HB2      LEU  78  73.785   2.404   1.043
  570   2HB   LEU  78           HB1      LEU  78  74.502   1.000   0.251
  571    HG   LEU  78           HG       LEU  78  72.563   2.890  -1.106
  572   1HD1  LEU  78          HD13      LEU  78  74.826   3.879  -0.408
  573   2HD1  LEU  78          HD12      LEU  78  75.551   2.736  -1.538
  574   3HD1  LEU  78          HD11      LEU  78  74.430   3.965  -2.125
  575   1HD2  LEU  78          HD22      LEU  78  73.934   0.369  -1.811
  576   2HD2  LEU  78          HD21      LEU  78  72.469   1.079  -2.489
  577   3HD2  LEU  78          HD23      LEU  78  74.053   1.636  -3.032
  578    H    VAL  79           HN       VAL  79  72.730   1.509   3.022
  579    HA   VAL  79           HA       VAL  79  73.963  -0.735   4.166
  580    HB   VAL  79           HB       VAL  79  71.901   1.178   5.313
  581   1HG1  VAL  79          HG13      VAL  79  72.461  -1.007   6.602
  582   2HG1  VAL  79          HG12      VAL  79  74.041  -0.271   6.866
  583   3HG1  VAL  79          HG11      VAL  79  72.587   0.523   7.471
  584   1HG2  VAL  79          HG22      VAL  79  74.366   1.754   4.244
  585   2HG2  VAL  79          HG21      VAL  79  73.576   2.709   5.498
  586   3HG2  VAL  79          HG23      VAL  79  74.767   1.486   5.940
  587    H    MET  80           HN       MET  80  70.582  -0.236   3.324
  588    HA   MET  80           HA       MET  80  69.548  -2.510   4.813
  589   1HB   MET  80           HB2      MET  80  68.616  -0.294   3.311
  590   2HB   MET  80           HB1      MET  80  67.969  -1.733   2.523
  591   1HG   MET  80           HG2      MET  80  66.844  -2.443   4.465
  592   2HG   MET  80           HG1      MET  80  67.833  -1.429   5.517
  593   1HE   MET  80           HE1      MET  80  66.305  -0.926   2.164
  594   2HE   MET  80           HE3      MET  80  64.754  -1.384   2.881
  595   3HE   MET  80           HE2      MET  80  65.024   0.271   2.337
  596    H    MET  81           HN       MET  81  70.329  -1.948   1.359
  597    HA   MET  81           HA       MET  81  69.643  -4.572   0.444
  598   1HB   MET  81           HB2      MET  81  70.768  -2.126  -0.524
  599   2HB   MET  81           HB1      MET  81  71.808  -3.448  -1.058
  600   1HG   MET  81           HG2      MET  81  70.071  -4.512  -2.227
  601   2HG   MET  81           HG1      MET  81  68.816  -3.661  -1.325
  602   1HE   MET  81           HE3      MET  81  67.516  -3.115  -2.753
  603   2HE   MET  81           HE2      MET  81  67.518  -1.422  -3.241
  604   3HE   MET  81           HE1      MET  81  67.828  -2.677  -4.438
  605    H    VAL  82           HN       VAL  82  72.882  -3.195   1.169
  606    HA   VAL  82           HA       VAL  82  74.430  -5.516   0.856
  607    HB   VAL  82           HB       VAL  82  75.383  -3.324   1.246
  608   1HG1  VAL  82          HG11      VAL  82  73.333  -3.042   3.077
  609   2HG1  VAL  82          HG13      VAL  82  74.756  -3.165   4.111
  610   3HG1  VAL  82          HG12      VAL  82  74.672  -1.913   2.871
  611   1HG2  VAL  82          HG22      VAL  82  76.000  -5.584   3.019
  612   2HG2  VAL  82          HG21      VAL  82  77.089  -4.572   2.072
  613   3HG2  VAL  82          HG23      VAL  82  76.537  -4.032   3.658
  614    H    ARG  83           HN       ARG  83  72.181  -4.682   3.407
  615    HA   ARG  83           HA       ARG  83  73.142  -6.659   5.327
  616   1HB   ARG  83           HB2      ARG  83  70.851  -4.762   4.985
  617   2HB   ARG  83           HB1      ARG  83  70.676  -6.062   6.165
  618   1HG   ARG  83           HG2      ARG  83  72.691  -5.361   7.320
  619   2HG   ARG  83           HG1      ARG  83  73.028  -4.154   6.079
  620   1HD   ARG  83           HD2      ARG  83  72.000  -3.032   7.991
  621   2HD   ARG  83           HD1      ARG  83  70.817  -3.059   6.667
  622    HE   ARG  83           HE       ARG  83  70.736  -4.778   9.086
  623   1HH1  ARG  83          HH11      ARG  83  68.945  -3.024   6.898
  624   2HH1  ARG  83          HH12      ARG  83  67.682  -4.194   6.704
  625   1HH2  ARG  83          HH21      ARG  83  69.353  -6.676   8.459
  626   2HH2  ARG  83          HH22      ARG  83  67.913  -6.263   7.587
  627    H    CYS  84           HN       CYS  84  70.431  -6.482   3.002
  628    HA   CYS  84           HA       CYS  84  69.677  -9.286   3.600
  629   1HB   CYS  84           HB2      CYS  84  68.530  -7.331   1.587
  630   2HB   CYS  84           HB1      CYS  84  67.733  -8.745   2.277
  631    HG   CYS  84           HG       CYS  84  67.735  -6.031   3.530
  632    H    MET  85           HN       MET  85  72.106  -8.038   1.876
  633    HA   MET  85           HA       MET  85  71.676  -9.602  -0.618
  634   1HB   MET  85           HB2      MET  85  73.431  -7.397   0.365
  635   2HB   MET  85           HB1      MET  85  74.082  -8.432  -0.907
  636   1HG   MET  85           HG2      MET  85  71.628  -8.015  -1.927
  637   2HG   MET  85           HG1      MET  85  71.795  -6.524  -0.998
  638   1HE   MET  85           HE3      MET  85  73.396  -4.693  -1.380
  639   2HE   MET  85           HE2      MET  85  73.712  -4.291  -3.066
  640   3HE   MET  85           HE1      MET  85  72.071  -4.675  -2.552
  641    H    LYS  86           HN       LYS  86  74.328  -9.194   1.768
  642    HA   LYS  86           HA       LYS  86  74.775 -12.139   1.711
  643   1HB   LYS  86           HB2      LYS  86  76.204 -10.317   0.154
  644   2HB   LYS  86           HB1      LYS  86  77.251 -10.590   1.548
  645   1HG   LYS  86           HG2      LYS  86  77.177 -12.994   1.198
  646   2HG   LYS  86           HG1      LYS  86  75.998 -12.804  -0.102
  647   1HD   LYS  86           HD2      LYS  86  77.695 -11.417  -1.339
  648   2HD   LYS  86           HD1      LYS  86  78.871 -11.841  -0.094
  649   1HE   LYS  86           HE2      LYS  86  77.897 -14.317  -0.731
  650   2HE   LYS  86           HE1      LYS  86  77.802 -13.496  -2.302
  651   1HZ   LYS  86           HZ1      LYS  86  80.182 -13.265  -0.557
  652   2HZ   LYS  86           HZ3      LYS  86  80.031 -14.522  -1.686
  653   3HZ   LYS  86           HZ2      LYS  86  80.049 -12.906  -2.212
  654    H    ASP  87           HN       ASP  87  76.009 -12.870   3.580
  655    HA   ASP  87           HA       ASP  87  76.762 -10.868   5.622
  656   1HB   ASP  87           HB2      ASP  87  74.363 -11.140   5.946
  657   2HB   ASP  87           HB1      ASP  87  74.528 -12.896   5.942
  658    H    ASP  88           HN       ASP  88  75.871 -14.052   6.679
  659    HA   ASP  88           HA       ASP  88  78.515 -14.700   7.566
  660   1HB   ASP  88           HB2      ASP  88  76.091 -15.525   8.210
  661   2HB   ASP  88           HB1      ASP  88  76.399 -16.755   6.983
  662    H    SER  89           HN       SER  89  76.604 -15.947   4.801
  663    HA   SER  89           HA       SER  89  78.958 -17.395   3.757
  664   1HB   SER  89           HB2      SER  89  76.036 -17.289   3.385
  665   2HB   SER  89           HB1      SER  89  76.935 -17.568   1.897
  666    HG   SER  89           HG       SER  89  76.528 -19.531   2.921
   
  No H/Q in entry =         666
  Start of MODEL   26
    1   1H    MET   1           HT2      MET   1  83.540  -3.157  16.062
    2   2H    MET   1           HT1      MET   1  84.997  -2.321  16.322
    3   3H    MET   1           HT3      MET   1  84.502  -3.522  17.414
    4    HA   MET   1           HA       MET   1  83.043  -2.172  18.482
    5   1HB   MET   1           HB2      MET   1  84.855  -0.214  17.030
    6   2HB   MET   1           HB1      MET   1  84.061   0.063  18.580
    7   1HG   MET   1           HG2      MET   1  86.038  -2.175  18.058
    8   2HG   MET   1           HG1      MET   1  86.459  -0.636  18.808
    9   1HE   MET   1           HE2      MET   1  85.770  -3.946  19.052
   10   2HE   MET   1           HE1      MET   1  85.207  -4.343  20.673
   11   3HE   MET   1           HE3      MET   1  84.043  -3.950  19.399
   12    H    ASP   2           HN       ASP   2  81.334  -2.832  16.648
   13    HA   ASP   2           HA       ASP   2  79.507  -2.120  15.324
   14   1HB   ASP   2           HB2      ASP   2  80.314   0.382  16.833
   15   2HB   ASP   2           HB1      ASP   2  78.845   0.280  15.861
   16    H    ASP   3           HN       ASP   3  79.019   0.155  13.868
   17    HA   ASP   3           HA       ASP   3  79.632   1.244  11.859
   18   1HB   ASP   3           HB2      ASP   3  81.911   1.290  13.732
   19   2HB   ASP   3           HB1      ASP   3  82.363   1.548  12.046
   20    H    ILE   4           HN       ILE   4  79.992  -1.841  12.310
   21    HA   ILE   4           HA       ILE   4  82.100  -2.557  10.399
   22    HB   ILE   4           HB       ILE   4  79.864  -4.194  11.634
   23   1HG1  ILE   4          HG12      ILE   4  82.690  -3.943  12.674
   24   2HG1  ILE   4          HG11      ILE   4  81.415  -2.848  13.211
   25   1HG2  ILE   4          HG23      ILE   4  81.585  -4.916   9.650
   26   2HG2  ILE   4          HG22      ILE   4  82.533  -5.345  11.073
   27   3HG2  ILE   4          HG21      ILE   4  80.933  -6.047  10.837
   28   1HD1  ILE   4          HD11      ILE   4  80.091  -5.128  13.567
   29   2HD1  ILE   4          HD13      ILE   4  81.723  -5.783  13.699
   30   3HD1  ILE   4          HD12      ILE   4  81.191  -4.513  14.802
   31    H    TYR   5           HN       TYR   5  78.622  -2.027  10.327
   32    HA   TYR   5           HA       TYR   5  78.140  -3.384   7.808
   33   1HB   TYR   5           HB2      TYR   5  76.702  -1.442   9.602
   34   2HB   TYR   5           HB1      TYR   5  76.032  -1.836   8.019
   35    HD1  TYR   5           HD1      TYR   5  77.193  -3.322  11.231
   36    HD2  TYR   5           HD2      TYR   5  74.942  -3.909   7.621
   37    HE1  TYR   5           HE1      TYR   5  76.300  -5.452  12.135
   38    HE2  TYR   5           HE2      TYR   5  74.049  -6.038   8.524
   39    HH   TYR   5           HH       TYR   5  75.267  -7.427  11.501
   40    H    LYS   6           HN       LYS   6  79.093  -0.097   8.712
   41    HA   LYS   6           HA       LYS   6  78.478   1.211   6.251
   42   1HB   LYS   6           HB2      LYS   6  79.756   2.964   7.168
   43   2HB   LYS   6           HB1      LYS   6  79.244   2.070   8.597
   44   1HG   LYS   6           HG2      LYS   6  81.401   0.860   8.606
   45   2HG   LYS   6           HG1      LYS   6  81.914   1.776   7.190
   46   1HD   LYS   6           HD2      LYS   6  81.847   3.852   8.409
   47   2HD   LYS   6           HD1      LYS   6  81.077   3.075   9.793
   48   1HE   LYS   6           HE2      LYS   6  83.069   1.821  10.309
   49   2HE   LYS   6           HE1      LYS   6  83.832   2.300   8.779
   50   1HZ   LYS   6           HZ2      LYS   6  83.138   4.675   9.762
   51   2HZ   LYS   6           HZ1      LYS   6  83.443   3.844  11.212
   52   3HZ   LYS   6           HZ3      LYS   6  84.658   3.966  10.036
   53    H    ALA   7           HN       ALA   7  80.809  -1.196   6.963
   54    HA   ALA   7           HA       ALA   7  82.700  -0.420   4.837
   55   1HB   ALA   7           HB3      ALA   7  82.471  -2.339   7.060
   56   2HB   ALA   7           HB2      ALA   7  83.279  -2.999   5.639
   57   3HB   ALA   7           HB1      ALA   7  83.904  -1.542   6.412
   58    H    ALA   8           HN       ALA   8  80.026  -2.680   5.321
   59    HA   ALA   8           HA       ALA   8  80.483  -4.267   2.948
   60   1HB   ALA   8           HB2      ALA   8  78.953  -4.440   5.181
   61   2HB   ALA   8           HB1      ALA   8  77.740  -3.882   4.030
   62   3HB   ALA   8           HB3      ALA   8  78.625  -5.377   3.723
   63    H    VAL   9           HN       VAL   9  78.808  -1.232   3.590
   64    HA   VAL   9           HA       VAL   9  77.399  -1.184   1.026
   65    HB   VAL   9           HB       VAL   9  77.964   0.846   3.206
   66   1HG1  VAL   9          HG13      VAL   9  77.561   1.813   0.871
   67   2HG1  VAL   9          HG12      VAL   9  75.947   1.112   0.967
   68   3HG1  VAL   9          HG11      VAL   9  76.444   2.342   2.128
   69   1HG2  VAL   9          HG21      VAL   9  76.354  -1.320   3.323
   70   2HG2  VAL   9          HG23      VAL   9  75.964   0.198   4.134
   71   3HG2  VAL   9          HG22      VAL   9  75.242  -0.177   2.568
   72    H    GLU  10           HN       GLU  10  80.398   0.178   2.349
   73    HA   GLU  10           HA       GLU  10  80.955   1.832   0.009
   74   1HB   GLU  10           HB2      GLU  10  81.813   1.584   2.654
   75   2HB   GLU  10           HB1      GLU  10  83.214   1.082   1.707
   76   1HG   GLU  10           HG2      GLU  10  83.558   3.170   0.874
   77   2HG   GLU  10           HG1      GLU  10  81.833   3.475   0.670
   78    H    GLN  11           HN       GLN  11  81.591  -1.472   0.968
   79    HA   GLN  11           HA       GLN  11  83.848  -2.071  -0.660
   80   1HB   GLN  11           HB2      GLN  11  81.815  -3.393   0.912
   81   2HB   GLN  11           HB1      GLN  11  82.102  -4.300  -0.573
   82   1HG   GLN  11           HG2      GLN  11  83.738  -5.178   0.847
   83   2HG   GLN  11           HG1      GLN  11  84.631  -3.917  -0.003
   84   1HE2  GLN  11          HE22      GLN  11  84.048  -3.607   3.995
   85   2HE2  GLN  11          HE21      GLN  11  83.484  -4.947   3.119
   86    H    LEU  12           HN       LEU  12  80.503  -1.515  -1.489
   87    HA   LEU  12           HA       LEU  12  80.285  -2.938  -3.936
   88   1HB   LEU  12           HB2      LEU  12  79.157  -0.249  -3.089
   89   2HB   LEU  12           HB1      LEU  12  78.521  -1.251  -4.391
   90    HG   LEU  12           HG       LEU  12  78.718  -2.080  -1.480
   91   1HD1  LEU  12          HD13      LEU  12  76.519  -0.953  -3.186
   92   2HD1  LEU  12          HD12      LEU  12  76.116  -2.108  -1.916
   93   3HD1  LEU  12          HD11      LEU  12  76.923  -0.593  -1.507
   94   1HD2  LEU  12          HD23      LEU  12  78.955  -3.951  -3.091
   95   2HD2  LEU  12          HD22      LEU  12  77.426  -4.045  -2.218
   96   3HD2  LEU  12          HD21      LEU  12  77.458  -3.452  -3.878
   97    H    THR  13           HN       THR  13  81.043  -2.506  -6.006
   98    HA   THR  13           HA       THR  13  83.281  -0.779  -6.419
   99    HB   THR  13           HB       THR  13  82.997  -1.454  -8.738
  100    HG1  THR  13           HG1      THR  13  80.543  -2.651  -8.248
  101   1HG2  THR  13          HG22      THR  13  83.266  -3.197  -6.671
  102   2HG2  THR  13          HG21      THR  13  81.833  -3.856  -7.460
  103   3HG2  THR  13          HG23      THR  13  83.336  -3.677  -8.366
  104    H    GLU  14           HN       GLU  14  83.405   1.275  -7.443
  105    HA   GLU  14           HA       GLU  14  81.406   3.199  -6.916
  106   1HB   GLU  14           HB2      GLU  14  83.940   2.953  -8.317
  107   2HB   GLU  14           HB1      GLU  14  82.860   4.060  -9.165
  108   1HG   GLU  14           HG2      GLU  14  82.821   5.574  -7.432
  109   2HG   GLU  14           HG1      GLU  14  83.018   4.327  -6.200
  110    H    GLU  15           HN       GLU  15  82.055   1.408  -9.944
  111    HA   GLU  15           HA       GLU  15  80.079   2.651 -11.570
  112   1HB   GLU  15           HB2      GLU  15  80.238   0.386 -12.775
  113   2HB   GLU  15           HB1      GLU  15  81.759   1.247 -12.534
  114   1HG   GLU  15           HG2      GLU  15  81.247  -0.339 -10.207
  115   2HG   GLU  15           HG1      GLU  15  81.065  -1.364 -11.629
  116    H    GLN  16           HN       GLN  16  79.741   0.477  -8.898
  117    HA   GLN  16           HA       GLN  16  77.117  -0.573  -9.683
  118   1HB   GLN  16           HB2      GLN  16  78.865  -1.728  -8.269
  119   2HB   GLN  16           HB1      GLN  16  78.517  -0.560  -6.993
  120   1HG   GLN  16           HG2      GLN  16  76.516  -1.526  -6.474
  121   2HG   GLN  16           HG1      GLN  16  76.147  -1.898  -8.159
  122   1HE2  GLN  16          HE22      GLN  16  76.788  -5.272  -7.260
  123   2HE2  GLN  16          HE21      GLN  16  75.603  -4.139  -7.702
  124    H    LYS  17           HN       LYS  17  78.117   1.362  -6.828
  125    HA   LYS  17           HA       LYS  17  75.564   2.250  -6.056
  126   1HB   LYS  17           HB2      LYS  17  78.371   2.943  -5.648
  127   2HB   LYS  17           HB1      LYS  17  77.326   4.360  -5.544
  128   1HG   LYS  17           HG2      LYS  17  76.315   3.636  -3.635
  129   2HG   LYS  17           HG1      LYS  17  76.303   1.953  -4.164
  130   1HD   LYS  17           HD2      LYS  17  77.800   2.196  -2.245
  131   2HD   LYS  17           HD1      LYS  17  78.743   1.817  -3.688
  132   1HE   LYS  17           HE2      LYS  17  79.515   4.056  -3.910
  133   2HE   LYS  17           HE1      LYS  17  78.275   4.675  -2.800
  134   1HZ   LYS  17           HZ2      LYS  17  79.990   2.553  -1.785
  135   2HZ   LYS  17           HZ1      LYS  17  80.732   4.066  -2.002
  136   3HZ   LYS  17           HZ3      LYS  17  79.376   3.925  -0.991
  137    H    ASN  18           HN       ASN  18  77.639   3.400  -8.657
  138    HA   ASN  18           HA       ASN  18  76.452   5.927  -9.186
  139   1HB   ASN  18           HB2      ASN  18  78.262   4.036 -10.375
  140   2HB   ASN  18           HB1      ASN  18  77.160   4.625 -11.620
  141   1HD2  ASN  18          HD21      ASN  18  80.087   5.292 -11.156
  142   2HD2  ASN  18          HD22      ASN  18  80.131   6.984 -11.027
  143    H    GLU  19           HN       GLU  19  75.395   2.654  -9.975
  144    HA   GLU  19           HA       GLU  19  73.271   3.549 -11.789
  145   1HB   GLU  19           HB2      GLU  19  74.415   1.026 -10.704
  146   2HB   GLU  19           HB1      GLU  19  72.727   0.959 -11.211
  147   1HG   GLU  19           HG2      GLU  19  73.955   2.376 -13.260
  148   2HG   GLU  19           HG1      GLU  19  75.146   1.144 -12.843
  149    H    PHE  20           HN       PHE  20  73.586   2.644  -8.386
  150    HA   PHE  20           HA       PHE  20  70.765   2.379  -7.831
  151   1HB   PHE  20           HB2      PHE  20  73.316   2.765  -6.294
  152   2HB   PHE  20           HB1      PHE  20  71.778   2.917  -5.445
  153    HD1  PHE  20           HD1      PHE  20  73.783   0.635  -7.607
  154    HD2  PHE  20           HD2      PHE  20  70.507   1.005  -4.853
  155    HE1  PHE  20           HE1      PHE  20  73.590  -1.835  -7.505
  156    HE2  PHE  20           HE2      PHE  20  70.313  -1.465  -4.750
  157    HZ   PHE  20           HZ       PHE  20  71.855  -2.886  -6.077
  158    H    LYS  21           HN       LYS  21  72.971   5.119  -8.000
  159    HA   LYS  21           HA       LYS  21  71.483   7.051  -6.537
  160   1HB   LYS  21           HB2      LYS  21  73.840   7.142  -7.520
  161   2HB   LYS  21           HB1      LYS  21  73.080   7.518  -9.067
  162   1HG   LYS  21           HG2      LYS  21  71.829   9.378  -7.738
  163   2HG   LYS  21           HG1      LYS  21  73.099   9.149  -6.536
  164   1HD   LYS  21           HD2      LYS  21  73.721   9.610  -9.456
  165   2HD   LYS  21           HD1      LYS  21  73.531  10.942  -8.315
  166   1HE   LYS  21           HE2      LYS  21  75.644  10.626  -7.572
  167   2HE   LYS  21           HE1      LYS  21  75.264   8.942  -7.158
  168   1HZ   LYS  21           HZ3      LYS  21  75.523   8.369  -9.511
  169   2HZ   LYS  21           HZ2      LYS  21  75.980   9.969  -9.854
  170   3HZ   LYS  21           HZ1      LYS  21  76.960   8.997  -8.862
  171    H    ALA  22           HN       ALA  22  71.465   6.450 -10.081
  172    HA   ALA  22           HA       ALA  22  69.457   8.256 -10.834
  173   1HB   ALA  22           HB1      ALA  22  70.854   6.854 -12.333
  174   2HB   ALA  22           HB3      ALA  22  69.951   5.428 -11.825
  175   3HB   ALA  22           HB2      ALA  22  69.142   6.706 -12.732
  176    H    ALA  23           HN       ALA  23  68.984   4.832  -9.869
  177    HA   ALA  23           HA       ALA  23  66.153   4.782  -9.983
  178   1HB   ALA  23           HB1      ALA  23  67.651   2.832  -9.733
  179   2HB   ALA  23           HB3      ALA  23  68.083   3.370  -8.111
  180   3HB   ALA  23           HB2      ALA  23  66.435   2.848  -8.456
  181    H    PHE  24           HN       PHE  24  68.275   5.486  -7.183
  182    HA   PHE  24           HA       PHE  24  66.453   5.901  -5.147
  183   1HB   PHE  24           HB2      PHE  24  68.763   6.175  -4.718
  184   2HB   PHE  24           HB1      PHE  24  68.952   7.353  -6.016
  185    HD1  PHE  24           HD1      PHE  24  67.116   6.860  -2.782
  186    HD2  PHE  24           HD2      PHE  24  68.942   9.633  -5.507
  187    HE1  PHE  24           HE1      PHE  24  66.713   8.705  -1.174
  188    HE2  PHE  24           HE2      PHE  24  68.540  11.478  -3.900
  189    HZ   PHE  24           HZ       PHE  24  67.425  11.014  -1.733
  190    H    ASP  25           HN       ASP  25  67.270   8.251  -7.719
  191    HA   ASP  25           HA       ASP  25  65.488  10.317  -6.763
  192   1HB   ASP  25           HB2      ASP  25  66.932   9.682  -9.338
  193   2HB   ASP  25           HB1      ASP  25  65.900  11.105  -9.195
  194    H    ILE  26           HN       ILE  26  64.884   7.341  -8.313
  195    HA   ILE  26           HA       ILE  26  62.579   8.164  -9.901
  196    HB   ILE  26           HB       ILE  26  63.550   5.471  -8.893
  197   1HG1  ILE  26          HG12      ILE  26  65.188   6.802 -10.262
  198   2HG1  ILE  26          HG11      ILE  26  64.684   5.299 -11.036
  199   1HG2  ILE  26          HG22      ILE  26  61.368   6.343 -10.726
  200   2HG2  ILE  26          HG21      ILE  26  62.303   4.925 -11.200
  201   3HG2  ILE  26          HG23      ILE  26  61.447   4.942  -9.658
  202   1HD1  ILE  26          HD12      ILE  26  63.494   8.032 -11.596
  203   2HD1  ILE  26          HD11      ILE  26  64.657   7.200 -12.629
  204   3HD1  ILE  26          HD13      ILE  26  63.044   6.525 -12.393
  205    H    PHE  27           HN       PHE  27  63.066   6.668  -6.694
  206    HA   PHE  27           HA       PHE  27  60.210   6.325  -6.199
  207   1HB   PHE  27           HB2      PHE  27  62.434   6.407  -4.155
  208   2HB   PHE  27           HB1      PHE  27  60.965   5.432  -4.132
  209    HD1  PHE  27           HD2      PHE  27  60.675   3.692  -6.045
  210    HD2  PHE  27           HD1      PHE  27  64.427   5.514  -5.017
  211    HE1  PHE  27           HE2      PHE  27  61.882   1.850  -7.185
  212    HE2  PHE  27           HE1      PHE  27  65.634   3.672  -6.156
  213    HZ   PHE  27           HZ       PHE  27  64.362   1.840  -7.240
  214    H    VAL  28           HN       VAL  28  62.682   8.725  -5.316
  215    HA   VAL  28           HA       VAL  28  60.971  10.219  -3.515
  216    HB   VAL  28           HB       VAL  28  62.852  11.715  -3.479
  217   1HG1  VAL  28          HG13      VAL  28  63.109   8.939  -3.162
  218   2HG1  VAL  28          HG12      VAL  28  64.540   9.429  -4.071
  219   3HG1  VAL  28          HG11      VAL  28  64.187  10.176  -2.513
  220   1HG2  VAL  28          HG21      VAL  28  63.603  10.410  -6.111
  221   2HG2  VAL  28          HG23      VAL  28  63.114  12.087  -5.867
  222   3HG2  VAL  28          HG22      VAL  28  64.653  11.514  -5.223
  223    H    LEU  29           HN       LEU  29  60.846   9.839  -6.839
  224    HA   LEU  29           HA       LEU  29  60.540  12.312  -8.048
  225   1HB   LEU  29           HB2      LEU  29  59.768   9.628  -8.474
  226   2HB   LEU  29           HB1      LEU  29  58.306  10.588  -8.697
  227    HG   LEU  29           HG       LEU  29  59.723  12.135 -10.165
  228   1HD1  LEU  29          HD13      LEU  29  61.582   9.767  -9.849
  229   2HD1  LEU  29          HD12      LEU  29  61.697  10.890 -11.203
  230   3HD1  LEU  29          HD11      LEU  29  61.939  11.468  -9.554
  231   1HD2  LEU  29          HD23      LEU  29  58.946   9.308 -10.833
  232   2HD2  LEU  29          HD22      LEU  29  58.198  10.817 -11.353
  233   3HD2  LEU  29          HD21      LEU  29  59.733  10.306 -12.056
  234    H    GLY  30           HN       GLY  30  58.295  10.754  -5.784
  235   1HA   GLY  30           HA2      GLY  30  56.507  13.131  -5.972
  236   2HA   GLY  30           HA1      GLY  30  56.048  11.572  -5.282
  237    H    ALA  31           HN       ALA  31  58.995  11.840  -4.076
  238    HA   ALA  31           HA       ALA  31  58.183  12.513  -1.422
  239   1HB   ALA  31           HB1      ALA  31  60.873  12.449  -2.826
  240   2HB   ALA  31           HB3      ALA  31  60.687  12.580  -1.077
  241   3HB   ALA  31           HB2      ALA  31  60.121  11.137  -1.919
  242    H    GLU  32           HN       GLU  32  59.643  14.361  -0.266
  243    HA   GLU  32           HA       GLU  32  59.115  16.890  -1.790
  244   1HB   GLU  32           HB2      GLU  32  59.159  16.224   1.171
  245   2HB   GLU  32           HB1      GLU  32  58.925  17.850   0.530
  246   1HG   GLU  32           HG2      GLU  32  56.752  17.441   0.099
  247   2HG   GLU  32           HG1      GLU  32  57.152  15.965  -0.781
  248    H    ASP  33           HN       ASP  33  61.321  15.460   0.649
  249    HA   ASP  33           HA       ASP  33  63.370  17.512   0.041
  250   1HB   ASP  33           HB2      ASP  33  64.515  16.415   1.956
  251   2HB   ASP  33           HB1      ASP  33  62.854  16.852   2.359
  252    H    GLY  34           HN       GLY  34  62.587  14.226  -0.773
  253   1HA   GLY  34           HA2      GLY  34  63.712  13.270  -2.764
  254   2HA   GLY  34           HA1      GLY  34  65.212  14.001  -2.190
  255    H    CYS  35           HN       CYS  35  62.698  11.759  -0.975
  256    HA   CYS  35           HA       CYS  35  64.894   9.953  -0.055
  257   1HB   CYS  35           HB2      CYS  35  62.767  11.364   1.503
  258   2HB   CYS  35           HB1      CYS  35  63.195   9.728   2.003
  259    HG   CYS  35           HG       CYS  35  64.752  11.785   3.038
  260    H    ILE  36           HN       ILE  36  63.863   7.772   0.641
  261    HA   ILE  36           HA       ILE  36  61.595   7.140  -1.222
  262    HB   ILE  36           HB       ILE  36  63.534   5.080  -0.216
  263   1HG1  ILE  36          HG12      ILE  36  64.148   7.033  -2.463
  264   2HG1  ILE  36          HG11      ILE  36  64.957   7.008  -0.896
  265   1HG2  ILE  36          HG22      ILE  36  61.502   5.324  -2.225
  266   2HG2  ILE  36          HG21      ILE  36  63.043   4.999  -3.021
  267   3HG2  ILE  36          HG23      ILE  36  62.438   3.896  -1.783
  268   1HD1  ILE  36          HD12      ILE  36  64.904   4.378  -2.187
  269   2HD1  ILE  36          HD11      ILE  36  65.760   5.592  -3.139
  270   3HD1  ILE  36          HD13      ILE  36  66.263   5.255  -1.482
  271    H    SER  37           HN       SER  37  60.022   7.565   0.481
  272    HA   SER  37           HA       SER  37  60.024   6.573   3.111
  273   1HB   SER  37           HB2      SER  37  57.571   6.610   1.362
  274   2HB   SER  37           HB1      SER  37  57.728   7.103   3.046
  275    HG   SER  37           HG       SER  37  58.871   8.900   2.383
  276    H    THR  38           HN       THR  38  59.453   4.590   4.042
  277    HA   THR  38           HA       THR  38  59.899   2.160   2.700
  278    HB   THR  38           HB       THR  38  59.834   2.538   5.154
  279    HG1  THR  38           HG1      THR  38  58.805   0.595   5.630
  280   1HG2  THR  38          HG22      THR  38  57.204   3.498   4.478
  281   2HG2  THR  38          HG21      THR  38  57.080   2.220   5.686
  282   3HG2  THR  38          HG23      THR  38  58.073   3.641   6.006
  283    H    LYS  39           HN       LYS  39  57.073   4.188   2.712
  284    HA   LYS  39           HA       LYS  39  55.011   2.349   2.093
  285   1HB   LYS  39           HB2      LYS  39  55.490   5.147   2.158
  286   2HB   LYS  39           HB1      LYS  39  54.785   4.795   0.581
  287   1HG   LYS  39           HG2      LYS  39  53.449   3.318   2.707
  288   2HG   LYS  39           HG1      LYS  39  53.388   5.060   2.983
  289   1HD   LYS  39           HD2      LYS  39  52.501   5.404   0.715
  290   2HD   LYS  39           HD1      LYS  39  52.588   3.669   0.410
  291   1HE   LYS  39           HE2      LYS  39  50.981   3.254   2.243
  292   2HE   LYS  39           HE1      LYS  39  50.888   5.000   2.551
  293   1HZ   LYS  39           HZ1      LYS  39  50.438   5.124   0.027
  294   2HZ   LYS  39           HZ3      LYS  39  50.005   3.491   0.175
  295   3HZ   LYS  39           HZ2      LYS  39  49.168   4.675   1.061
  296    H    GLU  40           HN       GLU  40  57.397   3.928  -0.033
  297    HA   GLU  40           HA       GLU  40  56.300   2.603  -2.429
  298   1HB   GLU  40           HB2      GLU  40  58.695   4.382  -1.867
  299   2HB   GLU  40           HB1      GLU  40  58.237   3.834  -3.480
  300   1HG   GLU  40           HG2      GLU  40  56.702   5.471  -3.632
  301   2HG   GLU  40           HG1      GLU  40  55.914   4.896  -2.163
  302    H    LEU  41           HN       LEU  41  58.681   1.968   0.004
  303    HA   LEU  41           HA       LEU  41  60.693   0.510  -1.217
  304   1HB   LEU  41           HB2      LEU  41  60.264   0.957   1.240
  305   2HB   LEU  41           HB1      LEU  41  59.125  -0.390   1.216
  306    HG   LEU  41           HG       LEU  41  61.467  -0.994   1.977
  307   1HD1  LEU  41          HD13      LEU  41  59.675  -2.489   0.716
  308   2HD1  LEU  41          HD12      LEU  41  60.887  -2.471  -0.566
  309   3HD1  LEU  41          HD11      LEU  41  61.298  -3.107   1.027
  310   1HD2  LEU  41          HD21      LEU  41  62.362   0.561   0.009
  311   2HD2  LEU  41          HD23      LEU  41  63.277  -0.853   0.532
  312   3HD2  LEU  41          HD22      LEU  41  62.266  -0.942  -0.909
  313    H    GLY  42           HN       GLY  42  57.641  -1.000  -0.069
  314   1HA   GLY  42           HA2      GLY  42  57.928  -3.536  -1.131
  315   2HA   GLY  42           HA1      GLY  42  56.366  -2.715  -1.083
  316    H    LYS  43           HN       LYS  43  56.882  -0.620  -2.883
  317    HA   LYS  43           HA       LYS  43  56.634  -2.035  -5.433
  318   1HB   LYS  43           HB2      LYS  43  56.666   0.871  -4.561
  319   2HB   LYS  43           HB1      LYS  43  56.383   0.368  -6.229
  320   1HG   LYS  43           HG2      LYS  43  54.511  -1.112  -5.331
  321   2HG   LYS  43           HG1      LYS  43  54.699  -0.263  -3.797
  322   1HD   LYS  43           HD2      LYS  43  54.560   1.861  -5.448
  323   2HD   LYS  43           HD1      LYS  43  53.597   0.714  -6.379
  324   1HE   LYS  43           HE2      LYS  43  53.130   1.432  -3.461
  325   2HE   LYS  43           HE1      LYS  43  52.140   1.969  -4.832
  326   1HZ   LYS  43           HZ1      LYS  43  52.146  -0.573  -5.368
  327   2HZ   LYS  43           HZ3      LYS  43  52.441  -0.726  -3.705
  328   3HZ   LYS  43           HZ2      LYS  43  51.038   0.064  -4.248
  329    H    VAL  44           HN       VAL  44  59.031   0.047  -3.833
  330    HA   VAL  44           HA       VAL  44  60.831   0.392  -6.021
  331    HB   VAL  44           HB       VAL  44  61.245   0.190  -3.019
  332   1HG1  VAL  44          HG13      VAL  44  63.092   0.811  -5.279
  333   2HG1  VAL  44          HG12      VAL  44  63.230   1.801  -3.825
  334   3HG1  VAL  44          HG11      VAL  44  63.435   0.052  -3.724
  335   1HG2  VAL  44          HG21      VAL  44  60.152   2.210  -4.824
  336   2HG2  VAL  44          HG23      VAL  44  60.102   2.139  -3.063
  337   3HG2  VAL  44          HG22      VAL  44  61.504   2.831  -3.876
  338    H    MET  45           HN       MET  45  60.430  -2.220  -3.660
  339    HA   MET  45           HA       MET  45  62.803  -3.691  -4.517
  340   1HB   MET  45           HB2      MET  45  60.381  -4.196  -2.785
  341   2HB   MET  45           HB1      MET  45  61.535  -5.488  -3.123
  342   1HG   MET  45           HG2      MET  45  62.524  -2.818  -2.157
  343   2HG   MET  45           HG1      MET  45  61.887  -3.988  -1.003
  344   1HE   MET  45           HE2      MET  45  63.820  -3.887   0.209
  345   2HE   MET  45           HE1      MET  45  65.317  -4.772  -0.076
  346   3HE   MET  45           HE3      MET  45  65.111  -3.140  -0.729
  347    H    ARG  46           HN       ARG  46  59.432  -3.540  -5.467
  348    HA   ARG  46           HA       ARG  46  59.333  -6.076  -6.869
  349   1HB   ARG  46           HB2      ARG  46  57.723  -3.575  -6.599
  350   2HB   ARG  46           HB1      ARG  46  57.378  -4.609  -7.986
  351   1HG   ARG  46           HG2      ARG  46  57.686  -6.180  -5.559
  352   2HG   ARG  46           HG1      ARG  46  56.428  -4.956  -5.372
  353   1HD   ARG  46           HD2      ARG  46  55.461  -5.734  -7.583
  354   2HD   ARG  46           HD1      ARG  46  56.602  -7.092  -7.521
  355    HE   ARG  46           HE       ARG  46  55.571  -7.539  -5.192
  356   1HH1  ARG  46          HH11      ARG  46  53.672  -5.131  -5.679
  357   2HH1  ARG  46          HH12      ARG  46  52.209  -5.971  -6.067
  358   1HH2  ARG  46          HH21      ARG  46  53.783  -9.014  -6.598
  359   2HH2  ARG  46          HH22      ARG  46  52.272  -8.170  -6.584
  360    H    MET  47           HN       MET  47  59.708  -2.686  -7.981
  361    HA   MET  47           HA       MET  47  60.143  -3.415 -10.751
  362   1HB   MET  47           HB2      MET  47  60.776  -1.006 -10.898
  363   2HB   MET  47           HB1      MET  47  59.267  -1.244 -10.018
  364   1HG   MET  47           HG2      MET  47  60.257   0.057  -8.433
  365   2HG   MET  47           HG1      MET  47  61.087  -1.435  -7.990
  366   1HE   MET  47           HE2      MET  47  60.812   1.593  -9.864
  367   2HE   MET  47           HE1      MET  47  62.399   2.353  -9.825
  368   3HE   MET  47           HE3      MET  47  61.950   1.306 -11.178
  369    H    LEU  48           HN       LEU  48  62.264  -2.893  -7.966
  370    HA   LEU  48           HA       LEU  48  64.738  -2.726  -9.446
  371   1HB   LEU  48           HB2      LEU  48  63.792  -3.075  -6.651
  372   2HB   LEU  48           HB1      LEU  48  65.433  -3.632  -6.983
  373    HG   LEU  48           HG       LEU  48  64.354  -0.874  -7.641
  374   1HD1  LEU  48          HD12      LEU  48  65.295  -1.955  -5.194
  375   2HD1  LEU  48          HD11      LEU  48  66.588  -0.936  -5.826
  376   3HD1  LEU  48          HD13      LEU  48  64.980  -0.261  -5.568
  377   1HD2  LEU  48          HD23      LEU  48  66.452  -2.289  -8.811
  378   2HD2  LEU  48          HD22      LEU  48  66.239  -0.540  -8.847
  379   3HD2  LEU  48          HD21      LEU  48  67.248  -1.279  -7.605
  380    H    GLY  49           HN       GLY  49  62.692  -5.380  -8.475
  381   1HA   GLY  49           HA2      GLY  49  63.023  -7.517  -9.707
  382   2HA   GLY  49           HA1      GLY  49  64.760  -7.276  -9.516
  383    H    GLN  50           HN       GLN  50  62.787  -6.431  -6.818
  384    HA   GLN  50           HA       GLN  50  63.793  -8.854  -5.376
  385   1HB   GLN  50           HB2      GLN  50  62.902  -6.107  -4.439
  386   2HB   GLN  50           HB1      GLN  50  63.495  -7.385  -3.378
  387   1HG   GLN  50           HG2      GLN  50  65.213  -6.705  -5.708
  388   2HG   GLN  50           HG1      GLN  50  65.114  -5.494  -4.428
  389   1HE2  GLN  50          HE22      GLN  50  67.600  -7.305  -2.697
  390   2HE2  GLN  50          HE21      GLN  50  67.129  -5.824  -3.381
  391    H    ASN  51           HN       ASN  51  62.247  -9.446  -3.470
  392    HA   ASN  51           HA       ASN  51  59.375  -9.044  -4.131
  393   1HB   ASN  51           HB2      ASN  51  60.578 -11.797  -3.772
  394   2HB   ASN  51           HB1      ASN  51  58.986 -11.385  -4.409
  395   1HD2  ASN  51          HD22      ASN  51  60.291 -10.388  -7.631
  396   2HD2  ASN  51          HD21      ASN  51  59.066 -10.011  -6.519
  397    HA   PRO  52           HA       PRO  52  60.645  -9.518   0.389
  398   1HB   PRO  52           HB2      PRO  52  60.342  -6.910   1.157
  399   2HB   PRO  52           HB1      PRO  52  61.876  -7.568   0.557
  400   1HG   PRO  52           HG2      PRO  52  59.848  -5.915  -0.851
  401   2HG   PRO  52           HG1      PRO  52  61.614  -5.884  -0.972
  402   1HD   PRO  52           HD2      PRO  52  59.973  -7.071  -2.817
  403   2HD   PRO  52           HD1      PRO  52  61.663  -7.546  -2.536
  404    H    THR  53           HN       THR  53  59.139  -9.016   2.267
  405    HA   THR  53           HA       THR  53  56.317  -9.016   1.307
  406    HB   THR  53           HB       THR  53  56.233  -9.685   3.934
  407    HG1  THR  53           HG1      THR  53  58.139 -10.939   4.297
  408   1HG2  THR  53          HG21      THR  53  56.068 -10.992   1.464
  409   2HG2  THR  53          HG23      THR  53  57.213 -11.951   2.401
  410   3HG2  THR  53          HG22      THR  53  55.594 -11.648   3.031
  411    HA   PRO  54           HA       PRO  54  55.317  -5.174   3.164
  412   1HB   PRO  54           HB2      PRO  54  53.077  -5.704   4.655
  413   2HB   PRO  54           HB1      PRO  54  53.068  -5.644   2.880
  414   1HG   PRO  54           HG2      PRO  54  53.183  -8.012   4.690
  415   2HG   PRO  54           HG1      PRO  54  52.262  -7.780   3.194
  416   1HD   PRO  54           HD2      PRO  54  54.563  -9.200   3.280
  417   2HD   PRO  54           HD1      PRO  54  54.066  -8.267   1.849
  418    H    GLU  55           HN       GLU  55  55.671  -7.919   5.326
  419    HA   GLU  55           HA       GLU  55  55.802  -6.374   7.791
  420   1HB   GLU  55           HB2      GLU  55  55.766  -9.089   6.905
  421   2HB   GLU  55           HB1      GLU  55  57.197  -8.881   7.916
  422   1HG   GLU  55           HG2      GLU  55  55.947  -8.259   9.791
  423   2HG   GLU  55           HG1      GLU  55  54.560  -7.762   8.821
  424    H    GLU  56           HN       GLU  56  58.243  -7.891   5.658
  425    HA   GLU  56           HA       GLU  56  60.568  -7.108   7.103
  426   1HB   GLU  56           HB2      GLU  56  59.788  -8.160   4.501
  427   2HB   GLU  56           HB1      GLU  56  61.173  -7.076   4.363
  428   1HG   GLU  56           HG2      GLU  56  62.492  -8.369   5.828
  429   2HG   GLU  56           HG1      GLU  56  61.088  -9.209   6.491
  430    H    LEU  57           HN       LEU  57  58.621  -5.397   4.688
  431    HA   LEU  57           HA       LEU  57  60.121  -3.245   3.896
  432   1HB   LEU  57           HB2      LEU  57  57.330  -3.836   4.473
  433   2HB   LEU  57           HB1      LEU  57  57.685  -2.127   4.732
  434    HG   LEU  57           HG       LEU  57  58.947  -2.341   2.432
  435   1HD1  LEU  57          HD13      LEU  57  57.032  -4.685   2.436
  436   2HD1  LEU  57          HD12      LEU  57  57.654  -3.960   0.954
  437   3HD1  LEU  57          HD11      LEU  57  58.763  -4.711   2.101
  438   1HD2  LEU  57          HD22      LEU  57  56.017  -2.058   3.006
  439   2HD2  LEU  57          HD21      LEU  57  57.166  -0.846   2.439
  440   3HD2  LEU  57          HD23      LEU  57  56.555  -2.068   1.326
  441    H    GLN  58           HN       GLN  58  57.958  -2.597   6.633
  442    HA   GLN  58           HA       GLN  58  59.420  -0.440   7.703
  443   1HB   GLN  58           HB2      GLN  58  57.078  -1.086   8.218
  444   2HB   GLN  58           HB1      GLN  58  57.674  -2.481   9.120
  445   1HG   GLN  58           HG2      GLN  58  57.122  -0.480  10.557
  446   2HG   GLN  58           HG1      GLN  58  58.780  -1.057  10.725
  447   1HE2  GLN  58          HE22      GLN  58  60.229   1.877   9.351
  448   2HE2  GLN  58          HE21      GLN  58  60.506   0.283   9.868
  449    H    GLU  59           HN       GLU  59  59.539  -3.888   8.674
  450    HA   GLU  59           HA       GLU  59  61.327  -3.738  10.822
  451   1HB   GLU  59           HB2      GLU  59  60.456  -5.686   8.800
  452   2HB   GLU  59           HB1      GLU  59  62.060  -6.026   9.450
  453   1HG   GLU  59           HG2      GLU  59  60.377  -5.249  11.624
  454   2HG   GLU  59           HG1      GLU  59  59.531  -6.484  10.692
  455    H    MET  60           HN       MET  60  62.368  -4.565   7.488
  456    HA   MET  60           HA       MET  60  65.109  -4.386   7.738
  457   1HB   MET  60           HB2      MET  60  63.233  -4.457   5.703
  458   2HB   MET  60           HB1      MET  60  64.077  -2.938   5.397
  459   1HG   MET  60           HG2      MET  60  65.191  -4.807   4.235
  460   2HG   MET  60           HG1      MET  60  66.241  -4.122   5.476
  461   1HE   MET  60           HE1      MET  60  67.504  -5.139   6.505
  462   2HE   MET  60           HE3      MET  60  66.944  -6.002   7.943
  463   3HE   MET  60           HE2      MET  60  67.709  -6.884   6.624
  464    H    ILE  61           HN       ILE  61  62.972  -1.592   7.042
  465    HA   ILE  61           HA       ILE  61  65.086   0.370   7.253
  466    HB   ILE  61           HB       ILE  61  62.066   0.577   7.491
  467   1HG1  ILE  61          HG12      ILE  61  63.657   1.222   5.029
  468   2HG1  ILE  61          HG11      ILE  61  63.275  -0.462   5.382
  469   1HG2  ILE  61          HG22      ILE  61  64.256   2.552   7.503
  470   2HG2  ILE  61          HG21      ILE  61  62.974   2.900   6.343
  471   3HG2  ILE  61          HG23      ILE  61  62.590   2.717   8.055
  472   1HD1  ILE  61          HD12      ILE  61  60.913   1.094   5.811
  473   2HD1  ILE  61          HD11      ILE  61  61.574   1.518   4.230
  474   3HD1  ILE  61          HD13      ILE  61  61.187  -0.162   4.603
  475    H    ASP  62           HN       ASP  62  62.547  -0.751   9.505
  476    HA   ASP  62           HA       ASP  62  63.052   1.066  11.630
  477   1HB   ASP  62           HB2      ASP  62  61.093  -0.297  11.628
  478   2HB   ASP  62           HB1      ASP  62  62.038  -1.778  11.457
  479    H    GLU  63           HN       GLU  63  64.943  -1.590  10.460
  480    HA   GLU  63           HA       GLU  63  66.509  -1.737  12.996
  481   1HB   GLU  63           HB2      GLU  63  66.316  -3.410  10.479
  482   2HB   GLU  63           HB1      GLU  63  67.515  -3.719  11.735
  483   1HG   GLU  63           HG2      GLU  63  65.214  -3.494  13.213
  484   2HG   GLU  63           HG1      GLU  63  64.617  -4.252  11.736
  485    H    VAL  64           HN       VAL  64  66.711  -0.689   9.645
  486    HA   VAL  64           HA       VAL  64  69.632  -0.202   9.900
  487    HB   VAL  64           HB       VAL  64  67.990  -1.120   7.884
  488   1HG1  VAL  64          HG12      VAL  64  67.123   1.235   7.581
  489   2HG1  VAL  64          HG11      VAL  64  68.758   1.711   7.121
  490   3HG1  VAL  64          HG13      VAL  64  67.871   0.544   6.141
  491   1HG2  VAL  64          HG22      VAL  64  70.699   0.225   7.720
  492   2HG2  VAL  64          HG21      VAL  64  70.377  -1.489   7.979
  493   3HG2  VAL  64          HG23      VAL  64  70.003  -0.746   6.424
  494    H    ASP  65           HN       ASP  65  66.571   1.563   9.464
  495    HA   ASP  65           HA       ASP  65  67.436   4.161   8.967
  496   1HB   ASP  65           HB2      ASP  65  65.089   3.122   9.386
  497   2HB   ASP  65           HB1      ASP  65  65.380   3.511  11.082
  498    H    GLU  66           HN       GLU  66  68.697   5.614  10.084
  499    HA   GLU  66           HA       GLU  66  69.319   4.996  12.956
  500   1HB   GLU  66           HB2      GLU  66  70.952   6.165  10.687
  501   2HB   GLU  66           HB1      GLU  66  71.495   6.184  12.365
  502   1HG   GLU  66           HG2      GLU  66  70.636   3.546  11.888
  503   2HG   GLU  66           HG1      GLU  66  71.563   4.005  10.461
  504    H    ASP  67           HN       ASP  67  67.501   7.025  11.151
  505    HA   ASP  67           HA       ASP  67  68.075   9.392  12.908
  506   1HB   ASP  67           HB2      ASP  67  67.252  10.725  10.987
  507   2HB   ASP  67           HB1      ASP  67  68.614   9.708  10.516
  508    H    GLY  68           HN       GLY  68  66.097   6.921  12.918
  509   1HA   GLY  68           HA2      GLY  68  63.812   6.552  13.378
  510   2HA   GLY  68           HA1      GLY  68  64.024   7.958  14.423
  511    H    SER  69           HN       SER  69  64.216   7.879  10.875
  512    HA   SER  69           HA       SER  69  62.119   9.993  10.794
  513   1HB   SER  69           HB2      SER  69  63.127  10.586   8.740
  514   2HB   SER  69           HB1      SER  69  64.490  10.046   9.717
  515    HG   SER  69           HG       SER  69  64.488   9.084   7.642
  516    H    GLY  70           HN       GLY  70  62.812   6.717   9.642
  517   1HA   GLY  70           HA2      GLY  70  61.125   5.089   9.123
  518   2HA   GLY  70           HA1      GLY  70  59.944   6.392   8.990
  519    H    THR  71           HN       THR  71  62.325   7.709   7.339
  520    HA   THR  71           HA       THR  71  61.413   6.531   4.743
  521    HB   THR  71           HB       THR  71  62.163   8.771   3.879
  522    HG1  THR  71           HG1      THR  71  63.676   9.066   5.643
  523   1HG2  THR  71          HG23      THR  71  59.824   8.198   4.864
  524   2HG2  THR  71          HG22      THR  71  60.330   9.194   6.228
  525   3HG2  THR  71          HG21      THR  71  60.236   9.893   4.612
  526    H    VAL  72           HN       VAL  72  63.022   6.060   3.129
  527    HA   VAL  72           HA       VAL  72  65.773   5.665   4.244
  528    HB   VAL  72           HB       VAL  72  64.698   4.376   1.744
  529   1HG1  VAL  72          HG12      VAL  72  67.046   4.036   2.411
  530   2HG1  VAL  72          HG11      VAL  72  66.514   3.443   3.984
  531   3HG1  VAL  72          HG13      VAL  72  66.134   2.531   2.524
  532   1HG2  VAL  72          HG21      VAL  72  64.023   3.603   4.601
  533   2HG2  VAL  72          HG23      VAL  72  62.886   4.022   3.318
  534   3HG2  VAL  72          HG22      VAL  72  63.816   2.526   3.220
  535    H    ASP  73           HN       ASP  73  67.277   7.092   3.478
  536    HA   ASP  73           HA       ASP  73  66.718   8.682   1.048
  537   1HB   ASP  73           HB2      ASP  73  67.563   9.855   2.957
  538   2HB   ASP  73           HB1      ASP  73  68.830   8.657   3.217
  539    H    PHE  74           HN       PHE  74  69.928   7.579   1.988
  540    HA   PHE  74           HA       PHE  74  70.105   5.937  -0.509
  541   1HB   PHE  74           HB2      PHE  74  70.926   8.358  -0.704
  542   2HB   PHE  74           HB1      PHE  74  72.206   7.908   0.423
  543    HD1  PHE  74           HD1      PHE  74  70.674   6.987  -2.855
  544    HD2  PHE  74           HD2      PHE  74  74.137   6.767  -0.324
  545    HE1  PHE  74           HE1      PHE  74  71.974   5.995  -4.720
  546    HE2  PHE  74           HE2      PHE  74  75.436   5.776  -2.190
  547    HZ   PHE  74           HZ       PHE  74  74.355   5.389  -4.387
  548    H    ASP  75           HN       ASP  75  72.156   6.985   2.248
  549    HA   ASP  75           HA       ASP  75  73.749   4.658   2.430
  550   1HB   ASP  75           HB2      ASP  75  73.185   7.058   3.890
  551   2HB   ASP  75           HB1      ASP  75  73.211   5.715   5.034
  552    H    GLU  76           HN       GLU  76  70.630   5.403   4.004
  553    HA   GLU  76           HA       GLU  76  70.461   2.933   5.490
  554   1HB   GLU  76           HB2      GLU  76  68.284   4.803   4.496
  555   2HB   GLU  76           HB1      GLU  76  68.160   3.688   5.855
  556   1HG   GLU  76           HG2      GLU  76  69.977   4.908   7.013
  557   2HG   GLU  76           HG1      GLU  76  70.065   6.039   5.663
  558    H    PHE  77           HN       PHE  77  69.224   3.979   2.316
  559    HA   PHE  77           HA       PHE  77  67.627   1.705   1.706
  560   1HB   PHE  77           HB2      PHE  77  67.606   3.807   0.455
  561   2HB   PHE  77           HB1      PHE  77  69.283   3.561  -0.035
  562    HD1  PHE  77           HD2      PHE  77  66.158   1.471   0.028
  563    HD2  PHE  77           HD1      PHE  77  69.525   2.878  -2.240
  564    HE1  PHE  77           HE2      PHE  77  65.396   0.145  -1.925
  565    HE2  PHE  77           HE1      PHE  77  68.762   1.552  -4.194
  566    HZ   PHE  77           HZ       PHE  77  66.698   0.185  -4.036
  567    H    LEU  78           HN       LEU  78  71.058   2.362   0.902
  568    HA   LEU  78           HA       LEU  78  71.549  -0.170  -0.365
  569   1HB   LEU  78           HB2      LEU  78  73.061   2.161   0.689
  570   2HB   LEU  78           HB1      LEU  78  73.979   0.667   0.501
  571    HG   LEU  78           HG       LEU  78  72.275   1.921  -1.670
  572   1HD1  LEU  78          HD11      LEU  78  74.986   2.463  -0.760
  573   2HD1  LEU  78          HD13      LEU  78  74.968   1.908  -2.434
  574   3HD1  LEU  78          HD12      LEU  78  74.021   3.320  -1.962
  575   1HD2  LEU  78          HD21      LEU  78  73.077  -0.696  -1.382
  576   2HD2  LEU  78          HD23      LEU  78  72.734   0.082  -2.927
  577   3HD2  LEU  78          HD22      LEU  78  74.393  -0.015  -2.336
  578    H    VAL  79           HN       VAL  79  72.538   0.992   2.890
  579    HA   VAL  79           HA       VAL  79  73.658  -1.342   3.919
  580    HB   VAL  79           HB       VAL  79  71.825   0.693   5.228
  581   1HG1  VAL  79          HG12      VAL  79  72.136  -1.414   6.559
  582   2HG1  VAL  79          HG11      VAL  79  73.876  -1.131   6.517
  583   3HG1  VAL  79          HG13      VAL  79  72.817   0.014   7.339
  584   1HG2  VAL  79          HG23      VAL  79  74.282   1.050   4.012
  585   2HG2  VAL  79          HG22      VAL  79  73.615   2.093   5.268
  586   3HG2  VAL  79          HG21      VAL  79  74.726   0.793   5.698
  587    H    MET  80           HN       MET  80  70.276  -0.675   3.259
  588    HA   MET  80           HA       MET  80  69.145  -2.793   4.866
  589   1HB   MET  80           HB2      MET  80  68.353  -0.773   2.925
  590   2HB   MET  80           HB1      MET  80  67.485  -2.286   2.657
  591   1HG   MET  80           HG2      MET  80  66.477  -2.240   4.750
  592   2HG   MET  80           HG1      MET  80  67.753  -1.250   5.457
  593   1HE   MET  80           HE3      MET  80  65.586  -1.174   2.299
  594   2HE   MET  80           HE2      MET  80  64.375  -1.353   3.567
  595   3HE   MET  80           HE1      MET  80  64.424   0.125   2.610
  596    H    MET  81           HN       MET  81  69.988  -2.568   1.391
  597    HA   MET  81           HA       MET  81  69.221  -5.247   0.711
  598   1HB   MET  81           HB2      MET  81  70.477  -2.928  -0.456
  599   2HB   MET  81           HB1      MET  81  71.381  -4.372  -0.915
  600   1HG   MET  81           HG2      MET  81  69.443  -5.407  -1.854
  601   2HG   MET  81           HG1      MET  81  68.368  -4.214  -1.125
  602   1HE   MET  81           HE2      MET  81  67.404  -2.649  -2.091
  603   2HE   MET  81           HE1      MET  81  67.747  -1.781  -3.585
  604   3HE   MET  81           HE3      MET  81  67.182  -3.457  -3.641
  605    H    VAL  82           HN       VAL  82  72.513  -3.904   1.232
  606    HA   VAL  82           HA       VAL  82  73.995  -6.274   1.165
  607    HB   VAL  82           HB       VAL  82  74.931  -4.018   1.352
  608   1HG1  VAL  82          HG11      VAL  82  73.142  -3.181   2.909
  609   2HG1  VAL  82          HG13      VAL  82  73.941  -4.054   4.218
  610   3HG1  VAL  82          HG12      VAL  82  74.777  -2.733   3.399
  611   1HG2  VAL  82          HG21      VAL  82  75.965  -6.233   2.520
  612   2HG2  VAL  82          HG23      VAL  82  76.790  -4.673   2.522
  613   3HG2  VAL  82          HG22      VAL  82  75.853  -5.177   3.929
  614    H    ARG  83           HN       ARG  83  72.213  -4.889   3.935
  615    HA   ARG  83           HA       ARG  83  72.961  -6.681   5.968
  616   1HB   ARG  83           HB2      ARG  83  70.719  -4.898   5.283
  617   2HB   ARG  83           HB1      ARG  83  70.270  -6.205   6.380
  618   1HG   ARG  83           HG2      ARG  83  72.509  -5.511   7.608
  619   2HG   ARG  83           HG1      ARG  83  72.226  -3.974   6.791
  620   1HD   ARG  83           HD2      ARG  83  70.653  -3.435   8.326
  621   2HD   ARG  83           HD1      ARG  83  69.743  -4.906   7.928
  622    HE   ARG  83           HE       ARG  83  71.194  -6.127   9.543
  623   1HH1  ARG  83          HH11      ARG  83  72.712  -3.216   9.348
  624   2HH1  ARG  83          HH12      ARG  83  72.673  -2.845  11.039
  625   1HH2  ARG  83          HH21      ARG  83  70.500  -5.432  11.828
  626   2HH2  ARG  83          HH22      ARG  83  71.421  -4.100  12.444
  627    H    CYS  84           HN       CYS  84  70.445  -7.061   3.466
  628    HA   CYS  84           HA       CYS  84  70.165  -9.934   4.282
  629   1HB   CYS  84           HB2      CYS  84  68.161  -8.512   4.516
  630   2HB   CYS  84           HB1      CYS  84  68.286  -8.051   2.818
  631    HG   CYS  84           HG       CYS  84  67.114 -10.660   3.851
  632    H    MET  85           HN       MET  85  72.353  -9.410   2.685
  633    HA   MET  85           HA       MET  85  71.476 -10.023  -0.110
  634   1HB   MET  85           HB2      MET  85  73.657  -8.534   1.200
  635   2HB   MET  85           HB1      MET  85  74.185  -9.534  -0.153
  636   1HG   MET  85           HG2      MET  85  72.092  -8.488  -1.362
  637   2HG   MET  85           HG1      MET  85  72.266  -7.228  -0.142
  638   1HE   MET  85           HE3      MET  85  72.203  -5.915  -2.031
  639   2HE   MET  85           HE2      MET  85  73.591  -4.941  -1.550
  640   3HE   MET  85           HE1      MET  85  73.491  -5.570  -3.192
  641    H    LYS  86           HN       LYS  86  74.563 -10.784   1.459
  642    HA   LYS  86           HA       LYS  86  73.989 -13.699   1.036
  643   1HB   LYS  86           HB2      LYS  86  75.695 -12.084  -0.421
  644   2HB   LYS  86           HB1      LYS  86  76.780 -12.809   0.767
  645   1HG   LYS  86           HG2      LYS  86  76.767 -14.735  -0.390
  646   2HG   LYS  86           HG1      LYS  86  75.019 -14.852  -0.179
  647   1HD   LYS  86           HD2      LYS  86  74.770 -14.479  -2.383
  648   2HD   LYS  86           HD1      LYS  86  75.451 -12.868  -2.151
  649   1HE   LYS  86           HE2      LYS  86  77.349 -15.185  -2.319
  650   2HE   LYS  86           HE1      LYS  86  76.621 -14.573  -3.817
  651   1HZ   LYS  86           HZ3      LYS  86  77.187 -12.282  -2.719
  652   2HZ   LYS  86           HZ2      LYS  86  78.365 -13.194  -1.901
  653   3HZ   LYS  86           HZ1      LYS  86  78.365 -13.128  -3.598
  654    H    ASP  87           HN       ASP  87  75.674 -11.215   2.909
  655    HA   ASP  87           HA       ASP  87  76.914 -13.095   4.764
  656   1HB   ASP  87           HB2      ASP  87  77.654 -11.075   5.840
  657   2HB   ASP  87           HB1      ASP  87  77.664 -10.745   4.106
  658    H    ASP  88           HN       ASP  88  76.366 -12.895   7.178
  659    HA   ASP  88           HA       ASP  88  74.796 -13.115   8.932
  660   1HB   ASP  88           HB2      ASP  88  73.981 -10.927   7.185
  661   2HB   ASP  88           HB1      ASP  88  72.590 -11.677   7.968
  662    H    SER  89           HN       SER  89  72.616 -14.106   9.381
  663    HA   SER  89           HA       SER  89  71.665 -15.780   7.077
  664   1HB   SER  89           HB2      SER  89  71.335 -17.549   8.808
  665   2HB   SER  89           HB1      SER  89  73.018 -17.045   8.685
  666    HG   SER  89           HG       SER  89  71.482 -17.027  10.817
   
  No H/Q in entry =         666
  Start of MODEL   27
    1   1H    MET   1           HT2      MET   1  80.633   1.386  19.166
    2   2H    MET   1           HT1      MET   1  81.904   0.742  20.090
    3   3H    MET   1           HT3      MET   1  82.088   2.246  19.328
    4    HA   MET   1           HA       MET   1  82.477   1.342  17.281
    5   1HB   MET   1           HB2      MET   1  83.216  -0.661  19.428
    6   2HB   MET   1           HB1      MET   1  83.762  -0.832  17.760
    7   1HG   MET   1           HG2      MET   1  84.289   1.842  18.402
    8   2HG   MET   1           HG1      MET   1  84.757   0.937  19.842
    9   1HE   MET   1           HE1      MET   1  85.799   2.503  17.006
   10   2HE   MET   1           HE3      MET   1  87.091   2.470  18.215
   11   3HE   MET   1           HE2      MET   1  87.372   1.822  16.600
   12    H    ASP   2           HN       ASP   2  80.688   0.857  15.989
   13    HA   ASP   2           HA       ASP   2  79.809  -1.954  15.913
   14   1HB   ASP   2           HB2      ASP   2  78.497  -0.627  17.703
   15   2HB   ASP   2           HB1      ASP   2  77.752   0.219  16.344
   16    H    ASP   3           HN       ASP   3  81.170  -0.641  13.919
   17    HA   ASP   3           HA       ASP   3  79.177   0.434  11.996
   18   1HB   ASP   3           HB2      ASP   3  82.162   0.359  12.305
   19   2HB   ASP   3           HB1      ASP   3  81.483   0.637  10.701
   20    H    ILE   4           HN       ILE   4  81.927  -1.246  10.728
   21    HA   ILE   4           HA       ILE   4  82.120  -3.216   9.448
   22    HB   ILE   4           HB       ILE   4  79.645  -4.040  10.994
   23   1HG1  ILE   4          HG12      ILE   4  82.535  -4.392  11.833
   24   2HG1  ILE   4          HG11      ILE   4  81.522  -3.072  12.419
   25   1HG2  ILE   4          HG21      ILE   4  81.125  -5.339   9.024
   26   2HG2  ILE   4          HG23      ILE   4  81.760  -5.998  10.532
   27   3HG2  ILE   4          HG22      ILE   4  80.036  -6.109  10.178
   28   1HD1  ILE   4          HD11      ILE   4  80.156  -5.633  12.628
   29   2HD1  ILE   4          HD13      ILE   4  81.684  -5.643  13.508
   30   3HD1  ILE   4          HD12      ILE   4  80.461  -4.426  13.878
   31    H    TYR   5           HN       TYR   5  78.578  -2.865   9.868
   32    HA   TYR   5           HA       TYR   5  77.767  -3.630   7.310
   33   1HB   TYR   5           HB2      TYR   5  76.767  -1.767   9.429
   34   2HB   TYR   5           HB1      TYR   5  75.931  -1.778   7.876
   35    HD1  TYR   5           HD1      TYR   5  76.827  -3.779  10.844
   36    HD2  TYR   5           HD2      TYR   5  74.718  -3.740   7.103
   37    HE1  TYR   5           HE1      TYR   5  75.667  -5.878  11.477
   38    HE2  TYR   5           HE2      TYR   5  73.556  -5.837   7.735
   39    HH   TYR   5           HH       TYR   5  73.067  -6.927  10.432
   40    H    LYS   6           HN       LYS   6  78.384  -0.245   8.351
   41    HA   LYS   6           HA       LYS   6  78.070   1.062   5.898
   42   1HB   LYS   6           HB2      LYS   6  79.544   2.744   6.876
   43   2HB   LYS   6           HB1      LYS   6  78.563   2.043   8.164
   44   1HG   LYS   6           HG2      LYS   6  80.467   1.529   9.249
   45   2HG   LYS   6           HG1      LYS   6  80.834   0.389   7.957
   46   1HD   LYS   6           HD2      LYS   6  81.716   2.480   6.677
   47   2HD   LYS   6           HD1      LYS   6  81.757   3.237   8.269
   48   1HE   LYS   6           HE2      LYS   6  82.967   0.511   8.022
   49   2HE   LYS   6           HE1      LYS   6  83.868   1.882   7.345
   50   1HZ   LYS   6           HZ2      LYS   6  82.615   2.323   9.930
   51   2HZ   LYS   6           HZ1      LYS   6  83.930   1.248   9.929
   52   3HZ   LYS   6           HZ3      LYS   6  84.132   2.832   9.359
   53    H    ALA   7           HN       ALA   7  80.603  -1.123   6.901
   54    HA   ALA   7           HA       ALA   7  82.482  -0.362   4.782
   55   1HB   ALA   7           HB2      ALA   7  82.444  -1.843   7.207
   56   2HB   ALA   7           HB1      ALA   7  82.919  -2.969   5.935
   57   3HB   ALA   7           HB3      ALA   7  83.843  -1.488   6.192
   58    H    ALA   8           HN       ALA   8  79.919  -2.730   5.264
   59    HA   ALA   8           HA       ALA   8  80.572  -4.500   3.094
   60   1HB   ALA   8           HB2      ALA   8  78.999  -4.910   5.009
   61   2HB   ALA   8           HB1      ALA   8  77.874  -3.765   4.280
   62   3HB   ALA   8           HB3      ALA   8  78.276  -5.263   3.440
   63    H    VAL   9           HN       VAL   9  78.785  -1.459   3.295
   64    HA   VAL   9           HA       VAL   9  77.661  -1.567   0.625
   65    HB   VAL   9           HB       VAL   9  78.250   0.713   2.544
   66   1HG1  VAL   9          HG13      VAL   9  77.077   0.609  -0.145
   67   2HG1  VAL   9          HG12      VAL   9  76.029   1.385   1.042
   68   3HG1  VAL   9          HG11      VAL   9  77.662   1.997   0.773
   69   1HG2  VAL   9          HG23      VAL   9  76.047  -1.290   2.257
   70   2HG2  VAL   9          HG22      VAL   9  76.737  -0.587   3.720
   71   3HG2  VAL   9          HG21      VAL   9  75.613   0.351   2.736
   72    H    GLU  10           HN       GLU  10  80.583  -0.099   2.049
   73    HA   GLU  10           HA       GLU  10  81.461   1.236  -0.352
   74   1HB   GLU  10           HB2      GLU  10  82.155   1.084   2.336
   75   2HB   GLU  10           HB1      GLU  10  83.533   0.344   1.519
   76   1HG   GLU  10           HG2      GLU  10  83.747   2.304   0.056
   77   2HG   GLU  10           HG1      GLU  10  82.340   3.043   0.820
   78    H    GLN  11           HN       GLN  11  81.758  -2.046   0.847
   79    HA   GLN  11           HA       GLN  11  83.989  -2.960  -0.658
   80   1HB   GLN  11           HB2      GLN  11  81.720  -4.001   0.844
   81   2HB   GLN  11           HB1      GLN  11  82.104  -5.036  -0.532
   82   1HG   GLN  11           HG2      GLN  11  83.965  -5.804   0.478
   83   2HG   GLN  11           HG1      GLN  11  84.529  -4.163   0.796
   84   1HE2  GLN  11          HE22      GLN  11  83.768  -4.401   4.216
   85   2HE2  GLN  11          HE21      GLN  11  84.688  -3.680   2.985
   86    H    LEU  12           HN       LEU  12  80.856  -1.957  -1.696
   87    HA   LEU  12           HA       LEU  12  80.602  -3.556  -4.081
   88   1HB   LEU  12           HB2      LEU  12  79.558  -0.784  -3.404
   89   2HB   LEU  12           HB1      LEU  12  78.898  -1.868  -4.630
   90    HG   LEU  12           HG       LEU  12  79.112  -2.632  -1.710
   91   1HD1  LEU  12          HD13      LEU  12  76.767  -1.445  -3.225
   92   2HD1  LEU  12          HD12      LEU  12  76.673  -2.137  -1.605
   93   3HD1  LEU  12          HD11      LEU  12  77.636  -0.688  -1.891
   94   1HD2  LEU  12          HD23      LEU  12  78.915  -4.399  -3.535
   95   2HD2  LEU  12          HD22      LEU  12  77.640  -4.428  -2.317
   96   3HD2  LEU  12          HD21      LEU  12  77.329  -3.720  -3.903
   97    H    THR  13           HN       THR  13  80.247  -1.632  -6.104
   98    HA   THR  13           HA       THR  13  83.017  -0.532  -6.460
   99    HB   THR  13           HB       THR  13  82.399  -1.127  -8.955
  100    HG1  THR  13           HG1      THR  13  80.960  -2.820  -9.088
  101   1HG2  THR  13          HG23      THR  13  83.039  -3.257  -6.896
  102   2HG2  THR  13          HG22      THR  13  83.351  -3.378  -8.628
  103   3HG2  THR  13          HG21      THR  13  84.210  -2.180  -7.659
  104    H    GLU  14           HN       GLU  14  83.101   1.364  -7.900
  105    HA   GLU  14           HA       GLU  14  81.195   3.372  -7.399
  106   1HB   GLU  14           HB2      GLU  14  83.440   2.847  -9.244
  107   2HB   GLU  14           HB1      GLU  14  82.292   4.055  -9.825
  108   1HG   GLU  14           HG2      GLU  14  84.172   4.999  -8.424
  109   2HG   GLU  14           HG1      GLU  14  82.557   5.376  -7.823
  110    H    GLU  15           HN       GLU  15  81.344   1.036 -10.080
  111    HA   GLU  15           HA       GLU  15  79.206   2.135 -11.644
  112   1HB   GLU  15           HB2      GLU  15  79.216  -0.171 -12.624
  113   2HB   GLU  15           HB1      GLU  15  80.836   0.513 -12.478
  114   1HG   GLU  15           HG2      GLU  15  81.276  -1.507 -11.490
  115   2HG   GLU  15           HG1      GLU  15  80.639  -0.687 -10.064
  116    H    GLN  16           HN       GLN  16  79.240   0.244  -8.709
  117    HA   GLN  16           HA       GLN  16  76.521  -0.781  -8.939
  118   1HB   GLN  16           HB2      GLN  16  78.150  -1.929  -7.586
  119   2HB   GLN  16           HB1      GLN  16  78.526  -0.457  -6.689
  120   1HG   GLN  16           HG2      GLN  16  77.085  -1.755  -5.280
  121   2HG   GLN  16           HG1      GLN  16  76.099  -0.442  -5.926
  122   1HE2  GLN  16          HE22      GLN  16  74.148  -3.572  -6.410
  123   2HE2  GLN  16          HE21      GLN  16  74.711  -2.682  -5.079
  124    H    LYS  17           HN       LYS  17  78.036   1.866  -7.053
  125    HA   LYS  17           HA       LYS  17  75.480   2.836  -6.042
  126   1HB   LYS  17           HB2      LYS  17  78.357   3.738  -6.056
  127   2HB   LYS  17           HB1      LYS  17  77.094   4.799  -5.432
  128   1HG   LYS  17           HG2      LYS  17  76.844   3.571  -3.547
  129   2HG   LYS  17           HG1      LYS  17  76.874   2.049  -4.438
  130   1HD   LYS  17           HD2      LYS  17  78.894   1.762  -3.431
  131   2HD   LYS  17           HD1      LYS  17  79.475   2.855  -4.689
  132   1HE   LYS  17           HE2      LYS  17  80.185   4.166  -2.960
  133   2HE   LYS  17           HE1      LYS  17  78.474   4.596  -2.764
  134   1HZ   LYS  17           HZ3      LYS  17  79.394   2.049  -1.651
  135   2HZ   LYS  17           HZ2      LYS  17  79.817   3.468  -0.818
  136   3HZ   LYS  17           HZ1      LYS  17  78.182   3.095  -1.092
  137    H    ASN  18           HN       ASN  18  77.453   3.437  -8.867
  138    HA   ASN  18           HA       ASN  18  76.465   6.029  -9.590
  139   1HB   ASN  18           HB2      ASN  18  77.903   3.736 -10.800
  140   2HB   ASN  18           HB1      ASN  18  77.077   4.792 -11.947
  141   1HD2  ASN  18          HD22      ASN  18  80.583   6.040 -10.866
  142   2HD2  ASN  18          HD21      ASN  18  80.069   4.447 -11.150
  143    H    GLU  19           HN       GLU  19  75.285   2.741 -10.258
  144    HA   GLU  19           HA       GLU  19  73.109   3.675 -11.984
  145   1HB   GLU  19           HB2      GLU  19  73.981   1.062 -10.742
  146   2HB   GLU  19           HB1      GLU  19  72.483   1.183 -11.665
  147   1HG   GLU  19           HG2      GLU  19  73.573   1.413 -13.658
  148   2HG   GLU  19           HG1      GLU  19  74.863   2.388 -12.953
  149    H    PHE  20           HN       PHE  20  73.529   2.780  -8.592
  150    HA   PHE  20           HA       PHE  20  70.746   2.570  -7.898
  151   1HB   PHE  20           HB2      PHE  20  73.375   2.982  -6.516
  152   2HB   PHE  20           HB1      PHE  20  71.894   3.215  -5.586
  153    HD1  PHE  20           HD1      PHE  20  73.104   0.800  -8.203
  154    HD2  PHE  20           HD2      PHE  20  71.223   1.345  -4.380
  155    HE1  PHE  20           HE1      PHE  20  72.859  -1.656  -7.973
  156    HE2  PHE  20           HE2      PHE  20  70.978  -1.113  -4.150
  157    HZ   PHE  20           HZ       PHE  20  71.796  -2.613  -5.947
  158    H    LYS  21           HN       LYS  21  72.989   5.298  -8.136
  159    HA   LYS  21           HA       LYS  21  71.494   7.274  -6.745
  160   1HB   LYS  21           HB2      LYS  21  73.873   7.234  -7.832
  161   2HB   LYS  21           HB1      LYS  21  73.038   7.800  -9.280
  162   1HG   LYS  21           HG2      LYS  21  72.859   9.885  -8.445
  163   2HG   LYS  21           HG1      LYS  21  72.161   9.279  -6.943
  164   1HD   LYS  21           HD2      LYS  21  74.206  10.369  -6.336
  165   2HD   LYS  21           HD1      LYS  21  74.524   8.636  -6.246
  166   1HE   LYS  21           HE2      LYS  21  76.388   9.588  -7.434
  167   2HE   LYS  21           HE1      LYS  21  75.371   8.830  -8.675
  168   1HZ   LYS  21           HZ1      LYS  21  75.041  11.653  -7.827
  169   2HZ   LYS  21           HZ3      LYS  21  76.029  11.202  -9.130
  170   3HZ   LYS  21           HZ2      LYS  21  74.360  10.885  -9.182
  171    H    ALA  22           HN       ALA  22  71.420   6.377 -10.215
  172    HA   ALA  22           HA       ALA  22  69.429   8.241 -11.037
  173   1HB   ALA  22           HB3      ALA  22  70.890   5.984 -12.039
  174   2HB   ALA  22           HB2      ALA  22  69.194   5.789 -12.483
  175   3HB   ALA  22           HB1      ALA  22  70.068   7.245 -12.959
  176    H    ALA  23           HN       ALA  23  69.051   4.805 -10.059
  177    HA   ALA  23           HA       ALA  23  66.190   4.767 -10.210
  178   1HB   ALA  23           HB2      ALA  23  68.370   3.172  -8.900
  179   2HB   ALA  23           HB1      ALA  23  66.693   2.824  -8.475
  180   3HB   ALA  23           HB3      ALA  23  67.227   2.678 -10.150
  181    H    PHE  24           HN       PHE  24  68.441   5.509  -7.550
  182    HA   PHE  24           HA       PHE  24  66.700   5.664  -5.366
  183   1HB   PHE  24           HB2      PHE  24  69.042   5.997  -5.080
  184   2HB   PHE  24           HB1      PHE  24  69.077   7.311  -6.257
  185    HD1  PHE  24           HD2      PHE  24  68.146   9.532  -5.698
  186    HD2  PHE  24           HD1      PHE  24  68.297   6.359  -2.807
  187    HE1  PHE  24           HE2      PHE  24  67.736  11.169  -3.881
  188    HE2  PHE  24           HE1      PHE  24  67.886   7.996  -0.990
  189    HZ   PHE  24           HZ       PHE  24  67.604  10.399  -1.526
  190    H    ASP  25           HN       ASP  25  67.348   8.200  -7.810
  191    HA   ASP  25           HA       ASP  25  65.581  10.171  -6.710
  192   1HB   ASP  25           HB2      ASP  25  67.056   9.609  -9.215
  193   2HB   ASP  25           HB1      ASP  25  65.665  10.678  -9.392
  194    H    ILE  26           HN       ILE  26  64.953   7.207  -8.332
  195    HA   ILE  26           HA       ILE  26  62.339   8.036  -9.411
  196    HB   ILE  26           HB       ILE  26  63.755   5.363  -9.222
  197   1HG1  ILE  26          HG12      ILE  26  63.774   7.621 -11.220
  198   2HG1  ILE  26          HG11      ILE  26  65.137   6.718 -10.563
  199   1HG2  ILE  26          HG21      ILE  26  61.216   5.403  -9.562
  200   2HG2  ILE  26          HG23      ILE  26  61.540   6.193 -11.105
  201   3HG2  ILE  26          HG22      ILE  26  62.154   4.568 -10.800
  202   1HD1  ILE  26          HD11      ILE  26  64.178   4.675 -11.763
  203   2HD1  ILE  26          HD13      ILE  26  63.112   5.797 -12.606
  204   3HD1  ILE  26          HD12      ILE  26  64.860   5.929 -12.798
  205    H    PHE  27           HN       PHE  27  63.626   6.183  -6.664
  206    HA   PHE  27           HA       PHE  27  61.014   5.199  -5.819
  207   1HB   PHE  27           HB2      PHE  27  63.636   5.435  -4.307
  208   2HB   PHE  27           HB1      PHE  27  62.309   4.328  -3.952
  209    HD1  PHE  27           HD2      PHE  27  61.591   3.577  -6.798
  210    HD2  PHE  27           HD1      PHE  27  65.382   3.877  -4.801
  211    HE1  PHE  27           HE2      PHE  27  62.552   1.918  -8.372
  212    HE2  PHE  27           HE1      PHE  27  66.342   2.218  -6.374
  213    HZ   PHE  27           HZ       PHE  27  64.927   1.239  -8.160
  214    H    VAL  28           HN       VAL  28  62.683   8.183  -5.529
  215    HA   VAL  28           HA       VAL  28  61.197   8.977  -3.075
  216    HB   VAL  28           HB       VAL  28  62.757  10.911  -3.216
  217   1HG1  VAL  28          HG11      VAL  28  63.342   8.268  -2.593
  218   2HG1  VAL  28          HG13      VAL  28  64.679   8.754  -3.637
  219   3HG1  VAL  28          HG12      VAL  28  64.327   9.668  -2.170
  220   1HG2  VAL  28          HG22      VAL  28  62.981   9.978  -5.922
  221   2HG2  VAL  28          HG21      VAL  28  63.653  11.444  -5.208
  222   3HG2  VAL  28          HG23      VAL  28  64.575   9.942  -5.168
  223    H    LEU  29           HN       LEU  29  60.395   8.780  -6.187
  224    HA   LEU  29           HA       LEU  29  59.734  11.228  -7.290
  225   1HB   LEU  29           HB2      LEU  29  58.948   8.510  -7.484
  226   2HB   LEU  29           HB1      LEU  29  57.461   9.457  -7.416
  227    HG   LEU  29           HG       LEU  29  58.110   9.304  -9.733
  228   1HD1  LEU  29          HD11      LEU  29  57.866  11.737  -8.325
  229   2HD1  LEU  29          HD13      LEU  29  59.179  11.981  -9.477
  230   3HD1  LEU  29          HD12      LEU  29  57.589  11.473 -10.047
  231   1HD2  LEU  29          HD22      LEU  29  60.510   8.749  -9.260
  232   2HD2  LEU  29          HD21      LEU  29  60.319   9.969 -10.519
  233   3HD2  LEU  29          HD23      LEU  29  60.791  10.449  -8.889
  234    H    GLY  30           HN       GLY  30  59.119  12.917  -5.907
  235   1HA   GLY  30           HA2      GLY  30  57.547  14.228  -4.741
  236   2HA   GLY  30           HA1      GLY  30  56.372  12.935  -4.978
  237    H    ALA  31           HN       ALA  31  59.417  12.101  -3.548
  238    HA   ALA  31           HA       ALA  31  58.118  11.158  -1.124
  239   1HB   ALA  31           HB3      ALA  31  60.918  11.353  -2.215
  240   2HB   ALA  31           HB2      ALA  31  60.655  10.850  -0.545
  241   3HB   ALA  31           HB1      ALA  31  59.966   9.909  -1.869
  242    H    GLU  32           HN       GLU  32  57.423  13.769  -1.119
  243    HA   GLU  32           HA       GLU  32  57.504  15.739   0.177
  244   1HB   GLU  32           HB2      GLU  32  59.005  13.678   1.795
  245   2HB   GLU  32           HB1      GLU  32  58.708  15.300   2.419
  246   1HG   GLU  32           HG2      GLU  32  56.518  13.487   1.373
  247   2HG   GLU  32           HG1      GLU  32  56.961  13.595   3.078
  248    H    ASP  33           HN       ASP  33  60.704  14.597   1.172
  249    HA   ASP  33           HA       ASP  33  61.881  17.057  -0.045
  250   1HB   ASP  33           HB2      ASP  33  63.703  16.582   1.584
  251   2HB   ASP  33           HB1      ASP  33  62.130  16.694   2.373
  252    H    GLY  34           HN       GLY  34  61.493  13.849  -0.839
  253   1HA   GLY  34           HA2      GLY  34  62.502  12.985  -2.890
  254   2HA   GLY  34           HA1      GLY  34  63.956  13.911  -2.519
  255    H    CYS  35           HN       CYS  35  62.153  11.917  -0.229
  256    HA   CYS  35           HA       CYS  35  64.621  10.281   0.170
  257   1HB   CYS  35           HB2      CYS  35  62.210  11.039   1.817
  258   2HB   CYS  35           HB1      CYS  35  63.227   9.679   2.295
  259    HG   CYS  35           HG       CYS  35  63.916  12.492   2.863
  260    H    ILE  36           HN       ILE  36  63.813   7.944   1.089
  261    HA   ILE  36           HA       ILE  36  61.828   6.906  -0.911
  262    HB   ILE  36           HB       ILE  36  63.884   5.057   0.157
  263   1HG1  ILE  36          HG12      ILE  36  64.680   7.284  -1.752
  264   2HG1  ILE  36          HG11      ILE  36  65.222   7.151  -0.079
  265   1HG2  ILE  36          HG22      ILE  36  62.897   5.776  -2.617
  266   2HG2  ILE  36          HG21      ILE  36  63.971   4.428  -2.241
  267   3HG2  ILE  36          HG23      ILE  36  62.319   4.438  -1.623
  268   1HD1  ILE  36          HD12      ILE  36  65.695   4.628  -1.277
  269   2HD1  ILE  36          HD11      ILE  36  66.272   5.841  -2.421
  270   3HD1  ILE  36          HD13      ILE  36  66.896   5.817  -0.772
  271    H    SER  37           HN       SER  37  60.525   7.566   1.234
  272    HA   SER  37           HA       SER  37  60.557   6.212   3.647
  273   1HB   SER  37           HB2      SER  37  58.032   6.433   3.480
  274   2HB   SER  37           HB1      SER  37  58.925   7.905   3.108
  275    HG   SER  37           HG       SER  37  57.159   6.902   1.607
  276    H    THR  38           HN       THR  38  59.617   4.204   4.393
  277    HA   THR  38           HA       THR  38  60.098   1.906   2.794
  278    HB   THR  38           HB       THR  38  60.034   1.921   5.240
  279    HG1  THR  38           HG1      THR  38  58.349   0.285   3.762
  280   1HG2  THR  38          HG22      THR  38  57.835   3.524   4.929
  281   2HG2  THR  38          HG21      THR  38  57.098   2.001   5.424
  282   3HG2  THR  38          HG23      THR  38  58.313   2.767   6.448
  283    H    LYS  39           HN       LYS  39  57.199   3.878   3.202
  284    HA   LYS  39           HA       LYS  39  55.272   2.075   2.111
  285   1HB   LYS  39           HB2      LYS  39  55.140   4.422   3.306
  286   2HB   LYS  39           HB1      LYS  39  55.208   5.047   1.657
  287   1HG   LYS  39           HG2      LYS  39  53.026   4.583   1.388
  288   2HG   LYS  39           HG1      LYS  39  53.353   2.877   1.693
  289   1HD   LYS  39           HD2      LYS  39  52.509   2.986   3.788
  290   2HD   LYS  39           HD1      LYS  39  53.382   4.477   4.141
  291   1HE   LYS  39           HE2      LYS  39  51.343   5.493   4.064
  292   2HE   LYS  39           HE1      LYS  39  51.442   5.280   2.305
  293   1HZ   LYS  39           HZ1      LYS  39  50.552   3.090   4.079
  294   2HZ   LYS  39           HZ3      LYS  39  49.454   4.240   3.491
  295   3HZ   LYS  39           HZ2      LYS  39  50.315   3.257   2.406
  296    H    GLU  40           HN       GLU  40  57.614   4.236   0.572
  297    HA   GLU  40           HA       GLU  40  56.526   3.524  -2.117
  298   1HB   GLU  40           HB2      GLU  40  57.017   5.913  -1.251
  299   2HB   GLU  40           HB1      GLU  40  58.719   5.494  -1.451
  300   1HG   GLU  40           HG2      GLU  40  58.607   5.694  -3.699
  301   2HG   GLU  40           HG1      GLU  40  57.111   4.761  -3.780
  302    H    LEU  41           HN       LEU  41  58.018   1.558  -0.532
  303    HA   LEU  41           HA       LEU  41  60.489   1.313  -2.222
  304   1HB   LEU  41           HB2      LEU  41  59.980   1.223   0.650
  305   2HB   LEU  41           HB1      LEU  41  60.806  -0.231   0.088
  306    HG   LEU  41           HG       LEU  41  61.691   2.611  -0.498
  307   1HD1  LEU  41          HD13      LEU  41  62.786   0.515   1.402
  308   2HD1  LEU  41          HD12      LEU  41  63.580   2.043   1.022
  309   3HD1  LEU  41          HD11      LEU  41  62.028   2.041   1.857
  310   1HD2  LEU  41          HD23      LEU  41  62.169   0.492  -2.064
  311   2HD2  LEU  41          HD22      LEU  41  63.403   1.717  -1.767
  312   3HD2  LEU  41          HD21      LEU  41  63.425   0.204  -0.860
  313    H    GLY  42           HN       GLY  42  57.715  -0.334  -0.763
  314   1HA   GLY  42           HA2      GLY  42  58.287  -3.012  -1.346
  315   2HA   GLY  42           HA1      GLY  42  56.658  -2.336  -1.409
  316    H    LYS  43           HN       LYS  43  56.431  -0.824  -3.512
  317    HA   LYS  43           HA       LYS  43  56.536  -2.552  -5.784
  318   1HB   LYS  43           HB2      LYS  43  55.787  -0.562  -6.973
  319   2HB   LYS  43           HB1      LYS  43  55.025  -0.580  -5.383
  320   1HG   LYS  43           HG2      LYS  43  56.926   0.896  -4.574
  321   2HG   LYS  43           HG1      LYS  43  57.407   1.067  -6.263
  322   1HD   LYS  43           HD2      LYS  43  54.893   1.719  -6.634
  323   2HD   LYS  43           HD1      LYS  43  54.915   2.051  -4.901
  324   1HE   LYS  43           HE2      LYS  43  57.028   3.458  -5.363
  325   2HE   LYS  43           HE1      LYS  43  56.559   3.366  -7.073
  326   1HZ   LYS  43           HZ1      LYS  43  54.424   3.953  -5.190
  327   2HZ   LYS  43           HZ3      LYS  43  55.571   5.185  -5.398
  328   3HZ   LYS  43           HZ2      LYS  43  54.713   4.591  -6.738
  329    H    VAL  44           HN       VAL  44  58.904  -0.420  -4.384
  330    HA   VAL  44           HA       VAL  44  60.544  -0.132  -6.784
  331    HB   VAL  44           HB       VAL  44  60.887   0.374  -3.819
  332   1HG1  VAL  44          HG11      VAL  44  62.875   0.591  -6.071
  333   2HG1  VAL  44          HG13      VAL  44  62.969   1.680  -4.688
  334   3HG1  VAL  44          HG12      VAL  44  63.109  -0.062  -4.450
  335   1HG2  VAL  44          HG21      VAL  44  60.427   2.057  -6.285
  336   2HG2  VAL  44          HG23      VAL  44  59.470   1.999  -4.804
  337   3HG2  VAL  44          HG22      VAL  44  61.060   2.764  -4.798
  338    H    MET  45           HN       MET  45  60.831  -2.012  -3.751
  339    HA   MET  45           HA       MET  45  63.218  -3.390  -4.230
  340   1HB   MET  45           HB2      MET  45  60.597  -4.149  -2.928
  341   2HB   MET  45           HB1      MET  45  61.999  -5.218  -2.873
  342   1HG   MET  45           HG2      MET  45  62.484  -2.376  -2.152
  343   2HG   MET  45           HG1      MET  45  61.537  -3.324  -1.005
  344   1HE   MET  45           HE1      MET  45  64.619  -2.426  -2.625
  345   2HE   MET  45           HE3      MET  45  65.909  -3.497  -2.062
  346   3HE   MET  45           HE2      MET  45  64.831  -4.015  -3.356
  347    H    ARG  46           HN       ARG  46  59.973  -4.102  -5.501
  348    HA   ARG  46           HA       ARG  46  60.624  -6.612  -6.742
  349   1HB   ARG  46           HB2      ARG  46  58.471  -4.616  -6.669
  350   2HB   ARG  46           HB1      ARG  46  58.584  -5.452  -8.218
  351   1HG   ARG  46           HG2      ARG  46  58.201  -7.554  -7.260
  352   2HG   ARG  46           HG1      ARG  46  58.695  -7.018  -5.653
  353   1HD   ARG  46           HD2      ARG  46  56.395  -6.993  -5.350
  354   2HD   ARG  46           HD1      ARG  46  56.595  -5.361  -6.019
  355    HE   ARG  46           HE       ARG  46  56.220  -6.498  -8.303
  356   1HH1  ARG  46          HH11      ARG  46  55.635  -9.059  -8.390
  357   2HH1  ARG  46          HH12      ARG  46  54.036  -9.315  -7.774
  358   1HH2  ARG  46          HH21      ARG  46  53.875  -6.242  -6.176
  359   2HH2  ARG  46          HH22      ARG  46  53.040  -7.720  -6.520
  360    H    MET  47           HN       MET  47  60.872  -3.243  -7.820
  361    HA   MET  47           HA       MET  47  61.405  -3.790 -10.594
  362   1HB   MET  47           HB2      MET  47  61.613  -1.554  -8.648
  363   2HB   MET  47           HB1      MET  47  62.612  -1.412 -10.096
  364   1HG   MET  47           HG2      MET  47  60.018  -2.347 -10.873
  365   2HG   MET  47           HG1      MET  47  59.816  -0.925  -9.847
  366   1HE   MET  47           HE1      MET  47  62.008   0.761 -10.010
  367   2HE   MET  47           HE3      MET  47  61.978   1.759 -11.471
  368   3HE   MET  47           HE2      MET  47  60.508   1.528 -10.527
  369    H    LEU  48           HN       LEU  48  63.590  -3.127  -7.831
  370    HA   LEU  48           HA       LEU  48  66.057  -3.284  -9.197
  371   1HB   LEU  48           HB2      LEU  48  65.213  -4.105  -6.401
  372   2HB   LEU  48           HB1      LEU  48  66.896  -3.938  -6.904
  373    HG   LEU  48           HG       LEU  48  64.792  -1.755  -6.948
  374   1HD1  LEU  48          HD12      LEU  48  66.638  -2.692  -4.940
  375   2HD1  LEU  48          HD11      LEU  48  67.086  -1.061  -5.438
  376   3HD1  LEU  48          HD13      LEU  48  65.462  -1.383  -4.832
  377   1HD2  LEU  48          HD22      LEU  48  67.316  -2.088  -8.360
  378   2HD2  LEU  48          HD21      LEU  48  66.101  -0.822  -8.535
  379   3HD2  LEU  48          HD23      LEU  48  67.356  -0.675  -7.305
  380    H    GLY  49           HN       GLY  49  64.956  -5.939  -7.077
  381   1HA   GLY  49           HA2      GLY  49  64.828  -8.006  -8.982
  382   2HA   GLY  49           HA1      GLY  49  66.516  -7.902  -8.483
  383    H    GLN  50           HN       GLN  50  63.733  -7.229  -6.402
  384    HA   GLN  50           HA       GLN  50  64.372  -9.721  -4.860
  385   1HB   GLN  50           HB2      GLN  50  64.568  -6.886  -4.158
  386   2HB   GLN  50           HB1      GLN  50  63.576  -7.791  -3.014
  387   1HG   GLN  50           HG2      GLN  50  65.354  -8.947  -2.208
  388   2HG   GLN  50           HG1      GLN  50  66.039  -9.188  -3.816
  389   1HE2  GLN  50          HE22      GLN  50  68.389  -6.608  -3.404
  390   2HE2  GLN  50          HE21      GLN  50  67.914  -8.010  -4.236
  391    H    ASN  51           HN       ASN  51  62.495  -9.811  -3.025
  392    HA   ASN  51           HA       ASN  51  59.858  -9.021  -4.137
  393   1HB   ASN  51           HB2      ASN  51  60.877 -11.347  -4.951
  394   2HB   ASN  51           HB1      ASN  51  60.272 -11.892  -3.386
  395   1HD2  ASN  51          HD21      ASN  51  59.354 -11.379  -6.616
  396   2HD2  ASN  51          HD22      ASN  51  57.671 -11.379  -6.395
  397    HA   PRO  52           HA       PRO  52  60.363  -9.191   0.520
  398   1HB   PRO  52           HB2      PRO  52  59.983  -6.521   0.985
  399   2HB   PRO  52           HB1      PRO  52  61.581  -7.231   0.676
  400   1HG   PRO  52           HG2      PRO  52  59.789  -5.728  -1.161
  401   2HG   PRO  52           HG1      PRO  52  61.555  -5.698  -1.027
  402   1HD   PRO  52           HD2      PRO  52  60.198  -7.064  -2.971
  403   2HD   PRO  52           HD1      PRO  52  61.819  -7.510  -2.393
  404    H    THR  53           HN       THR  53  58.626  -8.177   2.110
  405    HA   THR  53           HA       THR  53  55.962  -8.239   0.727
  406    HB   THR  53           HB       THR  53  55.175  -9.361   2.777
  407    HG1  THR  53           HG1      THR  53  56.804  -9.927   4.327
  408   1HG2  THR  53          HG21      THR  53  57.672 -10.505   1.513
  409   2HG2  THR  53          HG23      THR  53  56.651 -11.420   2.623
  410   3HG2  THR  53          HG22      THR  53  55.995 -10.849   1.089
  411    HA   PRO  54           HA       PRO  54  55.033  -4.387   2.611
  412   1HB   PRO  54           HB2      PRO  54  52.417  -4.708   3.362
  413   2HB   PRO  54           HB1      PRO  54  52.920  -4.514   1.671
  414   1HG   PRO  54           HG2      PRO  54  52.218  -6.995   3.163
  415   2HG   PRO  54           HG1      PRO  54  51.832  -6.532   1.497
  416   1HD   PRO  54           HD2      PRO  54  53.821  -8.270   2.132
  417   2HD   PRO  54           HD1      PRO  54  53.863  -7.229   0.692
  418    H    GLU  55           HN       GLU  55  54.638  -7.323   4.425
  419    HA   GLU  55           HA       GLU  55  54.188  -6.001   7.012
  420   1HB   GLU  55           HB2      GLU  55  54.155  -8.658   5.818
  421   2HB   GLU  55           HB1      GLU  55  54.981  -8.667   7.376
  422   1HG   GLU  55           HG2      GLU  55  52.626  -7.024   7.560
  423   2HG   GLU  55           HG1      GLU  55  52.186  -8.603   6.910
  424    H    GLU  56           HN       GLU  56  56.896  -7.484   5.253
  425    HA   GLU  56           HA       GLU  56  58.739  -7.082   7.528
  426   1HB   GLU  56           HB2      GLU  56  58.589  -8.562   5.004
  427   2HB   GLU  56           HB1      GLU  56  60.180  -7.854   5.281
  428   1HG   GLU  56           HG2      GLU  56  60.093 -10.084   6.284
  429   2HG   GLU  56           HG1      GLU  56  60.206  -8.866   7.555
  430    H    LEU  57           HN       LEU  57  58.081  -5.690   4.332
  431    HA   LEU  57           HA       LEU  57  60.258  -4.104   3.783
  432   1HB   LEU  57           HB2      LEU  57  57.363  -4.005   3.406
  433   2HB   LEU  57           HB1      LEU  57  58.079  -2.392   3.439
  434    HG   LEU  57           HG       LEU  57  59.432  -4.527   1.830
  435   1HD1  LEU  57          HD12      LEU  57  56.860  -4.407   1.373
  436   2HD1  LEU  57          HD11      LEU  57  57.238  -2.855   0.625
  437   3HD1  LEU  57          HD13      LEU  57  57.971  -4.334   0.004
  438   1HD2  LEU  57          HD22      LEU  57  59.173  -1.529   1.844
  439   2HD2  LEU  57          HD21      LEU  57  60.634  -2.517   1.821
  440   3HD2  LEU  57          HD23      LEU  57  59.655  -2.357   0.363
  441    H    GLN  58           HN       GLN  58  57.689  -3.265   6.138
  442    HA   GLN  58           HA       GLN  58  58.846  -0.773   6.967
  443   1HB   GLN  58           HB2      GLN  58  56.489  -1.880   7.297
  444   2HB   GLN  58           HB1      GLN  58  57.216  -2.574   8.746
  445   1HG   GLN  58           HG2      GLN  58  56.900   0.356   8.062
  446   2HG   GLN  58           HG1      GLN  58  56.204  -0.512   9.430
  447   1HE2  GLN  58          HE22      GLN  58  59.919   1.029   9.749
  448   2HE2  GLN  58          HE21      GLN  58  58.933   1.319   8.398
  449    H    GLU  59           HN       GLU  59  58.849  -3.951   8.649
  450    HA   GLU  59           HA       GLU  59  60.640  -3.259  10.729
  451   1HB   GLU  59           HB2      GLU  59  59.813  -5.762   9.291
  452   2HB   GLU  59           HB1      GLU  59  61.118  -5.853  10.475
  453   1HG   GLU  59           HG2      GLU  59  59.326  -4.383  11.876
  454   2HG   GLU  59           HG1      GLU  59  58.224  -5.343  10.887
  455    H    MET  60           HN       MET  60  61.316  -4.470   7.442
  456    HA   MET  60           HA       MET  60  64.131  -4.844   7.731
  457   1HB   MET  60           HB2      MET  60  62.235  -4.234   5.465
  458   2HB   MET  60           HB1      MET  60  63.969  -4.383   5.169
  459   1HG   MET  60           HG2      MET  60  62.382  -6.499   6.636
  460   2HG   MET  60           HG1      MET  60  62.614  -6.527   4.888
  461   1HE   MET  60           HE3      MET  60  63.518  -7.094   8.155
  462   2HE   MET  60           HE2      MET  60  64.262  -8.628   7.708
  463   3HE   MET  60           HE1      MET  60  65.261  -7.324   8.346
  464    H    ILE  61           HN       ILE  61  62.211  -1.957   7.498
  465    HA   ILE  61           HA       ILE  61  64.625  -0.306   6.885
  466    HB   ILE  61           HB       ILE  61  61.635   0.031   6.720
  467   1HG1  ILE  61          HG12      ILE  61  63.771   0.793   4.724
  468   2HG1  ILE  61          HG11      ILE  61  63.178  -0.864   4.849
  469   1HG2  ILE  61          HG23      ILE  61  63.666   2.132   7.223
  470   2HG2  ILE  61          HG22      ILE  61  62.547   2.459   5.899
  471   3HG2  ILE  61          HG21      ILE  61  61.927   2.151   7.521
  472   1HD1  ILE  61          HD13      ILE  61  60.828   0.097   4.609
  473   2HD1  ILE  61          HD12      ILE  61  61.595   1.622   4.164
  474   3HD1  ILE  61          HD11      ILE  61  61.840   0.187   3.167
  475    H    ASP  62           HN       ASP  62  62.560  -1.273   9.465
  476    HA   ASP  62           HA       ASP  62  62.986   1.105  11.135
  477   1HB   ASP  62           HB2      ASP  62  60.951  -0.091  11.427
  478   2HB   ASP  62           HB1      ASP  62  61.780  -1.647  11.468
  479    H    GLU  63           HN       GLU  63  65.116  -1.127  10.113
  480    HA   GLU  63           HA       GLU  63  66.512  -1.304  12.765
  481   1HB   GLU  63           HB2      GLU  63  66.504  -3.151  10.357
  482   2HB   GLU  63           HB1      GLU  63  67.491  -3.394  11.797
  483   1HG   GLU  63           HG2      GLU  63  64.817  -2.924  12.664
  484   2HG   GLU  63           HG1      GLU  63  64.751  -4.128  11.377
  485    H    VAL  64           HN       VAL  64  66.812  -0.613   9.311
  486    HA   VAL  64           HA       VAL  64  69.716  -0.133   9.521
  487    HB   VAL  64           HB       VAL  64  68.337  -1.139   7.562
  488   1HG1  VAL  64          HG11      VAL  64  66.997   1.267   7.749
  489   2HG1  VAL  64          HG13      VAL  64  68.099   1.549   6.401
  490   3HG1  VAL  64          HG12      VAL  64  66.967   0.197   6.348
  491   1HG2  VAL  64          HG22      VAL  64  70.532   0.892   7.436
  492   2HG2  VAL  64          HG21      VAL  64  70.571  -0.825   7.033
  493   3HG2  VAL  64          HG23      VAL  64  69.832   0.326   5.919
  494    H    ASP  65           HN       ASP  65  66.744   1.689   9.689
  495    HA   ASP  65           HA       ASP  65  67.791   4.290   9.020
  496   1HB   ASP  65           HB2      ASP  65  65.351   3.153   9.497
  497   2HB   ASP  65           HB1      ASP  65  65.596   4.051  10.996
  498    H    GLU  66           HN       GLU  66  69.089   5.602  10.259
  499    HA   GLU  66           HA       GLU  66  69.309   4.992  13.192
  500   1HB   GLU  66           HB2      GLU  66  71.326   5.505  11.025
  501   2HB   GLU  66           HB1      GLU  66  71.720   5.946  12.688
  502   1HG   GLU  66           HG2      GLU  66  70.917   3.545  13.281
  503   2HG   GLU  66           HG1      GLU  66  71.118   3.219  11.559
  504    H    ASP  67           HN       ASP  67  68.106   7.195  11.102
  505    HA   ASP  67           HA       ASP  67  69.099   9.595  12.571
  506   1HB   ASP  67           HB2      ASP  67  67.301   9.441  10.139
  507   2HB   ASP  67           HB1      ASP  67  68.298  10.801  10.661
  508    H    GLY  68           HN       GLY  68  66.466   7.429  12.517
  509   1HA   GLY  68           HA2      GLY  68  64.431   7.453  13.691
  510   2HA   GLY  68           HA1      GLY  68  65.026   8.880  14.541
  511    H    SER  69           HN       SER  69  64.557   8.506  11.039
  512    HA   SER  69           HA       SER  69  62.699  10.849  11.140
  513   1HB   SER  69           HB2      SER  69  63.360  10.780   8.607
  514   2HB   SER  69           HB1      SER  69  64.558  11.323   9.777
  515    HG   SER  69           HG       SER  69  65.287   9.692   8.248
  516    H    GLY  70           HN       GLY  70  63.089   7.584   9.773
  517   1HA   GLY  70           HA2      GLY  70  61.117   6.106   9.659
  518   2HA   GLY  70           HA1      GLY  70  60.136   7.534   9.322
  519    H    THR  71           HN       THR  71  62.539   8.404   7.537
  520    HA   THR  71           HA       THR  71  61.617   6.874   5.133
  521    HB   THR  71           HB       THR  71  62.744   9.036   4.089
  522    HG1  THR  71           HG1      THR  71  62.636  10.761   5.538
  523   1HG2  THR  71          HG23      THR  71  60.116   8.352   5.004
  524   2HG2  THR  71          HG22      THR  71  60.373  10.076   5.269
  525   3HG2  THR  71          HG21      THR  71  60.570   9.394   3.655
  526    H    VAL  72           HN       VAL  72  63.268   6.274   3.553
  527    HA   VAL  72           HA       VAL  72  65.897   5.696   4.825
  528    HB   VAL  72           HB       VAL  72  64.822   4.747   2.159
  529   1HG1  VAL  72          HG11      VAL  72  67.013   3.998   4.039
  530   2HG1  VAL  72          HG13      VAL  72  66.190   2.685   3.197
  531   3HG1  VAL  72          HG12      VAL  72  66.984   3.962   2.276
  532   1HG2  VAL  72          HG23      VAL  72  64.211   3.774   4.958
  533   2HG2  VAL  72          HG22      VAL  72  63.070   4.193   3.680
  534   3HG2  VAL  72          HG21      VAL  72  64.045   2.730   3.547
  535    H    ASP  73           HN       ASP  73  67.740   6.737   4.156
  536    HA   ASP  73           HA       ASP  73  67.500   8.728   1.954
  537   1HB   ASP  73           HB2      ASP  73  68.511   8.851   4.488
  538   2HB   ASP  73           HB1      ASP  73  69.973   8.488   3.570
  539    H    PHE  74           HN       PHE  74  70.083   8.904   1.065
  540    HA   PHE  74           HA       PHE  74  70.333   6.603  -0.673
  541   1HB   PHE  74           HB2      PHE  74  70.967   9.070  -1.043
  542   2HB   PHE  74           HB1      PHE  74  72.418   8.718  -0.104
  543    HD1  PHE  74           HD1      PHE  74  70.496   6.750  -2.653
  544    HD2  PHE  74           HD2      PHE  74  74.253   8.503  -1.534
  545    HE1  PHE  74           HE1      PHE  74  71.557   5.753  -4.660
  546    HE2  PHE  74           HE2      PHE  74  75.315   7.507  -3.542
  547    HZ   PHE  74           HZ       PHE  74  73.967   6.131  -5.104
  548    H    ASP  75           HN       ASP  75  72.027   7.692   2.258
  549    HA   ASP  75           HA       ASP  75  74.083   5.650   2.171
  550   1HB   ASP  75           HB2      ASP  75  74.272   7.798   3.374
  551   2HB   ASP  75           HB1      ASP  75  72.943   7.324   4.434
  552    H    GLU  76           HN       GLU  76  70.988   5.972   3.929
  553    HA   GLU  76           HA       GLU  76  71.211   3.416   5.283
  554   1HB   GLU  76           HB2      GLU  76  68.923   5.310   4.665
  555   2HB   GLU  76           HB1      GLU  76  68.768   3.909   5.724
  556   1HG   GLU  76           HG2      GLU  76  70.313   4.794   7.300
  557   2HG   GLU  76           HG1      GLU  76  70.882   6.022   6.166
  558    H    PHE  77           HN       PHE  77  69.346   4.543   2.445
  559    HA   PHE  77           HA       PHE  77  67.903   2.302   1.728
  560   1HB   PHE  77           HB2      PHE  77  67.964   4.437   0.507
  561   2HB   PHE  77           HB1      PHE  77  69.606   4.090  -0.038
  562    HD1  PHE  77           HD1      PHE  77  66.158   2.620  -0.058
  563    HD2  PHE  77           HD2      PHE  77  69.938   2.971  -2.067
  564    HE1  PHE  77           HE1      PHE  77  65.252   1.345  -1.983
  565    HE2  PHE  77           HE2      PHE  77  69.032   1.696  -3.993
  566    HZ   PHE  77           HZ       PHE  77  66.689   0.883  -3.950
  567    H    LEU  78           HN       LEU  78  71.354   2.852   0.930
  568    HA   LEU  78           HA       LEU  78  71.771   0.377  -0.438
  569   1HB   LEU  78           HB2      LEU  78  73.398   2.504   0.884
  570   2HB   LEU  78           HB1      LEU  78  74.212   0.992   0.476
  571    HG   LEU  78           HG       LEU  78  72.457   2.249  -1.594
  572   1HD1  LEU  78          HD12      LEU  78  73.821   4.124  -0.716
  573   2HD1  LEU  78          HD11      LEU  78  75.282   3.170  -0.975
  574   3HD1  LEU  78          HD13      LEU  78  74.307   3.680  -2.353
  575   1HD2  LEU  78          HD22      LEU  78  73.662   0.014  -1.808
  576   2HD2  LEU  78          HD21      LEU  78  73.998   1.175  -3.093
  577   3HD2  LEU  78          HD23      LEU  78  75.174   0.922  -1.802
  578    H    VAL  79           HN       VAL  79  72.549   1.260   2.965
  579    HA   VAL  79           HA       VAL  79  73.594  -1.162   3.872
  580    HB   VAL  79           HB       VAL  79  71.575   0.610   5.294
  581   1HG1  VAL  79          HG12      VAL  79  72.284  -1.604   6.354
  582   2HG1  VAL  79          HG11      VAL  79  73.914  -0.933   6.442
  583   3HG1  VAL  79          HG13      VAL  79  72.593  -0.159   7.318
  584   1HG2  VAL  79          HG21      VAL  79  74.258   1.129   4.278
  585   2HG2  VAL  79          HG23      VAL  79  73.099   2.253   4.988
  586   3HG2  VAL  79          HG22      VAL  79  74.182   1.329   6.028
  587    H    MET  80           HN       MET  80  70.139  -0.281   3.570
  588    HA   MET  80           HA       MET  80  68.967  -2.624   4.621
  589   1HB   MET  80           HB2      MET  80  68.278  -0.351   2.965
  590   2HB   MET  80           HB1      MET  80  67.475  -1.800   2.359
  591   1HG   MET  80           HG2      MET  80  67.408  -1.605   5.281
  592   2HG   MET  80           HG1      MET  80  66.602  -0.253   4.487
  593   1HE   MET  80           HE2      MET  80  64.710  -0.367   2.899
  594   2HE   MET  80           HE1      MET  80  65.607  -1.405   1.794
  595   3HE   MET  80           HE3      MET  80  63.952  -1.824   2.261
  596    H    MET  81           HN       MET  81  70.145  -1.960   1.318
  597    HA   MET  81           HA       MET  81  69.387  -4.454   0.138
  598   1HB   MET  81           HB2      MET  81  71.187  -2.156  -0.380
  599   2HB   MET  81           HB1      MET  81  71.633  -3.649  -1.206
  600   1HG   MET  81           HG2      MET  81  70.144  -2.770  -2.747
  601   2HG   MET  81           HG1      MET  81  69.035  -3.717  -1.756
  602   1HE   MET  81           HE2      MET  81  67.359  -2.575  -2.818
  603   2HE   MET  81           HE1      MET  81  66.570  -1.139  -2.171
  604   3HE   MET  81           HE3      MET  81  67.768  -0.987  -3.463
  605    H    VAL  82           HN       VAL  82  72.685  -3.437   1.089
  606    HA   VAL  82           HA       VAL  82  73.922  -5.963   0.992
  607    HB   VAL  82           HB       VAL  82  75.105  -3.837   1.227
  608   1HG1  VAL  82          HG11      VAL  82  73.356  -2.774   2.685
  609   2HG1  VAL  82          HG13      VAL  82  73.963  -3.733   4.034
  610   3HG1  VAL  82          HG12      VAL  82  75.000  -2.529   3.270
  611   1HG2  VAL  82          HG23      VAL  82  75.555  -6.131   2.926
  612   2HG2  VAL  82          HG22      VAL  82  76.742  -5.079   2.155
  613   3HG2  VAL  82          HG21      VAL  82  76.094  -4.664   3.742
  614    H    ARG  83           HN       ARG  83  71.756  -4.631   3.403
  615    HA   ARG  83           HA       ARG  83  72.414  -6.370   5.597
  616   1HB   ARG  83           HB2      ARG  83  70.219  -4.556   4.732
  617   2HB   ARG  83           HB1      ARG  83  69.803  -5.748   5.963
  618   1HG   ARG  83           HG2      ARG  83  72.039  -4.948   7.092
  619   2HG   ARG  83           HG1      ARG  83  71.800  -3.510   6.098
  620   1HD   ARG  83           HD2      ARG  83  69.515  -3.246   7.054
  621   2HD   ARG  83           HD1      ARG  83  69.815  -4.648   8.101
  622    HE   ARG  83           HE       ARG  83  71.621  -2.262   8.165
  623   1HH1  ARG  83          HH11      ARG  83  70.748  -5.146   9.647
  624   2HH1  ARG  83          HH12      ARG  83  70.704  -4.509  11.257
  625   1HH2  ARG  83          HH21      ARG  83  71.094  -1.214  10.248
  626   2HH2  ARG  83          HH22      ARG  83  70.899  -2.282  11.597
  627    H    CYS  84           HN       CYS  84  69.395  -6.510   3.684
  628    HA   CYS  84           HA       CYS  84  68.929  -9.290   4.313
  629   1HB   CYS  84           HB2      CYS  84  67.221  -7.547   3.746
  630   2HB   CYS  84           HB1      CYS  84  67.818  -7.551   2.086
  631    HG   CYS  84           HG       CYS  84  66.389  -9.981   3.437
  632    H    MET  85           HN       MET  85  71.111  -7.836   2.186
  633    HA   MET  85           HA       MET  85  70.997  -9.570  -0.098
  634   1HB   MET  85           HB2      MET  85  72.662  -7.493   1.058
  635   2HB   MET  85           HB1      MET  85  73.660  -8.762   0.348
  636   1HG   MET  85           HG2      MET  85  72.024  -8.582  -1.677
  637   2HG   MET  85           HG1      MET  85  71.601  -7.016  -0.984
  638   1HE   MET  85           HE3      MET  85  72.096  -5.456  -2.028
  639   2HE   MET  85           HE2      MET  85  73.597  -4.680  -1.529
  640   3HE   MET  85           HE1      MET  85  73.391  -5.189  -3.202
  641    H    LYS  86           HN       LYS  86  73.509  -9.599   2.458
  642    HA   LYS  86           HA       LYS  86  73.231 -12.412   3.047
  643   1HB   LYS  86           HB2      LYS  86  74.305 -11.879   0.571
  644   2HB   LYS  86           HB1      LYS  86  75.754 -12.029   1.567
  645   1HG   LYS  86           HG2      LYS  86  75.284 -14.241   2.158
  646   2HG   LYS  86           HG1      LYS  86  73.561 -14.070   1.817
  647   1HD   LYS  86           HD2      LYS  86  75.130 -13.541  -0.563
  648   2HD   LYS  86           HD1      LYS  86  75.516 -15.131   0.098
  649   1HE   LYS  86           HE2      LYS  86  72.708 -14.119  -0.492
  650   2HE   LYS  86           HE1      LYS  86  73.609 -15.294  -1.472
  651   1HZ   LYS  86           HZ3      LYS  86  73.740 -16.031   1.251
  652   2HZ   LYS  86           HZ2      LYS  86  72.112 -15.802   0.823
  653   3HZ   LYS  86           HZ1      LYS  86  73.076 -16.896  -0.048
  654    H    ASP  87           HN       ASP  87  75.994 -12.952   3.545
  655    HA   ASP  87           HA       ASP  87  77.269 -10.786   4.992
  656   1HB   ASP  87           HB2      ASP  87  75.056 -12.022   6.209
  657   2HB   ASP  87           HB1      ASP  87  76.465 -12.728   7.003
  658    H    ASP  88           HN       ASP  88  76.811 -14.307   5.520
  659    HA   ASP  88           HA       ASP  88  78.419 -16.038   5.658
  660   1HB   ASP  88           HB2      ASP  88  79.665 -14.214   3.575
  661   2HB   ASP  88           HB1      ASP  88  80.049 -15.921   3.797
  662    H    SER  89           HN       SER  89  81.161 -16.070   5.526
  663    HA   SER  89           HA       SER  89  83.100 -15.577   6.784
  664   1HB   SER  89           HB2      SER  89  82.495 -13.370   5.586
  665   2HB   SER  89           HB1      SER  89  81.841 -12.852   7.137
  666    HG   SER  89           HG       SER  89  84.300 -12.673   6.392
   
  No H/Q in entry =         666
  Start of MODEL   28
    1   1H    MET   1           HT1      MET   1  79.322   3.133  18.508
    2   2H    MET   1           HT3      MET   1  78.415   2.742  19.888
    3   3H    MET   1           HT2      MET   1  80.110   2.832  19.984
    4    HA   MET   1           HA       MET   1  80.374   0.893  18.626
    5   1HB   MET   1           HB2      MET   1  79.877   0.777  21.097
    6   2HB   MET   1           HB1      MET   1  78.182   0.507  20.689
    7   1HG   MET   1           HG2      MET   1  79.348  -1.364  19.111
    8   2HG   MET   1           HG1      MET   1  80.500  -1.328  20.446
    9   1HE   MET   1           HE3      MET   1  79.369  -0.452  22.583
   10   2HE   MET   1           HE2      MET   1  77.668  -0.676  22.980
   11   3HE   MET   1           HE1      MET   1  78.850  -1.876  23.496
   12    H    ASP   2           HN       ASP   2  79.324   1.490  16.506
   13    HA   ASP   2           HA       ASP   2  77.113  -0.312  15.905
   14   1HB   ASP   2           HB2      ASP   2  76.706   2.561  16.514
   15   2HB   ASP   2           HB1      ASP   2  75.881   1.974  15.070
   16    H    ASP   3           HN       ASP   3  79.421  -0.504  14.644
   17    HA   ASP   3           HA       ASP   3  79.072   0.983  12.060
   18   1HB   ASP   3           HB2      ASP   3  81.600   0.072  13.476
   19   2HB   ASP   3           HB1      ASP   3  81.550   0.911  11.926
   20    H    ILE   4           HN       ILE   4  81.595  -1.001  11.560
   21    HA   ILE   4           HA       ILE   4  81.872  -3.114  10.549
   22    HB   ILE   4           HB       ILE   4  79.177  -3.761  11.767
   23   1HG1  ILE   4          HG12      ILE   4  81.885  -3.815  13.139
   24   2HG1  ILE   4          HG11      ILE   4  80.637  -2.603  13.436
   25   1HG2  ILE   4          HG22      ILE   4  81.262  -5.236  10.435
   26   2HG2  ILE   4          HG21      ILE   4  81.111  -5.805  12.097
   27   3HG2  ILE   4          HG23      ILE   4  79.707  -5.819  11.030
   28   1HD1  ILE   4          HD13      ILE   4  79.073  -4.546  13.987
   29   2HD1  ILE   4          HD12      ILE   4  80.507  -5.573  13.996
   30   3HD1  ILE   4          HD11      ILE   4  80.365  -4.246  15.150
   31    H    TYR   5           HN       TYR   5  78.325  -2.594  10.475
   32    HA   TYR   5           HA       TYR   5  77.967  -3.528   7.806
   33   1HB   TYR   5           HB2      TYR   5  76.464  -1.842   9.782
   34   2HB   TYR   5           HB1      TYR   5  75.848  -1.964   8.134
   35    HD1  TYR   5           HD1      TYR   5  75.309  -4.211   7.166
   36    HD2  TYR   5           HD2      TYR   5  76.321  -3.684  11.306
   37    HE1  TYR   5           HE1      TYR   5  74.361  -6.444   7.680
   38    HE2  TYR   5           HE2      TYR   5  75.373  -5.917  11.822
   39    HH   TYR   5           HH       TYR   5  73.820  -7.883   9.290
   40    H    LYS   6           HN       LYS   6  78.614  -0.275   9.093
   41    HA   LYS   6           HA       LYS   6  78.169   1.336   6.854
   42   1HB   LYS   6           HB2      LYS   6  80.092   1.279   9.145
   43   2HB   LYS   6           HB1      LYS   6  80.381   2.459   7.866
   44   1HG   LYS   6           HG2      LYS   6  77.929   3.125   8.114
   45   2HG   LYS   6           HG1      LYS   6  77.916   2.163   9.592
   46   1HD   LYS   6           HD2      LYS   6  78.716   3.978  10.664
   47   2HD   LYS   6           HD1      LYS   6  80.229   3.729   9.793
   48   1HE   LYS   6           HE2      LYS   6  78.022   5.151   8.349
   49   2HE   LYS   6           HE1      LYS   6  78.918   6.045   9.594
   50   1HZ   LYS   6           HZ2      LYS   6  80.989   5.164   8.541
   51   2HZ   LYS   6           HZ1      LYS   6  80.037   4.607   7.250
   52   3HZ   LYS   6           HZ3      LYS   6  80.130   6.269   7.578
   53    H    ALA   7           HN       ALA   7  80.932  -0.800   7.514
   54    HA   ALA   7           HA       ALA   7  82.492   0.013   5.214
   55   1HB   ALA   7           HB2      ALA   7  82.608  -1.791   7.465
   56   2HB   ALA   7           HB1      ALA   7  83.109  -2.640   6.003
   57   3HB   ALA   7           HB3      ALA   7  83.937  -1.163   6.492
   58    H    ALA   8           HN       ALA   8  80.314  -2.753   5.855
   59    HA   ALA   8           HA       ALA   8  80.585  -4.184   3.464
   60   1HB   ALA   8           HB3      ALA   8  78.797  -3.966   5.676
   61   2HB   ALA   8           HB2      ALA   8  77.817  -4.022   4.211
   62   3HB   ALA   8           HB1      ALA   8  78.965  -5.316   4.554
   63    H    VAL   9           HN       VAL   9  78.705  -1.229   4.069
   64    HA   VAL   9           HA       VAL   9  77.426  -1.180   1.465
   65    HB   VAL   9           HB       VAL   9  77.935   0.852   3.655
   66   1HG1  VAL   9          HG12      VAL   9  77.642   1.870   1.341
   67   2HG1  VAL   9          HG11      VAL   9  76.033   1.148   1.318
   68   3HG1  VAL   9          HG13      VAL   9  76.440   2.358   2.535
   69   1HG2  VAL   9          HG22      VAL   9  75.742  -1.051   2.915
   70   2HG2  VAL   9          HG21      VAL   9  76.379  -0.646   4.508
   71   3HG2  VAL   9          HG23      VAL   9  75.305   0.478   3.676
   72    H    GLU  10           HN       GLU  10  80.483  -0.013   2.759
   73    HA   GLU  10           HA       GLU  10  81.074   1.764   0.516
   74   1HB   GLU  10           HB2      GLU  10  82.098   1.061   3.105
   75   2HB   GLU  10           HB1      GLU  10  83.408   0.934   1.931
   76   1HG   GLU  10           HG2      GLU  10  81.626   3.326   1.766
   77   2HG   GLU  10           HG1      GLU  10  82.798   3.263   3.083
   78    H    GLN  11           HN       GLN  11  80.832  -1.529   0.650
   79    HA   GLN  11           HA       GLN  11  83.265  -2.217  -0.859
   80   1HB   GLN  11           HB2      GLN  11  80.758  -3.789  -0.175
   81   2HB   GLN  11           HB1      GLN  11  82.285  -4.472  -0.737
   82   1HG   GLN  11           HG2      GLN  11  81.791  -3.000   1.865
   83   2HG   GLN  11           HG1      GLN  11  82.229  -4.697   1.669
   84   1HE2  GLN  11          HE22      GLN  11  85.141  -1.923   1.799
   85   2HE2  GLN  11          HE21      GLN  11  83.518  -1.560   2.140
   86    H    LEU  12           HN       LEU  12  79.912  -1.420  -1.516
   87    HA   LEU  12           HA       LEU  12  79.454  -2.552  -4.034
   88   1HB   LEU  12           HB2      LEU  12  78.798   0.214  -2.968
   89   2HB   LEU  12           HB1      LEU  12  78.014  -0.528  -4.363
   90    HG   LEU  12           HG       LEU  12  78.067  -1.764  -1.597
   91   1HD1  LEU  12          HD12      LEU  12  76.318   0.270  -2.830
   92   2HD1  LEU  12          HD11      LEU  12  75.462  -1.090  -2.106
   93   3HD1  LEU  12          HD13      LEU  12  76.563  -0.120  -1.128
   94   1HD2  LEU  12          HD22      LEU  12  77.807  -3.322  -3.527
   95   2HD2  LEU  12          HD21      LEU  12  76.352  -3.248  -2.532
   96   3HD2  LEU  12          HD23      LEU  12  76.415  -2.384  -4.067
   97    H    THR  13           HN       THR  13  80.648  -2.431  -5.897
   98    HA   THR  13           HA       THR  13  82.924  -0.802  -6.303
   99    HB   THR  13           HB       THR  13  82.288  -1.359  -8.791
  100    HG1  THR  13           HG1      THR  13  80.042  -1.699  -8.075
  101   1HG2  THR  13          HG23      THR  13  83.884  -2.599  -7.244
  102   2HG2  THR  13          HG22      THR  13  82.536  -3.669  -6.855
  103   3HG2  THR  13          HG21      THR  13  83.139  -3.578  -8.509
  104    H    GLU  14           HN       GLU  14  83.088   0.934  -8.061
  105    HA   GLU  14           HA       GLU  14  81.380   3.157  -7.455
  106   1HB   GLU  14           HB2      GLU  14  83.807   2.695  -8.671
  107   2HB   GLU  14           HB1      GLU  14  82.798   3.162 -10.041
  108   1HG   GLU  14           HG2      GLU  14  83.787   5.171  -9.099
  109   2HG   GLU  14           HG1      GLU  14  82.060   5.175  -8.736
  110    H    GLU  15           HN       GLU  15  81.500   0.949 -10.266
  111    HA   GLU  15           HA       GLU  15  79.499   2.158 -11.858
  112   1HB   GLU  15           HB2      GLU  15  79.315  -0.124 -12.823
  113   2HB   GLU  15           HB1      GLU  15  80.999   0.322 -12.544
  114   1HG   GLU  15           HG2      GLU  15  80.975  -0.916 -10.408
  115   2HG   GLU  15           HG1      GLU  15  79.292  -1.366 -10.688
  116    H    GLN  16           HN       GLN  16  79.196  -0.075  -9.110
  117    HA   GLN  16           HA       GLN  16  76.390  -0.602  -9.355
  118   1HB   GLN  16           HB2      GLN  16  78.124  -1.806  -7.966
  119   2HB   GLN  16           HB1      GLN  16  78.094  -0.442  -6.849
  120   1HG   GLN  16           HG2      GLN  16  76.525  -1.845  -5.859
  121   2HG   GLN  16           HG1      GLN  16  75.485  -0.863  -6.892
  122   1HE2  GLN  16          HE22      GLN  16  74.632  -3.547  -9.046
  123   2HE2  GLN  16          HE21      GLN  16  74.544  -1.872  -8.783
  124    H    LYS  17           HN       LYS  17  77.853   1.404  -6.777
  125    HA   LYS  17           HA       LYS  17  75.604   2.784  -5.937
  126   1HB   LYS  17           HB2      LYS  17  78.493   3.598  -6.296
  127   2HB   LYS  17           HB1      LYS  17  77.329   4.666  -5.513
  128   1HG   LYS  17           HG2      LYS  17  77.356   3.449  -3.610
  129   2HG   LYS  17           HG1      LYS  17  77.163   1.936  -4.495
  130   1HD   LYS  17           HD2      LYS  17  79.365   1.471  -4.345
  131   2HD   LYS  17           HD1      LYS  17  79.803   3.082  -4.917
  132   1HE   LYS  17           HE2      LYS  17  79.154   3.876  -2.520
  133   2HE   LYS  17           HE1      LYS  17  79.320   2.164  -2.084
  134   1HZ   LYS  17           HZ1      LYS  17  81.362   3.667  -3.623
  135   2HZ   LYS  17           HZ3      LYS  17  81.429   3.471  -1.940
  136   3HZ   LYS  17           HZ2      LYS  17  81.512   2.112  -2.957
  137    H    ASN  18           HN       ASN  18  77.756   3.764  -8.633
  138    HA   ASN  18           HA       ASN  18  76.468   6.127  -9.436
  139   1HB   ASN  18           HB2      ASN  18  78.045   3.942 -10.730
  140   2HB   ASN  18           HB1      ASN  18  77.251   5.105 -11.792
  141   1HD2  ASN  18          HD22      ASN  18  80.704   6.216 -10.319
  142   2HD2  ASN  18          HD21      ASN  18  80.211   4.632 -10.678
  143    H    GLU  19           HN       GLU  19  75.414   2.809  -9.740
  144    HA   GLU  19           HA       GLU  19  73.318   3.415 -11.717
  145   1HB   GLU  19           HB2      GLU  19  74.724   1.162 -10.690
  146   2HB   GLU  19           HB1      GLU  19  73.015   0.904 -10.340
  147   1HG   GLU  19           HG2      GLU  19  74.219   1.543 -13.047
  148   2HG   GLU  19           HG1      GLU  19  73.515   0.003 -12.549
  149    H    PHE  20           HN       PHE  20  73.560   2.732  -8.229
  150    HA   PHE  20           HA       PHE  20  70.770   2.652  -7.630
  151   1HB   PHE  20           HB2      PHE  20  73.338   3.221  -6.188
  152   2HB   PHE  20           HB1      PHE  20  71.820   3.538  -5.350
  153    HD1  PHE  20           HD1      PHE  20  73.452   0.875  -7.435
  154    HD2  PHE  20           HD2      PHE  20  70.805   1.796  -4.178
  155    HE1  PHE  20           HE1      PHE  20  73.219  -1.543  -6.940
  156    HE2  PHE  20           HE2      PHE  20  70.573  -0.623  -3.685
  157    HZ   PHE  20           HZ       PHE  20  71.780  -2.292  -5.065
  158    H    LYS  21           HN       LYS  21  73.001   5.336  -8.127
  159    HA   LYS  21           HA       LYS  21  71.575   7.473  -6.955
  160   1HB   LYS  21           HB2      LYS  21  73.884   7.377  -8.053
  161   2HB   LYS  21           HB1      LYS  21  73.051   7.541  -9.599
  162   1HG   LYS  21           HG2      LYS  21  72.034   9.653  -8.836
  163   2HG   LYS  21           HG1      LYS  21  72.854   9.489  -7.283
  164   1HD   LYS  21           HD2      LYS  21  75.007   9.748  -8.275
  165   2HD   LYS  21           HD1      LYS  21  74.363   9.528  -9.902
  166   1HE   LYS  21           HE2      LYS  21  73.180  11.652  -9.787
  167   2HE   LYS  21           HE1      LYS  21  73.641  11.854  -8.085
  168   1HZ   LYS  21           HZ3      LYS  21  75.572  11.525 -10.319
  169   2HZ   LYS  21           HZ2      LYS  21  75.152  13.023  -9.635
  170   3HZ   LYS  21           HZ1      LYS  21  75.945  11.850  -8.697
  171    H    ALA  22           HN       ALA  22  71.498   6.608 -10.435
  172    HA   ALA  22           HA       ALA  22  69.349   8.230 -11.221
  173   1HB   ALA  22           HB2      ALA  22  70.684   5.741 -12.107
  174   2HB   ALA  22           HB1      ALA  22  69.068   5.991 -12.766
  175   3HB   ALA  22           HB3      ALA  22  70.321   7.205 -13.021
  176    H    ALA  23           HN       ALA  23  69.224   4.923  -9.868
  177    HA   ALA  23           HA       ALA  23  66.347   4.675 -10.068
  178   1HB   ALA  23           HB3      ALA  23  68.601   3.281  -8.634
  179   2HB   ALA  23           HB2      ALA  23  66.928   2.820  -8.315
  180   3HB   ALA  23           HB1      ALA  23  67.586   2.678  -9.944
  181    H    PHE  24           HN       PHE  24  68.553   5.933  -7.619
  182    HA   PHE  24           HA       PHE  24  66.828   5.977  -5.366
  183   1HB   PHE  24           HB2      PHE  24  69.171   6.449  -5.162
  184   2HB   PHE  24           HB1      PHE  24  69.075   7.757  -6.342
  185    HD1  PHE  24           HD2      PHE  24  66.456   7.225  -3.815
  186    HD2  PHE  24           HD1      PHE  24  69.995   9.443  -4.822
  187    HE1  PHE  24           HE2      PHE  24  65.964   8.835  -1.994
  188    HE2  PHE  24           HE1      PHE  24  69.503  11.052  -3.000
  189    HZ   PHE  24           HZ       PHE  24  67.488  10.748  -1.586
  190    H    ASP  25           HN       ASP  25  67.260   8.365  -7.986
  191    HA   ASP  25           HA       ASP  25  65.372  10.279  -6.914
  192   1HB   ASP  25           HB2      ASP  25  66.852   9.760  -9.467
  193   2HB   ASP  25           HB1      ASP  25  65.528  10.926  -9.495
  194    H    ILE  26           HN       ILE  26  64.959   7.255  -8.466
  195    HA   ILE  26           HA       ILE  26  62.406   7.909  -9.771
  196    HB   ILE  26           HB       ILE  26  63.985   5.376  -9.264
  197   1HG1  ILE  26          HG12      ILE  26  63.640   7.310 -11.553
  198   2HG1  ILE  26          HG11      ILE  26  65.132   6.685 -10.853
  199   1HG2  ILE  26          HG23      ILE  26  61.430   5.113  -9.464
  200   2HG2  ILE  26          HG22      ILE  26  61.621   5.668 -11.126
  201   3HG2  ILE  26          HG21      ILE  26  62.415   4.186 -10.595
  202   1HD1  ILE  26          HD11      ILE  26  63.831   4.394 -11.709
  203   2HD1  ILE  26          HD13      ILE  26  63.456   5.564 -12.973
  204   3HD1  ILE  26          HD12      ILE  26  65.137   5.211 -12.568
  205    H    PHE  27           HN       PHE  27  63.494   6.394  -6.751
  206    HA   PHE  27           HA       PHE  27  60.819   5.438  -6.040
  207   1HB   PHE  27           HB2      PHE  27  63.242   5.819  -4.267
  208   2HB   PHE  27           HB1      PHE  27  61.953   4.628  -4.094
  209    HD1  PHE  27           HD1      PHE  27  61.593   3.376  -6.596
  210    HD2  PHE  27           HD2      PHE  27  65.258   4.821  -4.886
  211    HE1  PHE  27           HE1      PHE  27  62.874   1.776  -7.992
  212    HE2  PHE  27           HE2      PHE  27  66.540   3.222  -6.282
  213    HZ   PHE  27           HZ       PHE  27  65.348   1.699  -7.834
  214    H    VAL  28           HN       VAL  28  62.463   8.444  -5.876
  215    HA   VAL  28           HA       VAL  28  60.795   9.406  -3.606
  216    HB   VAL  28           HB       VAL  28  62.440  11.178  -3.535
  217   1HG1  VAL  28          HG11      VAL  28  63.054   8.449  -3.278
  218   2HG1  VAL  28          HG13      VAL  28  64.420   9.157  -4.137
  219   3HG1  VAL  28          HG12      VAL  28  63.935   9.801  -2.568
  220   1HG2  VAL  28          HG21      VAL  28  62.551  11.389  -6.061
  221   2HG2  VAL  28          HG23      VAL  28  64.108  11.502  -5.239
  222   3HG2  VAL  28          HG22      VAL  28  63.644  10.006  -6.051
  223    H    LEU  29           HN       LEU  29  60.168   9.027  -6.712
  224    HA   LEU  29           HA       LEU  29  59.695  11.604  -7.832
  225   1HB   LEU  29           HB2      LEU  29  58.879   8.794  -8.232
  226   2HB   LEU  29           HB1      LEU  29  57.732   9.979  -8.859
  227    HG   LEU  29           HG       LEU  29  60.584  10.537  -9.439
  228   1HD1  LEU  29          HD12      LEU  29  59.091   8.242 -10.747
  229   2HD1  LEU  29          HD11      LEU  29  60.618   8.915 -11.317
  230   3HD1  LEU  29          HD13      LEU  29  60.542   8.103  -9.754
  231   1HD2  LEU  29          HD21      LEU  29  58.397  11.728 -10.240
  232   2HD2  LEU  29          HD23      LEU  29  59.689  11.454 -11.408
  233   3HD2  LEU  29          HD22      LEU  29  58.285  10.386 -11.380
  234    H    GLY  30           HN       GLY  30  58.167  10.024  -5.198
  235   1HA   GLY  30           HA2      GLY  30  55.886  11.955  -5.360
  236   2HA   GLY  30           HA1      GLY  30  55.712  10.336  -4.681
  237    H    ALA  31           HN       ALA  31  58.703  11.181  -3.739
  238    HA   ALA  31           HA       ALA  31  58.040  11.559  -0.989
  239   1HB   ALA  31           HB3      ALA  31  60.219  10.834  -2.281
  240   2HB   ALA  31           HB2      ALA  31  60.585  12.558  -2.247
  241   3HB   ALA  31           HB1      ALA  31  60.369  11.672  -0.737
  242    H    GLU  32           HN       GLU  32  59.264  13.680   0.065
  243    HA   GLU  32           HA       GLU  32  57.994  16.060  -1.255
  244   1HB   GLU  32           HB2      GLU  32  58.281  15.164   1.619
  245   2HB   GLU  32           HB1      GLU  32  57.888  16.835   1.209
  246   1HG   GLU  32           HG2      GLU  32  55.753  16.307   0.685
  247   2HG   GLU  32           HG1      GLU  32  56.256  14.911  -0.271
  248    H    ASP  33           HN       ASP  33  60.772  14.831   0.570
  249    HA   ASP  33           HA       ASP  33  62.217  17.401   0.033
  250   1HB   ASP  33           HB2      ASP  33  63.654  16.634   1.917
  251   2HB   ASP  33           HB1      ASP  33  61.957  16.741   2.390
  252    H    GLY  34           HN       GLY  34  62.015  14.099  -0.861
  253   1HA   GLY  34           HA2      GLY  34  63.291  13.399  -2.861
  254   2HA   GLY  34           HA1      GLY  34  64.660  14.318  -2.234
  255    H    CYS  35           HN       CYS  35  62.484  11.933  -0.699
  256    HA   CYS  35           HA       CYS  35  64.922  10.307  -0.034
  257   1HB   CYS  35           HB2      CYS  35  62.617  11.324   1.599
  258   2HB   CYS  35           HB1      CYS  35  63.360   9.790   2.051
  259    HG   CYS  35           HG       CYS  35  64.530  12.446   2.683
  260    H    ILE  36           HN       ILE  36  64.166   7.993   0.635
  261    HA   ILE  36           HA       ILE  36  62.029   7.119  -1.279
  262    HB   ILE  36           HB       ILE  36  64.092   5.264  -0.135
  263   1HG1  ILE  36          HG12      ILE  36  64.662   7.207  -2.399
  264   2HG1  ILE  36          HG11      ILE  36  65.351   7.328  -0.780
  265   1HG2  ILE  36          HG21      ILE  36  62.307   5.479  -2.477
  266   2HG2  ILE  36          HG23      ILE  36  63.915   4.850  -2.837
  267   3HG2  ILE  36          HG22      ILE  36  62.899   4.042  -1.642
  268   1HD1  ILE  36          HD11      ILE  36  66.119   4.867  -1.184
  269   2HD1  ILE  36          HD13      ILE  36  65.847   5.236  -2.887
  270   3HD1  ILE  36          HD12      ILE  36  67.019   6.171  -1.959
  271    H    SER  37           HN       SER  37  60.682   7.832   0.749
  272    HA   SER  37           HA       SER  37  60.589   6.662   3.234
  273   1HB   SER  37           HB2      SER  37  58.747   7.963   3.049
  274   2HB   SER  37           HB1      SER  37  58.736   7.794   1.296
  275    HG   SER  37           HG       SER  37  56.876   6.890   2.374
  276    H    THR  38           HN       THR  38  59.167   4.829   4.024
  277    HA   THR  38           HA       THR  38  59.924   2.333   2.838
  278    HB   THR  38           HB       THR  38  59.386   2.749   5.230
  279    HG1  THR  38           HG1      THR  38  57.577   0.901   4.078
  280   1HG2  THR  38          HG22      THR  38  57.357   4.223   4.454
  281   2HG2  THR  38          HG21      THR  38  56.477   2.697   4.513
  282   3HG2  THR  38          HG23      THR  38  57.255   3.322   5.967
  283    H    LYS  39           HN       LYS  39  56.974   4.301   2.616
  284    HA   LYS  39           HA       LYS  39  55.229   2.465   1.372
  285   1HB   LYS  39           HB2      LYS  39  54.717   4.782   2.163
  286   2HB   LYS  39           HB1      LYS  39  55.610   5.421   0.781
  287   1HG   LYS  39           HG2      LYS  39  53.587   3.399   0.072
  288   2HG   LYS  39           HG1      LYS  39  52.918   4.873   0.770
  289   1HD   LYS  39           HD2      LYS  39  54.792   5.891  -0.954
  290   2HD   LYS  39           HD1      LYS  39  54.242   4.462  -1.831
  291   1HE   LYS  39           HE2      LYS  39  51.878   5.213  -1.521
  292   2HE   LYS  39           HE1      LYS  39  52.484   6.694  -0.753
  293   1HZ   LYS  39           HZ2      LYS  39  53.852   7.079  -2.742
  294   2HZ   LYS  39           HZ1      LYS  39  53.136   5.732  -3.488
  295   3HZ   LYS  39           HZ3      LYS  39  52.191   7.085  -3.099
  296    H    GLU  40           HN       GLU  40  57.708   4.572  -0.101
  297    HA   GLU  40           HA       GLU  40  57.215   3.403  -2.772
  298   1HB   GLU  40           HB2      GLU  40  59.296   5.394  -1.816
  299   2HB   GLU  40           HB1      GLU  40  58.765   5.136  -3.479
  300   1HG   GLU  40           HG2      GLU  40  56.382   5.623  -2.213
  301   2HG   GLU  40           HG1      GLU  40  57.481   6.671  -1.315
  302    H    LEU  41           HN       LEU  41  58.258   1.663  -0.603
  303    HA   LEU  41           HA       LEU  41  60.982   1.054  -1.702
  304   1HB   LEU  41           HB2      LEU  41  60.890   1.743   0.668
  305   2HB   LEU  41           HB1      LEU  41  59.720   0.466   0.997
  306    HG   LEU  41           HG       LEU  41  62.183  -0.034   1.558
  307   1HD1  LEU  41          HD13      LEU  41  60.094  -1.640   0.817
  308   2HD1  LEU  41          HD12      LEU  41  61.333  -2.130  -0.339
  309   3HD1  LEU  41          HD11      LEU  41  61.652  -2.239   1.393
  310   1HD2  LEU  41          HD21      LEU  41  62.935   0.942  -0.701
  311   2HD2  LEU  41          HD23      LEU  41  63.657  -0.596  -0.228
  312   3HD2  LEU  41          HD22      LEU  41  62.353  -0.562  -1.415
  313    H    GLY  42           HN       GLY  42  57.902  -0.356  -0.596
  314   1HA   GLY  42           HA2      GLY  42  58.536  -3.084  -1.126
  315   2HA   GLY  42           HA1      GLY  42  56.902  -2.416  -1.114
  316    H    LYS  43           HN       LYS  43  56.341  -1.105  -3.150
  317    HA   LYS  43           HA       LYS  43  56.400  -2.668  -5.465
  318   1HB   LYS  43           HB2      LYS  43  56.170   0.287  -4.909
  319   2HB   LYS  43           HB1      LYS  43  56.098  -0.311  -6.567
  320   1HG   LYS  43           HG2      LYS  43  53.871  -0.529  -6.111
  321   2HG   LYS  43           HG1      LYS  43  54.385  -2.040  -5.359
  322   1HD   LYS  43           HD2      LYS  43  54.478  -1.008  -3.180
  323   2HD   LYS  43           HD1      LYS  43  54.221   0.595  -3.872
  324   1HE   LYS  43           HE2      LYS  43  52.027  -0.669  -4.846
  325   2HE   LYS  43           HE1      LYS  43  52.246  -1.558  -3.325
  326   1HZ   LYS  43           HZ1      LYS  43  52.294   1.403  -3.568
  327   2HZ   LYS  43           HZ3      LYS  43  50.953   0.511  -3.039
  328   3HZ   LYS  43           HZ2      LYS  43  52.389   0.503  -2.130
  329    H    VAL  44           HN       VAL  44  58.710  -0.137  -4.473
  330    HA   VAL  44           HA       VAL  44  60.339  -0.090  -6.798
  331    HB   VAL  44           HB       VAL  44  60.873   0.304  -3.841
  332   1HG1  VAL  44          HG13      VAL  44  62.699   0.487  -6.211
  333   2HG1  VAL  44          HG12      VAL  44  62.879   1.664  -4.910
  334   3HG1  VAL  44          HG11      VAL  44  63.048  -0.059  -4.571
  335   1HG2  VAL  44          HG22      VAL  44  60.281   2.107  -6.195
  336   2HG2  VAL  44          HG21      VAL  44  59.393   1.969  -4.677
  337   3HG2  VAL  44          HG23      VAL  44  60.986   2.726  -4.702
  338    H    MET  45           HN       MET  45  60.561  -2.128  -3.874
  339    HA   MET  45           HA       MET  45  62.909  -3.578  -4.567
  340   1HB   MET  45           HB2      MET  45  60.535  -3.867  -2.798
  341   2HB   MET  45           HB1      MET  45  61.447  -5.343  -3.117
  342   1HG   MET  45           HG2      MET  45  63.003  -2.891  -2.430
  343   2HG   MET  45           HG1      MET  45  62.116  -3.682  -1.127
  344   1HE   MET  45           HE3      MET  45  65.022  -3.003  -1.844
  345   2HE   MET  45           HE2      MET  45  65.261  -3.983  -0.400
  346   3HE   MET  45           HE1      MET  45  66.137  -4.376  -1.877
  347    H    ARG  46           HN       ARG  46  59.573  -3.905  -5.635
  348    HA   ARG  46           HA       ARG  46  59.783  -6.559  -6.747
  349   1HB   ARG  46           HB2      ARG  46  57.996  -4.182  -7.357
  350   2HB   ARG  46           HB1      ARG  46  57.694  -5.828  -7.913
  351   1HG   ARG  46           HG2      ARG  46  58.122  -5.275  -4.987
  352   2HG   ARG  46           HG1      ARG  46  56.537  -5.020  -5.717
  353   1HD   ARG  46           HD2      ARG  46  56.457  -7.345  -6.470
  354   2HD   ARG  46           HD1      ARG  46  58.101  -7.623  -5.861
  355    HE   ARG  46           HE       ARG  46  57.188  -7.047  -3.571
  356   1HH1  ARG  46          HH21      ARG  46  55.544  -8.882  -5.886
  357   2HH1  ARG  46          HH22      ARG  46  54.086  -9.044  -4.963
  358   1HH2  ARG  46          HH11      ARG  46  55.112  -6.867  -2.466
  359   2HH2  ARG  46          HH12      ARG  46  53.844  -7.904  -3.026
  360    H    MET  47           HN       MET  47  60.095  -3.292  -8.175
  361    HA   MET  47           HA       MET  47  60.738  -4.319 -10.829
  362   1HB   MET  47           HB2      MET  47  61.105  -1.921 -11.286
  363   2HB   MET  47           HB1      MET  47  59.614  -2.156 -10.374
  364   1HG   MET  47           HG2      MET  47  60.662  -1.484  -8.324
  365   2HG   MET  47           HG1      MET  47  62.265  -1.524  -9.058
  366   1HE   MET  47           HE3      MET  47  63.407   0.095  -9.653
  367   2HE   MET  47           HE2      MET  47  62.852   0.391 -11.297
  368   3HE   MET  47           HE1      MET  47  62.988   1.734 -10.165
  369    H    LEU  48           HN       LEU  48  62.578  -3.242  -8.003
  370    HA   LEU  48           HA       LEU  48  65.133  -2.946  -9.256
  371   1HB   LEU  48           HB2      LEU  48  63.933  -2.966  -6.641
  372   2HB   LEU  48           HB1      LEU  48  65.413  -3.925  -6.599
  373    HG   LEU  48           HG       LEU  48  65.432  -1.264  -7.986
  374   1HD1  LEU  48          HD11      LEU  48  64.703  -1.590  -5.263
  375   2HD1  LEU  48          HD13      LEU  48  66.375  -1.028  -5.276
  376   3HD1  LEU  48          HD12      LEU  48  65.123  -0.091  -6.091
  377   1HD2  LEU  48          HD21      LEU  48  67.449  -2.932  -6.450
  378   2HD2  LEU  48          HD23      LEU  48  67.399  -2.677  -8.194
  379   3HD2  LEU  48          HD22      LEU  48  67.792  -1.336  -7.118
  380    H    GLY  49           HN       GLY  49  63.322  -5.769  -8.224
  381   1HA   GLY  49           HA2      GLY  49  64.036  -7.859  -9.500
  382   2HA   GLY  49           HA1      GLY  49  65.668  -7.481  -8.947
  383    H    GLN  50           HN       GLN  50  63.687  -6.574  -6.472
  384    HA   GLN  50           HA       GLN  50  64.151  -9.169  -5.061
  385   1HB   GLN  50           HB2      GLN  50  63.858  -6.276  -4.259
  386   2HB   GLN  50           HB1      GLN  50  63.719  -7.565  -3.063
  387   1HG   GLN  50           HG2      GLN  50  65.966  -7.589  -2.929
  388   2HG   GLN  50           HG1      GLN  50  66.000  -8.202  -4.583
  389   1HE2  GLN  50          HE22      GLN  50  67.990  -5.168  -4.881
  390   2HE2  GLN  50          HE21      GLN  50  68.144  -6.785  -4.386
  391    H    ASN  51           HN       ASN  51  62.427  -9.618  -3.320
  392    HA   ASN  51           HA       ASN  51  59.694  -8.711  -4.075
  393   1HB   ASN  51           HB2      ASN  51  58.958 -11.037  -4.319
  394   2HB   ASN  51           HB1      ASN  51  60.305 -10.733  -5.417
  395   1HD2  ASN  51          HD21      ASN  51  62.473 -11.558  -4.738
  396   2HD2  ASN  51          HD22      ASN  51  62.575 -12.853  -3.644
  397    HA   PRO  52           HA       PRO  52  60.628  -9.415   0.476
  398   1HB   PRO  52           HB2      PRO  52  60.222  -6.828   1.281
  399   2HB   PRO  52           HB1      PRO  52  61.803  -7.443   0.759
  400   1HG   PRO  52           HG2      PRO  52  59.811  -5.829  -0.754
  401   2HG   PRO  52           HG1      PRO  52  61.578  -5.715  -0.739
  402   1HD   PRO  52           HD2      PRO  52  60.181  -6.919  -2.739
  403   2HD   PRO  52           HD1      PRO  52  61.833  -7.392  -2.282
  404    H    THR  53           HN       THR  53  59.013  -8.720   2.315
  405    HA   THR  53           HA       THR  53  56.253  -8.985   1.211
  406    HB   THR  53           HB       THR  53  56.089  -9.396   3.905
  407    HG1  THR  53           HG1      THR  53  58.518 -10.613   3.306
  408   1HG2  THR  53          HG23      THR  53  56.674 -11.155   1.561
  409   2HG2  THR  53          HG22      THR  53  56.731 -11.871   3.171
  410   3HG2  THR  53          HG21      THR  53  55.249 -11.106   2.598
  411    HA   PRO  54           HA       PRO  54  55.013  -5.036   2.662
  412   1HB   PRO  54           HB2      PRO  54  52.581  -5.526   3.817
  413   2HB   PRO  54           HB1      PRO  54  52.844  -5.575   2.062
  414   1HG   PRO  54           HG2      PRO  54  52.644  -7.814   4.009
  415   2HG   PRO  54           HG1      PRO  54  52.044  -7.705   2.348
  416   1HD   PRO  54           HD2      PRO  54  54.318  -9.047   3.064
  417   2HD   PRO  54           HD1      PRO  54  54.042  -8.358   1.449
  418    H    GLU  55           HN       GLU  55  54.645  -7.613   5.099
  419    HA   GLU  55           HA       GLU  55  54.667  -5.790   7.370
  420   1HB   GLU  55           HB2      GLU  55  55.255  -8.764   7.200
  421   2HB   GLU  55           HB1      GLU  55  54.723  -7.877   8.630
  422   1HG   GLU  55           HG2      GLU  55  52.553  -7.866   7.962
  423   2HG   GLU  55           HG1      GLU  55  52.979  -7.520   6.286
  424    H    GLU  56           HN       GLU  56  57.094  -7.288   5.383
  425    HA   GLU  56           HA       GLU  56  59.251  -7.090   7.361
  426   1HB   GLU  56           HB2      GLU  56  58.831  -7.949   4.540
  427   2HB   GLU  56           HB1      GLU  56  60.470  -7.468   4.983
  428   1HG   GLU  56           HG2      GLU  56  58.894  -9.381   6.701
  429   2HG   GLU  56           HG1      GLU  56  59.819  -9.954   5.312
  430    H    LEU  57           HN       LEU  57  58.008  -5.167   4.662
  431    HA   LEU  57           HA       LEU  57  60.068  -3.390   4.107
  432   1HB   LEU  57           HB2      LEU  57  57.204  -3.523   3.931
  433   2HB   LEU  57           HB1      LEU  57  57.662  -1.890   4.419
  434    HG   LEU  57           HG       LEU  57  59.518  -2.585   2.440
  435   1HD1  LEU  57          HD13      LEU  57  57.655  -4.432   2.046
  436   2HD1  LEU  57          HD12      LEU  57  56.813  -3.096   1.259
  437   3HD1  LEU  57          HD11      LEU  57  58.401  -3.603   0.680
  438   1HD2  LEU  57          HD21      LEU  57  58.466  -0.371   2.854
  439   2HD2  LEU  57          HD23      LEU  57  58.373  -0.832   1.154
  440   3HD2  LEU  57          HD22      LEU  57  56.953  -0.984   2.188
  441    H    GLN  58           HN       GLN  58  57.509  -2.215   6.270
  442    HA   GLN  58           HA       GLN  58  59.030  -0.267   7.600
  443   1HB   GLN  58           HB2      GLN  58  56.664  -0.288   7.813
  444   2HB   GLN  58           HB1      GLN  58  56.649  -1.965   8.360
  445   1HG   GLN  58           HG2      GLN  58  56.275  -0.548  10.287
  446   2HG   GLN  58           HG1      GLN  58  57.896  -1.229  10.418
  447   1HE2  GLN  58          HE22      GLN  58  59.532   1.912   9.791
  448   2HE2  GLN  58          HE21      GLN  58  59.723   0.233   9.627
  449    H    GLU  59           HN       GLU  59  59.103  -3.719   7.992
  450    HA   GLU  59           HA       GLU  59  60.247  -3.709  10.683
  451   1HB   GLU  59           HB2      GLU  59  59.288  -5.564   8.656
  452   2HB   GLU  59           HB1      GLU  59  60.781  -6.143   9.397
  453   1HG   GLU  59           HG2      GLU  59  59.318  -5.174  11.555
  454   2HG   GLU  59           HG1      GLU  59  58.100  -5.950  10.542
  455    H    MET  60           HN       MET  60  61.528  -4.257   7.383
  456    HA   MET  60           HA       MET  60  64.258  -4.657   8.218
  457   1HB   MET  60           HB2      MET  60  62.672  -4.294   5.754
  458   2HB   MET  60           HB1      MET  60  64.348  -3.759   5.621
  459   1HG   MET  60           HG2      MET  60  64.713  -6.114   6.915
  460   2HG   MET  60           HG1      MET  60  63.261  -6.495   5.989
  461   1HE   MET  60           HE3      MET  60  66.733  -4.741   5.769
  462   2HE   MET  60           HE2      MET  60  66.932  -6.463   6.081
  463   3HE   MET  60           HE1      MET  60  67.512  -5.777   4.565
  464    H    ILE  61           HN       ILE  61  62.626  -1.814   6.756
  465    HA   ILE  61           HA       ILE  61  64.822  -0.023   6.861
  466    HB   ILE  61           HB       ILE  61  61.824   0.384   7.098
  467   1HG1  ILE  61          HG12      ILE  61  63.513   0.940   4.675
  468   2HG1  ILE  61          HG11      ILE  61  63.039  -0.721   5.030
  469   1HG2  ILE  61          HG21      ILE  61  63.556   2.288   7.813
  470   2HG2  ILE  61          HG23      ILE  61  63.666   2.501   6.066
  471   3HG2  ILE  61          HG22      ILE  61  62.109   2.668   6.878
  472   1HD1  ILE  61          HD12      ILE  61  60.643   0.199   5.264
  473   2HD1  ILE  61          HD11      ILE  61  61.257   1.653   4.476
  474   3HD1  ILE  61          HD13      ILE  61  61.309   0.105   3.633
  475    H    ASP  62           HN       ASP  62  62.227  -0.561   9.274
  476    HA   ASP  62           HA       ASP  62  63.089   1.356  11.189
  477   1HB   ASP  62           HB2      ASP  62  60.929   0.021  11.052
  478   2HB   ASP  62           HB1      ASP  62  61.823  -1.347  11.720
  479    H    GLU  63           HN       GLU  63  64.475  -1.690  10.285
  480    HA   GLU  63           HA       GLU  63  65.999  -1.942  12.820
  481   1HB   GLU  63           HB2      GLU  63  65.592  -3.583  10.317
  482   2HB   GLU  63           HB1      GLU  63  66.832  -4.012  11.497
  483   1HG   GLU  63           HG2      GLU  63  64.338  -3.431  12.843
  484   2HG   GLU  63           HG1      GLU  63  64.086  -4.661  11.605
  485    H    VAL  64           HN       VAL  64  66.398  -0.777   9.554
  486    HA   VAL  64           HA       VAL  64  69.364  -0.678   9.893
  487    HB   VAL  64           HB       VAL  64  68.061  -1.651   7.856
  488   1HG1  VAL  64          HG12      VAL  64  66.524   0.265   7.592
  489   2HG1  VAL  64          HG11      VAL  64  67.897   1.322   7.267
  490   3HG1  VAL  64          HG13      VAL  64  67.495   0.027   6.138
  491   1HG2  VAL  64          HG22      VAL  64  70.569  -0.837   8.120
  492   2HG2  VAL  64          HG21      VAL  64  69.929  -1.262   6.533
  493   3HG2  VAL  64          HG23      VAL  64  70.046   0.431   7.014
  494    H    ASP  65           HN       ASP  65  66.508   1.311   9.826
  495    HA   ASP  65           HA       ASP  65  67.857   3.825   9.229
  496   1HB   ASP  65           HB2      ASP  65  65.301   2.904   9.200
  497   2HB   ASP  65           HB1      ASP  65  65.300   3.765  10.740
  498    H    GLU  66           HN       GLU  66  69.557   4.121  10.750
  499    HA   GLU  66           HA       GLU  66  68.768   4.180  13.640
  500   1HB   GLU  66           HB2      GLU  66  70.631   2.677  12.733
  501   2HB   GLU  66           HB1      GLU  66  71.542   4.156  12.426
  502   1HG   GLU  66           HG2      GLU  66  71.002   4.720  14.915
  503   2HG   GLU  66           HG1      GLU  66  70.670   2.993  15.061
  504    H    ASP  67           HN       ASP  67  67.995   6.395  12.052
  505    HA   ASP  67           HA       ASP  67  69.922   8.498  12.991
  506   1HB   ASP  67           HB2      ASP  67  68.966   9.746  10.939
  507   2HB   ASP  67           HB1      ASP  67  70.068   8.406  10.620
  508    H    GLY  68           HN       GLY  68  66.580   7.463  12.639
  509   1HA   GLY  68           HA2      GLY  68  64.843   8.159  14.166
  510   2HA   GLY  68           HA1      GLY  68  65.781   9.608  14.530
  511    H    SER  69           HN       SER  69  65.635   8.848  11.200
  512    HA   SER  69           HA       SER  69  64.031  11.254  10.673
  513   1HB   SER  69           HB2      SER  69  64.586  10.553   8.293
  514   2HB   SER  69           HB1      SER  69  65.986  10.797   9.333
  515    HG   SER  69           HG       SER  69  66.087   8.827   8.152
  516    H    GLY  70           HN       GLY  70  63.781   7.831   9.605
  517   1HA   GLY  70           HA2      GLY  70  61.647   6.614   9.943
  518   2HA   GLY  70           HA1      GLY  70  60.809   8.147   9.702
  519    H    THR  71           HN       THR  71  63.364   8.043   7.569
  520    HA   THR  71           HA       THR  71  61.791   6.655   5.440
  521    HB   THR  71           HB       THR  71  62.569   8.744   4.040
  522    HG1  THR  71           HG1      THR  71  62.340   9.963   6.562
  523   1HG2  THR  71          HG23      THR  71  60.246   8.156   5.653
  524   2HG2  THR  71          HG22      THR  71  60.506   9.899   5.575
  525   3HG2  THR  71          HG21      THR  71  60.333   8.966   4.089
  526    H    VAL  72           HN       VAL  72  63.160   6.075   3.571
  527    HA   VAL  72           HA       VAL  72  66.008   5.682   4.381
  528    HB   VAL  72           HB       VAL  72  64.647   4.387   2.025
  529   1HG1  VAL  72          HG11      VAL  72  67.020   3.978   3.719
  530   2HG1  VAL  72          HG13      VAL  72  66.110   2.505   3.383
  531   3HG1  VAL  72          HG12      VAL  72  66.727   3.484   2.052
  532   1HG2  VAL  72          HG21      VAL  72  63.936   4.088   4.883
  533   2HG2  VAL  72          HG23      VAL  72  63.007   3.668   3.444
  534   3HG2  VAL  72          HG22      VAL  72  64.256   2.573   4.037
  535    H    ASP  73           HN       ASP  73  67.572   6.829   3.319
  536    HA   ASP  73           HA       ASP  73  66.773   8.298   0.835
  537   1HB   ASP  73           HB2      ASP  73  68.925   9.634   1.576
  538   2HB   ASP  73           HB1      ASP  73  67.402   9.898   2.418
  539    H    PHE  74           HN       PHE  74  70.113   7.874   1.814
  540    HA   PHE  74           HA       PHE  74  70.496   5.929  -0.434
  541   1HB   PHE  74           HB2      PHE  74  71.031   8.482  -0.753
  542   2HB   PHE  74           HB1      PHE  74  72.463   8.112   0.208
  543    HD1  PHE  74           HD2      PHE  74  73.552   5.696  -0.549
  544    HD2  PHE  74           HD1      PHE  74  71.356   8.410  -3.051
  545    HE1  PHE  74           HE2      PHE  74  74.652   4.737  -2.554
  546    HE2  PHE  74           HE1      PHE  74  72.456   7.451  -5.057
  547    HZ   PHE  74           HZ       PHE  74  74.105   5.615  -4.808
  548    H    ASP  75           HN       ASP  75  71.937   7.367   2.508
  549    HA   ASP  75           HA       ASP  75  74.054   5.453   2.805
  550   1HB   ASP  75           HB2      ASP  75  74.264   6.449   4.986
  551   2HB   ASP  75           HB1      ASP  75  73.724   7.732   3.901
  552    H    GLU  76           HN       GLU  76  70.709   5.524   4.049
  553    HA   GLU  76           HA       GLU  76  71.073   2.962   5.463
  554   1HB   GLU  76           HB2      GLU  76  68.591   4.625   4.931
  555   2HB   GLU  76           HB1      GLU  76  68.785   3.394   6.179
  556   1HG   GLU  76           HG2      GLU  76  69.766   4.863   7.579
  557   2HG   GLU  76           HG1      GLU  76  70.903   5.377   6.332
  558    H    PHE  77           HN       PHE  77  69.237   4.188   2.646
  559    HA   PHE  77           HA       PHE  77  67.794   1.952   1.863
  560   1HB   PHE  77           HB2      PHE  77  67.886   4.168   0.734
  561   2HB   PHE  77           HB1      PHE  77  69.486   3.767   0.110
  562    HD1  PHE  77           HD1      PHE  77  65.883   3.030  -0.100
  563    HD2  PHE  77           HD2      PHE  77  69.781   2.093  -1.642
  564    HE1  PHE  77           HE1      PHE  77  64.842   1.841  -2.011
  565    HE2  PHE  77           HE2      PHE  77  68.740   0.903  -3.553
  566    HZ   PHE  77           HZ       PHE  77  66.270   0.777  -3.737
  567    H    LEU  78           HN       LEU  78  71.286   2.512   1.452
  568    HA   LEU  78           HA       LEU  78  71.756   0.091  -0.089
  569   1HB   LEU  78           HB2      LEU  78  73.305   2.270   1.233
  570   2HB   LEU  78           HB1      LEU  78  74.170   0.768   0.905
  571    HG   LEU  78           HG       LEU  78  72.642   2.427  -1.122
  572   1HD1  LEU  78          HD11      LEU  78  74.843   3.354  -0.423
  573   2HD1  LEU  78          HD13      LEU  78  75.603   1.823  -0.853
  574   3HD1  LEU  78          HD12      LEU  78  74.854   2.817  -2.102
  575   1HD2  LEU  78          HD23      LEU  78  73.780  -0.330  -1.150
  576   2HD2  LEU  78          HD22      LEU  78  72.394   0.323  -2.025
  577   3HD2  LEU  78          HD21      LEU  78  74.031   0.655  -2.592
  578    H    VAL  79           HN       VAL  79  72.382   1.004   3.327
  579    HA   VAL  79           HA       VAL  79  73.497  -1.368   4.289
  580    HB   VAL  79           HB       VAL  79  71.351   0.312   5.631
  581   1HG1  VAL  79          HG12      VAL  79  72.175  -1.860   6.719
  582   2HG1  VAL  79          HG11      VAL  79  73.741  -1.063   6.875
  583   3HG1  VAL  79          HG13      VAL  79  72.326  -0.394   7.688
  584   1HG2  VAL  79          HG21      VAL  79  73.794   1.165   4.534
  585   2HG2  VAL  79          HG23      VAL  79  72.800   2.042   5.697
  586   3HG2  VAL  79          HG22      VAL  79  74.104   0.995   6.261
  587    H    MET  80           HN       MET  80  70.101  -0.680   3.538
  588    HA   MET  80           HA       MET  80  69.006  -3.111   4.646
  589   1HB   MET  80           HB2      MET  80  68.195  -0.760   3.164
  590   2HB   MET  80           HB1      MET  80  67.442  -2.196   2.471
  591   1HG   MET  80           HG2      MET  80  66.398  -2.777   4.514
  592   2HG   MET  80           HG1      MET  80  67.450  -1.716   5.450
  593   1HE   MET  80           HE3      MET  80  65.040  -1.743   2.415
  594   2HE   MET  80           HE2      MET  80  64.592  -0.045   2.270
  595   3HE   MET  80           HE1      MET  80  66.264  -0.532   2.007
  596    H    MET  81           HN       MET  81  70.372  -2.212   1.508
  597    HA   MET  81           HA       MET  81  69.596  -4.663   0.145
  598   1HB   MET  81           HB2      MET  81  71.477  -2.353  -0.342
  599   2HB   MET  81           HB1      MET  81  71.423  -3.721  -1.453
  600   1HG   MET  81           HG2      MET  81  68.799  -2.569  -0.678
  601   2HG   MET  81           HG1      MET  81  69.816  -1.561  -1.708
  602   1HE   MET  81           HE3      MET  81  68.094  -1.450  -3.053
  603   2HE   MET  81           HE2      MET  81  68.630  -2.078  -4.609
  604   3HE   MET  81           HE1      MET  81  67.177  -2.732  -3.858
  605    H    VAL  82           HN       VAL  82  72.787  -3.418   1.214
  606    HA   VAL  82           HA       VAL  82  74.324  -5.724   0.760
  607    HB   VAL  82           HB       VAL  82  75.289  -3.600   1.376
  608   1HG1  VAL  82          HG12      VAL  82  73.392  -3.868   3.661
  609   2HG1  VAL  82          HG11      VAL  82  74.919  -3.046   3.980
  610   3HG1  VAL  82          HG13      VAL  82  73.833  -2.437   2.730
  611   1HG2  VAL  82          HG22      VAL  82  75.958  -6.024   2.653
  612   2HG2  VAL  82          HG21      VAL  82  76.998  -4.613   2.447
  613   3HG2  VAL  82          HG23      VAL  82  76.031  -4.791   3.912
  614    H    ARG  83           HN       ARG  83  72.002  -5.068   3.313
  615    HA   ARG  83           HA       ARG  83  72.834  -7.101   5.172
  616   1HB   ARG  83           HB2      ARG  83  70.468  -5.381   4.610
  617   2HB   ARG  83           HB1      ARG  83  70.180  -6.803   5.613
  618   1HG   ARG  83           HG2      ARG  83  72.092  -6.098   7.071
  619   2HG   ARG  83           HG1      ARG  83  72.218  -4.616   6.120
  620   1HD   ARG  83           HD2      ARG  83  70.414  -3.681   7.150
  621   2HD   ARG  83           HD1      ARG  83  69.480  -5.189   7.063
  622    HE   ARG  83           HE       ARG  83  71.707  -4.911   9.037
  623   1HH1  ARG  83          HH11      ARG  83  69.995  -7.402   8.788
  624   2HH1  ARG  83          HH12      ARG  83  68.864  -7.172  10.079
  625   1HH2  ARG  83          HH21      ARG  83  69.577  -3.799  10.456
  626   2HH2  ARG  83          HH22      ARG  83  68.629  -5.132  11.026
  627    H    CYS  84           HN       CYS  84  70.003  -7.125   2.965
  628    HA   CYS  84           HA       CYS  84  69.626  -9.987   3.204
  629   1HB   CYS  84           HB2      CYS  84  68.585  -7.750   1.472
  630   2HB   CYS  84           HB1      CYS  84  68.123  -9.419   1.142
  631    HG   CYS  84           HG       CYS  84  66.855  -9.532   3.340
  632    H    MET  85           HN       MET  85  71.685  -8.001   1.260
  633    HA   MET  85           HA       MET  85  71.964  -9.527  -1.110
  634   1HB   MET  85           HB2      MET  85  73.408  -7.494   0.430
  635   2HB   MET  85           HB1      MET  85  74.490  -8.540  -0.490
  636   1HG   MET  85           HG2      MET  85  72.858  -8.142  -2.465
  637   2HG   MET  85           HG1      MET  85  72.263  -6.783  -1.511
  638   1HE   MET  85           HE1      MET  85  72.675  -5.011  -2.818
  639   2HE   MET  85           HE3      MET  85  73.518  -4.430  -1.375
  640   3HE   MET  85           HE2      MET  85  74.215  -4.166  -2.972
  641    H    LYS  86           HN       LYS  86  74.608 -10.371  -1.246
  642    HA   LYS  86           HA       LYS  86  75.234 -12.213   0.949
  643   1HB   LYS  86           HB2      LYS  86  73.270 -13.078  -0.614
  644   2HB   LYS  86           HB1      LYS  86  74.604 -13.504  -1.686
  645   1HG   LYS  86           HG2      LYS  86  75.511 -14.405   0.755
  646   2HG   LYS  86           HG1      LYS  86  73.779 -14.733   0.855
  647   1HD   LYS  86           HD2      LYS  86  73.831 -16.275  -0.846
  648   2HD   LYS  86           HD1      LYS  86  75.129 -15.443  -1.703
  649   1HE   LYS  86           HE2      LYS  86  75.940 -17.590  -0.769
  650   2HE   LYS  86           HE1      LYS  86  76.741 -16.228   0.041
  651   1HZ   LYS  86           HZ1      LYS  86  74.175 -17.060   1.133
  652   2HZ   LYS  86           HZ3      LYS  86  75.463 -18.136   1.375
  653   3HZ   LYS  86           HZ2      LYS  86  75.577 -16.537   1.936
  654    H    ASP  87           HN       ASP  87  76.742 -14.044  -0.648
  655    HA   ASP  87           HA       ASP  87  78.881 -14.219  -1.640
  656   1HB   ASP  87           HB2      ASP  87  77.273 -12.234  -3.065
  657   2HB   ASP  87           HB1      ASP  87  79.003 -11.940  -3.244
  658    H    ASP  88           HN       ASP  88  80.711 -12.226  -2.369
  659    HA   ASP  88           HA       ASP  88  81.763 -11.417   0.208
  660   1HB   ASP  88           HB2      ASP  88  82.499 -11.439  -2.636
  661   2HB   ASP  88           HB1      ASP  88  83.146 -10.047  -1.766
  662    H    SER  89           HN       SER  89  82.749  -8.847  -0.280
  663    HA   SER  89           HA       SER  89  82.132  -6.569  -0.129
  664   1HB   SER  89           HB2      SER  89  81.252  -7.312  -2.427
  665   2HB   SER  89           HB1      SER  89  79.673  -7.448  -1.660
  666    HG   SER  89           HG       SER  89  79.864  -5.393  -2.502
   
  No H/Q in entry =         666
  Start of MODEL   29
    1   1H    MET   1           HT3      MET   1  83.634  -3.718  17.714
    2   2H    MET   1           HT2      MET   1  85.063  -3.160  18.446
    3   3H    MET   1           HT1      MET   1  83.614  -2.291  18.631
    4    HA   MET   1           HA       MET   1  84.611  -1.037  16.999
    5   1HB   MET   1           HB2      MET   1  86.143  -2.099  15.378
    6   2HB   MET   1           HB1      MET   1  86.572  -2.559  17.026
    7   1HG   MET   1           HG2      MET   1  86.019  -4.740  16.694
    8   2HG   MET   1           HG1      MET   1  84.598  -4.332  15.734
    9   1HE   MET   1           HE1      MET   1  84.540  -5.766  14.272
   10   2HE   MET   1           HE3      MET   1  85.357  -5.711  12.704
   11   3HE   MET   1           HE2      MET   1  85.956  -6.772  13.977
   12    H    ASP   2           HN       ASP   2  82.021  -1.464  16.882
   13    HA   ASP   2           HA       ASP   2  80.803  -3.059  14.936
   14   1HB   ASP   2           HB2      ASP   2  80.312  -0.503  16.321
   15   2HB   ASP   2           HB1      ASP   2  79.449  -0.660  14.791
   16    H    ASP   3           HN       ASP   3  81.995  -3.285  12.989
   17    HA   ASP   3           HA       ASP   3  81.912  -0.914  11.186
   18   1HB   ASP   3           HB2      ASP   3  84.187  -1.672  12.568
   19   2HB   ASP   3           HB1      ASP   3  84.393  -2.481  11.014
   20    H    ILE   4           HN       ILE   4  80.876  -3.910  11.607
   21    HA   ILE   4           HA       ILE   4  81.754  -5.319   9.228
   22    HB   ILE   4           HB       ILE   4  79.297  -5.611  10.988
   23   1HG1  ILE   4          HG12      ILE   4  81.908  -7.135  11.140
   24   2HG1  ILE   4          HG11      ILE   4  81.604  -5.685  12.097
   25   1HG2  ILE   4          HG23      ILE   4  80.451  -7.193   8.747
   26   2HG2  ILE   4          HG22      ILE   4  79.870  -8.104  10.141
   27   3HG2  ILE   4          HG21      ILE   4  78.773  -7.036   9.266
   28   1HD1  ILE   4          HD13      ILE   4  79.701  -8.031  12.105
   29   2HD1  ILE   4          HD12      ILE   4  81.063  -7.930  13.220
   30   3HD1  ILE   4          HD11      ILE   4  79.797  -6.704  13.260
   31    H    TYR   5           HN       TYR   5  78.902  -3.335  10.037
   32    HA   TYR   5           HA       TYR   5  77.671  -3.703   7.411
   33   1HB   TYR   5           HB2      TYR   5  77.199  -1.910   9.806
   34   2HB   TYR   5           HB1      TYR   5  76.167  -1.876   8.375
   35    HD1  TYR   5           HD1      TYR   5  74.931  -3.946   7.678
   36    HD2  TYR   5           HD2      TYR   5  77.053  -3.685  11.403
   37    HE1  TYR   5           HE1      TYR   5  73.693  -5.922   8.521
   38    HE2  TYR   5           HE2      TYR   5  75.814  -5.662  12.247
   39    HH   TYR   5           HH       TYR   5  74.620  -7.628  11.287
   40    H    LYS   6           HN       LYS   6  79.239  -0.937   9.080
   41    HA   LYS   6           HA       LYS   6  79.111   0.981   7.043
   42   1HB   LYS   6           HB2      LYS   6  81.034   0.279   9.237
   43   2HB   LYS   6           HB1      LYS   6  81.472   1.565   8.113
   44   1HG   LYS   6           HG2      LYS   6  78.987   2.372   8.613
   45   2HG   LYS   6           HG1      LYS   6  79.244   1.467  10.106
   46   1HD   LYS   6           HD2      LYS   6  81.591   3.025   9.559
   47   2HD   LYS   6           HD1      LYS   6  80.179   4.078   9.471
   48   1HE   LYS   6           HE2      LYS   6  79.805   2.355  11.718
   49   2HE   LYS   6           HE1      LYS   6  81.440   3.039  11.822
   50   1HZ   LYS   6           HZ2      LYS   6  79.277   4.804  10.951
   51   2HZ   LYS   6           HZ1      LYS   6  79.334   4.402  12.602
   52   3HZ   LYS   6           HZ3      LYS   6  80.661   5.161  11.869
   53    H    ALA   7           HN       ALA   7  81.357  -1.753   7.374
   54    HA   ALA   7           HA       ALA   7  82.980  -0.977   5.067
   55   1HB   ALA   7           HB3      ALA   7  83.418  -2.455   7.248
   56   2HB   ALA   7           HB2      ALA   7  82.874  -3.752   6.185
   57   3HB   ALA   7           HB1      ALA   7  84.277  -2.780   5.743
   58    H    ALA   8           HN       ALA   8  80.166  -3.006   5.661
   59    HA   ALA   8           HA       ALA   8  80.231  -4.542   3.232
   60   1HB   ALA   8           HB3      ALA   8  78.847  -4.687   5.477
   61   2HB   ALA   8           HB2      ALA   8  77.704  -3.665   4.604
   62   3HB   ALA   8           HB1      ALA   8  78.127  -5.255   3.970
   63    H    VAL   9           HN       VAL   9  78.535  -1.504   4.083
   64    HA   VAL   9           HA       VAL   9  77.369  -1.132   1.465
   65    HB   VAL   9           HB       VAL   9  77.980   0.770   3.751
   66   1HG1  VAL   9          HG13      VAL   9  77.233   1.434   1.175
   67   2HG1  VAL   9          HG12      VAL   9  75.683   1.327   2.008
   68   3HG1  VAL   9          HG11      VAL   9  76.932   2.420   2.605
   69   1HG2  VAL   9          HG22      VAL   9  75.968  -1.315   3.290
   70   2HG2  VAL   9          HG21      VAL   9  76.403  -0.488   4.787
   71   3HG2  VAL   9          HG23      VAL   9  75.256   0.253   3.672
   72    H    GLU  10           HN       GLU  10  80.432  -0.206   2.948
   73    HA   GLU  10           HA       GLU  10  81.176   1.698   0.873
   74   1HB   GLU  10           HB2      GLU  10  82.012   0.907   3.437
   75   2HB   GLU  10           HB1      GLU  10  83.361   0.504   2.374
   76   1HG   GLU  10           HG2      GLU  10  82.301   3.073   1.623
   77   2HG   GLU  10           HG1      GLU  10  82.644   3.067   3.354
   78    H    GLN  11           HN       GLN  11  81.346  -1.761   1.236
   79    HA   GLN  11           HA       GLN  11  83.564  -2.304  -0.513
   80   1HB   GLN  11           HB2      GLN  11  81.502  -3.675   0.966
   81   2HB   GLN  11           HB1      GLN  11  81.614  -4.368  -0.653
   82   1HG   GLN  11           HG2      GLN  11  83.295  -5.587   0.316
   83   2HG   GLN  11           HG1      GLN  11  84.242  -4.154  -0.086
   84   1HE2  GLN  11          HE22      GLN  11  83.448  -5.022   3.813
   85   2HE2  GLN  11          HE21      GLN  11  82.782  -5.958   2.564
   86    H    LEU  12           HN       LEU  12  80.178  -1.562  -1.056
   87    HA   LEU  12           HA       LEU  12  79.697  -2.506  -3.638
   88   1HB   LEU  12           HB2      LEU  12  79.002   0.212  -2.473
   89   2HB   LEU  12           HB1      LEU  12  78.133  -0.610  -3.769
   90    HG   LEU  12           HG       LEU  12  78.355  -1.448  -0.870
   91   1HD1  LEU  12          HD11      LEU  12  76.234  -0.413  -2.689
   92   2HD1  LEU  12          HD13      LEU  12  75.758  -1.625  -1.499
   93   3HD1  LEU  12          HD12      LEU  12  76.490  -0.110  -0.970
   94   1HD2  LEU  12          HD21      LEU  12  77.508  -3.019  -3.311
   95   2HD2  LEU  12          HD23      LEU  12  78.658  -3.490  -2.059
   96   3HD2  LEU  12          HD22      LEU  12  76.933  -3.429  -1.695
   97    H    THR  13           HN       THR  13  79.922  -1.424  -5.750
   98    HA   THR  13           HA       THR  13  82.433   0.195  -5.906
   99    HB   THR  13           HB       THR  13  81.958  -0.620  -8.429
  100    HG1  THR  13           HG1      THR  13  81.023  -2.855  -7.082
  101   1HG2  THR  13          HG22      THR  13  83.799  -1.202  -6.607
  102   2HG2  THR  13          HG21      THR  13  82.923  -2.731  -6.542
  103   3HG2  THR  13          HG23      THR  13  83.626  -2.183  -8.063
  104    H    GLU  14           HN       GLU  14  82.445   2.095  -7.242
  105    HA   GLU  14           HA       GLU  14  80.250   3.835  -7.120
  106   1HB   GLU  14           HB2      GLU  14  81.499   5.038  -8.951
  107   2HB   GLU  14           HB1      GLU  14  82.522   4.544  -7.603
  108   1HG   GLU  14           HG2      GLU  14  82.724   2.331  -9.132
  109   2HG   GLU  14           HG1      GLU  14  82.458   3.531 -10.397
  110    H    GLU  15           HN       GLU  15  81.075   1.486  -9.657
  111    HA   GLU  15           HA       GLU  15  79.151   2.314 -11.606
  112   1HB   GLU  15           HB2      GLU  15  79.559   0.052 -12.500
  113   2HB   GLU  15           HB1      GLU  15  81.073   0.779 -11.959
  114   1HG   GLU  15           HG2      GLU  15  80.440  -0.401  -9.670
  115   2HG   GLU  15           HG1      GLU  15  79.497  -1.450 -10.730
  116    H    GLN  16           HN       GLN  16  78.895   0.270  -8.736
  117    HA   GLN  16           HA       GLN  16  76.234  -0.746  -9.371
  118   1HB   GLN  16           HB2      GLN  16  77.653  -2.069  -7.993
  119   2HB   GLN  16           HB1      GLN  16  78.062  -0.695  -6.966
  120   1HG   GLN  16           HG2      GLN  16  76.091  -0.812  -5.782
  121   2HG   GLN  16           HG1      GLN  16  75.183  -1.450  -7.154
  122   1HE2  GLN  16          HE22      GLN  16  75.488  -4.356  -4.947
  123   2HE2  GLN  16          HE21      GLN  16  74.584  -2.924  -5.061
  124    H    LYS  17           HN       LYS  17  77.510   1.695  -7.077
  125    HA   LYS  17           HA       LYS  17  74.919   2.509  -6.099
  126   1HB   LYS  17           HB2      LYS  17  77.759   3.400  -5.994
  127   2HB   LYS  17           HB1      LYS  17  76.541   4.614  -5.605
  128   1HG   LYS  17           HG2      LYS  17  75.999   3.611  -3.643
  129   2HG   LYS  17           HG1      LYS  17  76.055   1.996  -4.349
  130   1HD   LYS  17           HD2      LYS  17  77.881   1.913  -2.907
  131   2HD   LYS  17           HD1      LYS  17  78.656   2.437  -4.402
  132   1HE   LYS  17           HE2      LYS  17  77.712   4.794  -3.126
  133   2HE   LYS  17           HE1      LYS  17  78.540   3.829  -1.886
  134   1HZ   LYS  17           HZ3      LYS  17  79.709   4.053  -4.577
  135   2HZ   LYS  17           HZ2      LYS  17  79.929   5.324  -3.470
  136   3HZ   LYS  17           HZ1      LYS  17  80.481   3.762  -3.094
  137    H    ASN  18           HN       ASN  18  76.649   3.186  -9.012
  138    HA   ASN  18           HA       ASN  18  75.489   5.797  -9.561
  139   1HB   ASN  18           HB2      ASN  18  77.280   3.815 -10.768
  140   2HB   ASN  18           HB1      ASN  18  76.276   4.641 -11.961
  141   1HD2  ASN  18          HD22      ASN  18  79.395   6.597 -10.391
  142   2HD2  ASN  18          HD21      ASN  18  79.169   4.921 -10.240
  143    H    GLU  19           HN       GLU  19  74.572   2.449 -10.210
  144    HA   GLU  19           HA       GLU  19  72.487   3.124 -12.139
  145   1HB   GLU  19           HB2      GLU  19  73.393   0.700 -10.593
  146   2HB   GLU  19           HB1      GLU  19  71.908   0.646 -11.544
  147   1HG   GLU  19           HG2      GLU  19  74.417   1.709 -12.804
  148   2HG   GLU  19           HG1      GLU  19  74.195  -0.034 -12.659
  149    H    PHE  20           HN       PHE  20  72.557   2.223  -8.682
  150    HA   PHE  20           HA       PHE  20  69.719   2.232  -8.273
  151   1HB   PHE  20           HB2      PHE  20  72.050   2.792  -6.408
  152   2HB   PHE  20           HB1      PHE  20  70.414   2.396  -5.884
  153    HD1  PHE  20           HD1      PHE  20  70.375   0.524  -8.632
  154    HD2  PHE  20           HD2      PHE  20  72.625   0.713  -4.977
  155    HE1  PHE  20           HE1      PHE  20  70.897  -1.891  -8.828
  156    HE2  PHE  20           HE2      PHE  20  73.146  -1.702  -5.175
  157    HZ   PHE  20           HZ       PHE  20  72.283  -3.004  -7.099
  158    H    LYS  21           HN       LYS  21  72.143   4.805  -8.272
  159    HA   LYS  21           HA       LYS  21  70.754   6.867  -6.943
  160   1HB   LYS  21           HB2      LYS  21  73.017   7.178  -7.621
  161   2HB   LYS  21           HB1      LYS  21  72.648   6.780  -9.300
  162   1HG   LYS  21           HG2      LYS  21  72.107   8.917  -9.766
  163   2HG   LYS  21           HG1      LYS  21  71.022   9.002  -8.377
  164   1HD   LYS  21           HD2      LYS  21  72.804  10.646  -8.100
  165   2HD   LYS  21           HD1      LYS  21  73.003   9.366  -6.901
  166   1HE   LYS  21           HE2      LYS  21  75.060   8.884  -7.714
  167   2HE   LYS  21           HE1      LYS  21  74.390   8.645  -9.341
  168   1HZ   LYS  21           HZ3      LYS  21  74.202  11.210  -9.307
  169   2HZ   LYS  21           HZ2      LYS  21  75.386  11.121  -8.093
  170   3HZ   LYS  21           HZ1      LYS  21  75.705  10.500  -9.641
  171    H    ALA  22           HN       ALA  22  70.547   5.874 -10.371
  172    HA   ALA  22           HA       ALA  22  68.648   7.891 -11.154
  173   1HB   ALA  22           HB3      ALA  22  69.810   5.359 -12.182
  174   2HB   ALA  22           HB2      ALA  22  68.257   5.821 -12.880
  175   3HB   ALA  22           HB1      ALA  22  69.633   6.919 -12.986
  176    H    ALA  23           HN       ALA  23  68.268   4.513 -10.050
  177    HA   ALA  23           HA       ALA  23  65.388   4.476 -10.309
  178   1HB   ALA  23           HB2      ALA  23  67.419   2.858  -8.744
  179   2HB   ALA  23           HB1      ALA  23  65.706   2.445  -8.805
  180   3HB   ALA  23           HB3      ALA  23  66.669   2.432 -10.282
  181    H    PHE  24           HN       PHE  24  67.632   5.273  -7.677
  182    HA   PHE  24           HA       PHE  24  65.914   5.389  -5.475
  183   1HB   PHE  24           HB2      PHE  24  68.293   5.751  -5.306
  184   2HB   PHE  24           HB1      PHE  24  68.203   7.164  -6.358
  185    HD1  PHE  24           HD1      PHE  24  66.758   9.154  -5.570
  186    HD2  PHE  24           HD2      PHE  24  68.047   5.983  -2.972
  187    HE1  PHE  24           HE1      PHE  24  66.336  10.596  -3.598
  188    HE2  PHE  24           HE2      PHE  24  67.625   7.427  -1.001
  189    HZ   PHE  24           HZ       PHE  24  66.769   9.733  -1.313
  190    H    ASP  25           HN       ASP  25  66.460   7.900  -7.962
  191    HA   ASP  25           HA       ASP  25  64.673   9.846  -6.813
  192   1HB   ASP  25           HB2      ASP  25  66.372   9.467  -9.107
  193   2HB   ASP  25           HB1      ASP  25  64.823  10.120  -9.639
  194    H    ILE  26           HN       ILE  26  64.134   6.938  -8.620
  195    HA   ILE  26           HA       ILE  26  61.593   7.640  -9.807
  196    HB   ILE  26           HB       ILE  26  62.759   4.948  -9.034
  197   1HG1  ILE  26          HG12      ILE  26  64.363   6.263 -10.350
  198   2HG1  ILE  26          HG11      ILE  26  63.688   4.970 -11.342
  199   1HG2  ILE  26          HG22      ILE  26  60.311   5.739 -10.288
  200   2HG2  ILE  26          HG21      ILE  26  61.325   4.951 -11.497
  201   3HG2  ILE  26          HG23      ILE  26  60.915   4.107 -10.004
  202   1HD1  ILE  26          HD13      ILE  26  61.889   6.862 -11.915
  203   2HD1  ILE  26          HD12      ILE  26  63.242   7.917 -11.510
  204   3HD1  ILE  26          HD11      ILE  26  63.406   6.731 -12.805
  205    H    PHE  27           HN       PHE  27  62.574   6.287  -6.681
  206    HA   PHE  27           HA       PHE  27  59.869   5.546  -5.879
  207   1HB   PHE  27           HB2      PHE  27  62.282   6.068  -4.128
  208   2HB   PHE  27           HB1      PHE  27  60.960   4.937  -3.840
  209    HD1  PHE  27           HD2      PHE  27  60.592   3.299  -6.038
  210    HD2  PHE  27           HD1      PHE  27  64.286   5.066  -4.746
  211    HE1  PHE  27           HE2      PHE  27  61.856   1.519  -7.220
  212    HE2  PHE  27           HE1      PHE  27  65.551   3.288  -5.929
  213    HZ   PHE  27           HZ       PHE  27  64.335   1.516  -7.165
  214    H    VAL  28           HN       VAL  28  61.987   8.356  -5.449
  215    HA   VAL  28           HA       VAL  28  59.996   9.690  -3.704
  216    HB   VAL  28           HB       VAL  28  61.849  11.396  -3.620
  217   1HG1  VAL  28          HG12      VAL  28  61.630   9.016  -2.326
  218   2HG1  VAL  28          HG11      VAL  28  63.223   8.837  -3.059
  219   3HG1  VAL  28          HG13      VAL  28  62.895  10.197  -1.985
  220   1HG2  VAL  28          HG21      VAL  28  62.641  10.182  -5.980
  221   2HG2  VAL  28          HG23      VAL  28  63.618  11.303  -5.030
  222   3HG2  VAL  28          HG22      VAL  28  63.802   9.563  -4.806
  223    H    LEU  29           HN       LEU  29  59.918   9.174  -6.839
  224    HA   LEU  29           HA       LEU  29  60.052  11.600  -8.257
  225   1HB   LEU  29           HB2      LEU  29  59.312   9.022  -8.736
  226   2HB   LEU  29           HB1      LEU  29  57.741   9.821  -8.799
  227    HG   LEU  29           HG       LEU  29  59.419  11.530 -10.227
  228   1HD1  LEU  29          HD11      LEU  29  60.058   8.623 -10.799
  229   2HD1  LEU  29          HD13      LEU  29  60.393   9.931 -11.934
  230   3HD1  LEU  29          HD12      LEU  29  61.191   9.902 -10.362
  231   1HD2  LEU  29          HD22      LEU  29  57.314   9.501 -10.869
  232   2HD2  LEU  29          HD21      LEU  29  57.288  11.250 -11.096
  233   3HD2  LEU  29          HD23      LEU  29  58.200  10.230 -12.209
  234    H    GLY  30           HN       GLY  30  59.299  13.343  -6.884
  235   1HA   GLY  30           HA2      GLY  30  57.400  14.893  -6.816
  236   2HA   GLY  30           HA1      GLY  30  56.322  13.499  -6.733
  237    H    ALA  31           HN       ALA  31  59.196  13.385  -4.803
  238    HA   ALA  31           HA       ALA  31  57.610  13.268  -2.349
  239   1HB   ALA  31           HB3      ALA  31  60.383  12.816  -3.281
  240   2HB   ALA  31           HB2      ALA  31  60.240  13.329  -1.600
  241   3HB   ALA  31           HB1      ALA  31  59.413  11.872  -2.150
  242    H    GLU  32           HN       GLU  32  58.604  14.615  -0.406
  243    HA   GLU  32           HA       GLU  32  58.633  17.474  -1.278
  244   1HB   GLU  32           HB2      GLU  32  57.776  17.908   0.928
  245   2HB   GLU  32           HB1      GLU  32  56.910  16.493   0.328
  246   1HG   GLU  32           HG2      GLU  32  58.571  15.042   1.521
  247   2HG   GLU  32           HG1      GLU  32  59.279  16.498   2.220
  248    H    ASP  33           HN       ASP  33  60.552  15.007   0.289
  249    HA   ASP  33           HA       ASP  33  62.676  17.057   0.839
  250   1HB   ASP  33           HB2      ASP  33  63.343  15.429   2.664
  251   2HB   ASP  33           HB1      ASP  33  61.762  16.175   2.898
  252    H    GLY  34           HN       GLY  34  61.813  14.138  -0.784
  253   1HA   GLY  34           HA2      GLY  34  63.110  13.128  -2.526
  254   2HA   GLY  34           HA1      GLY  34  64.539  13.963  -1.912
  255    H    CYS  35           HN       CYS  35  62.251  11.950  -0.082
  256    HA   CYS  35           HA       CYS  35  64.531  10.087   0.504
  257   1HB   CYS  35           HB2      CYS  35  62.823  11.705   2.163
  258   2HB   CYS  35           HB1      CYS  35  62.538  10.005   2.533
  259    HG   CYS  35           HG       CYS  35  65.469  11.076   2.495
  260    H    ILE  36           HN       ILE  36  63.944   7.831   0.729
  261    HA   ILE  36           HA       ILE  36  61.430   7.127  -0.728
  262    HB   ILE  36           HB       ILE  36  63.534   5.104  -0.085
  263   1HG1  ILE  36          HG12      ILE  36  63.965   7.370  -2.065
  264   2HG1  ILE  36          HG11      ILE  36  64.937   7.042  -0.630
  265   1HG2  ILE  36          HG23      ILE  36  61.511   5.692  -2.157
  266   2HG2  ILE  36          HG22      ILE  36  63.021   5.020  -2.773
  267   3HG2  ILE  36          HG21      ILE  36  62.093   4.139  -1.559
  268   1HD1  ILE  36          HD13      ILE  36  64.700   4.673  -2.295
  269   2HD1  ILE  36          HD12      ILE  36  65.374   6.025  -3.205
  270   3HD1  ILE  36          HD11      ILE  36  66.153   5.488  -1.717
  271    H    SER  37           HN       SER  37  60.058   7.375   1.179
  272    HA   SER  37           HA       SER  37  60.417   6.267   3.728
  273   1HB   SER  37           HB2      SER  37  58.098   6.872   1.933
  274   2HB   SER  37           HB1      SER  37  57.785   6.020   3.443
  275    HG   SER  37           HG       SER  37  57.759   8.053   4.112
  276    H    THR  38           HN       THR  38  59.388   4.279   4.647
  277    HA   THR  38           HA       THR  38  60.224   1.880   3.353
  278    HB   THR  38           HB       THR  38  58.975   0.823   5.199
  279    HG1  THR  38           HG1      THR  38  57.161   1.790   5.614
  280   1HG2  THR  38          HG21      THR  38  61.012   2.719   5.447
  281   2HG2  THR  38          HG23      THR  38  59.853   3.156   6.701
  282   3HG2  THR  38          HG22      THR  38  60.536   1.531   6.660
  283    H    LYS  39           HN       LYS  39  57.105   3.561   3.414
  284    HA   LYS  39           HA       LYS  39  55.500   1.505   2.237
  285   1HB   LYS  39           HB2      LYS  39  55.256   4.128   3.191
  286   2HB   LYS  39           HB1      LYS  39  54.785   4.232   1.494
  287   1HG   LYS  39           HG2      LYS  39  53.205   2.353   1.829
  288   2HG   LYS  39           HG1      LYS  39  53.653   2.295   3.535
  289   1HD   LYS  39           HD2      LYS  39  52.885   4.628   3.813
  290   2HD   LYS  39           HD1      LYS  39  52.417   4.671   2.113
  291   1HE   LYS  39           HE2      LYS  39  50.995   2.549   2.702
  292   2HE   LYS  39           HE1      LYS  39  51.161   3.126   4.373
  293   1HZ   LYS  39           HZ3      LYS  39  50.532   5.106   2.321
  294   2HZ   LYS  39           HZ2      LYS  39  49.284   4.045   2.769
  295   3HZ   LYS  39           HZ1      LYS  39  50.027   5.029   3.938
  296    H    GLU  40           HN       GLU  40  57.803   3.765   0.869
  297    HA   GLU  40           HA       GLU  40  56.926   3.023  -1.894
  298   1HB   GLU  40           HB2      GLU  40  58.190   5.355  -0.555
  299   2HB   GLU  40           HB1      GLU  40  58.750   5.009  -2.192
  300   1HG   GLU  40           HG2      GLU  40  56.930   6.279  -2.762
  301   2HG   GLU  40           HG1      GLU  40  56.090   4.740  -2.570
  302    H    LEU  41           HN       LEU  41  58.880   1.675   0.257
  303    HA   LEU  41           HA       LEU  41  61.380   1.556  -1.307
  304   1HB   LEU  41           HB2      LEU  41  60.656   1.320   1.359
  305   2HB   LEU  41           HB1      LEU  41  60.975  -0.351   0.893
  306    HG   LEU  41           HG       LEU  41  62.849   2.017   0.748
  307   1HD1  LEU  41          HD11      LEU  41  62.466   0.154   2.698
  308   2HD1  LEU  41          HD13      LEU  41  63.689  -0.654   1.716
  309   3HD1  LEU  41          HD12      LEU  41  64.014   0.943   2.391
  310   1HD2  LEU  41          HD21      LEU  41  62.712  -0.385  -0.968
  311   2HD2  LEU  41          HD23      LEU  41  63.551   1.143  -1.237
  312   3HD2  LEU  41          HD22      LEU  41  64.289  -0.103  -0.231
  313    H    GLY  42           HN       GLY  42  58.801  -0.722  -0.305
  314   1HA   GLY  42           HA2      GLY  42  59.658  -3.081  -1.462
  315   2HA   GLY  42           HA1      GLY  42  57.961  -2.595  -1.474
  316    H    LYS  43           HN       LYS  43  58.023  -0.398  -3.168
  317    HA   LYS  43           HA       LYS  43  57.874  -1.515  -5.750
  318   1HB   LYS  43           HB2      LYS  43  58.043   1.174  -4.504
  319   2HB   LYS  43           HB1      LYS  43  58.411   1.108  -6.228
  320   1HG   LYS  43           HG2      LYS  43  56.118   1.340  -6.351
  321   2HG   LYS  43           HG1      LYS  43  56.221  -0.419  -6.257
  322   1HD   LYS  43           HD2      LYS  43  55.626  -0.462  -3.985
  323   2HD   LYS  43           HD1      LYS  43  56.059   1.231  -3.745
  324   1HE   LYS  43           HE2      LYS  43  53.978   0.907  -5.782
  325   2HE   LYS  43           HE1      LYS  43  53.482   0.297  -4.190
  326   1HZ   LYS  43           HZ1      LYS  43  54.828   2.910  -4.612
  327   2HZ   LYS  43           HZ3      LYS  43  53.146   2.734  -4.484
  328   3HZ   LYS  43           HZ2      LYS  43  54.142   2.328  -3.169
  329    H    VAL  44           HN       VAL  44  60.665  -0.348  -3.981
  330    HA   VAL  44           HA       VAL  44  62.430  -0.057  -6.270
  331    HB   VAL  44           HB       VAL  44  63.028  -0.554  -3.336
  332   1HG1  VAL  44          HG13      VAL  44  64.619   0.244  -5.714
  333   2HG1  VAL  44          HG12      VAL  44  64.939   1.141  -4.231
  334   3HG1  VAL  44          HG11      VAL  44  65.124  -0.613  -4.257
  335   1HG2  VAL  44          HG21      VAL  44  61.500   1.497  -4.380
  336   2HG2  VAL  44          HG23      VAL  44  62.405   1.579  -2.869
  337   3HG2  VAL  44          HG22      VAL  44  63.117   2.200  -4.358
  338    H    MET  45           HN       MET  45  62.150  -2.555  -3.714
  339    HA   MET  45           HA       MET  45  64.061  -4.369  -4.762
  340   1HB   MET  45           HB2      MET  45  61.562  -4.612  -3.084
  341   2HB   MET  45           HB1      MET  45  62.553  -6.022  -3.456
  342   1HG   MET  45           HG2      MET  45  63.921  -3.572  -2.426
  343   2HG   MET  45           HG1      MET  45  63.020  -4.567  -1.282
  344   1HE   MET  45           HE3      MET  45  65.998  -3.662  -2.624
  345   2HE   MET  45           HE2      MET  45  67.132  -5.011  -2.657
  346   3HE   MET  45           HE1      MET  45  66.059  -4.737  -4.028
  347    H    ARG  46           HN       ARG  46  60.746  -3.711  -5.726
  348    HA   ARG  46           HA       ARG  46  60.299  -6.143  -7.218
  349   1HB   ARG  46           HB2      ARG  46  59.092  -3.453  -6.865
  350   2HB   ARG  46           HB1      ARG  46  58.683  -4.285  -8.365
  351   1HG   ARG  46           HG2      ARG  46  58.148  -6.328  -6.923
  352   2HG   ARG  46           HG1      ARG  46  58.244  -5.247  -5.532
  353   1HD   ARG  46           HD2      ARG  46  56.589  -3.760  -6.995
  354   2HD   ARG  46           HD1      ARG  46  56.202  -5.332  -7.722
  355    HE   ARG  46           HE       ARG  46  56.322  -5.506  -4.832
  356   1HH1  ARG  46          HH21      ARG  46  54.373  -5.767  -7.546
  357   2HH1  ARG  46          HH22      ARG  46  52.880  -5.452  -6.724
  358   1HH2  ARG  46          HH11      ARG  46  54.406  -4.558  -3.741
  359   2HH2  ARG  46          HH12      ARG  46  52.899  -4.766  -4.570
  360    H    MET  47           HN       MET  47  61.321  -2.853  -8.238
  361    HA   MET  47           HA       MET  47  61.821  -3.789 -10.984
  362   1HB   MET  47           HB2      MET  47  62.600  -1.383 -11.208
  363   2HB   MET  47           HB1      MET  47  60.942  -1.572 -10.643
  364   1HG   MET  47           HG2      MET  47  61.415  -0.543  -8.693
  365   2HG   MET  47           HG1      MET  47  62.803  -1.590  -8.415
  366   1HE   MET  47           HE2      MET  47  61.313   1.503  -9.245
  367   2HE   MET  47           HE1      MET  47  62.560   2.651  -9.730
  368   3HE   MET  47           HE3      MET  47  61.839   1.563 -10.926
  369    H    LEU  48           HN       LEU  48  63.688  -3.174  -8.059
  370    HA   LEU  48           HA       LEU  48  66.299  -3.030  -9.243
  371   1HB   LEU  48           HB2      LEU  48  65.053  -3.573  -6.582
  372   2HB   LEU  48           HB1      LEU  48  66.758  -3.976  -6.777
  373    HG   LEU  48           HG       LEU  48  66.142  -1.588  -5.953
  374   1HD1  LEU  48          HD13      LEU  48  68.136  -2.479  -7.953
  375   2HD1  LEU  48          HD12      LEU  48  67.929  -0.733  -7.811
  376   3HD1  LEU  48          HD11      LEU  48  68.376  -1.685  -6.395
  377   1HD2  LEU  48          HD23      LEU  48  65.567  -1.366  -8.924
  378   2HD2  LEU  48          HD22      LEU  48  64.436  -1.059  -7.608
  379   3HD2  LEU  48          HD21      LEU  48  65.812   0.013  -7.854
  380    H    GLY  49           HN       GLY  49  64.192  -5.744  -8.460
  381   1HA   GLY  49           HA2      GLY  49  64.769  -7.778  -9.908
  382   2HA   GLY  49           HA1      GLY  49  66.395  -7.608  -9.252
  383    H    GLN  50           HN       GLN  50  63.902  -6.861  -7.019
  384    HA   GLN  50           HA       GLN  50  64.168  -9.590  -5.793
  385   1HB   GLN  50           HB2      GLN  50  64.131  -6.819  -4.554
  386   2HB   GLN  50           HB1      GLN  50  64.072  -8.313  -3.618
  387   1HG   GLN  50           HG2      GLN  50  66.208  -8.685  -5.384
  388   2HG   GLN  50           HG1      GLN  50  66.361  -7.010  -4.854
  389   1HE2  GLN  50          HE22      GLN  50  68.033  -8.357  -2.024
  390   2HE2  GLN  50          HE21      GLN  50  68.204  -7.468  -3.461
  391    H    ASN  51           HN       ASN  51  62.308  -9.961  -4.158
  392    HA   ASN  51           HA       ASN  51  59.798  -8.537  -4.906
  393   1HB   ASN  51           HB2      ASN  51  58.721 -10.695  -5.397
  394   2HB   ASN  51           HB1      ASN  51  60.133 -10.474  -6.430
  395   1HD2  ASN  51          HD22      ASN  51  62.019 -13.075  -4.856
  396   2HD2  ASN  51          HD21      ASN  51  62.145 -11.662  -5.787
  397    HA   PRO  52           HA       PRO  52  60.205  -9.871  -0.437
  398   1HB   PRO  52           HB2      PRO  52  60.513  -7.394   0.679
  399   2HB   PRO  52           HB1      PRO  52  61.880  -8.383   0.131
  400   1HG   PRO  52           HG2      PRO  52  60.613  -6.033  -1.153
  401   2HG   PRO  52           HG1      PRO  52  62.300  -6.562  -1.172
  402   1HD   PRO  52           HD2      PRO  52  60.488  -6.924  -3.238
  403   2HD   PRO  52           HD1      PRO  52  61.997  -7.835  -3.023
  404    H    THR  53           HN       THR  53  58.848  -8.540   1.457
  405    HA   THR  53           HA       THR  53  56.194  -7.900   0.206
  406    HB   THR  53           HB       THR  53  55.506  -8.728   2.639
  407    HG1  THR  53           HG1      THR  53  57.692 -10.400   2.314
  408   1HG2  THR  53          HG21      THR  53  55.527  -9.841   0.113
  409   2HG2  THR  53          HG23      THR  53  56.382 -11.048   1.073
  410   3HG2  THR  53          HG22      THR  53  54.753 -10.551   1.529
  411    HA   PRO  54           HA       PRO  54  56.207  -4.076   2.356
  412   1HB   PRO  54           HB2      PRO  54  53.599  -3.828   3.140
  413   2HB   PRO  54           HB1      PRO  54  54.116  -3.673   1.449
  414   1HG   PRO  54           HG2      PRO  54  52.830  -5.966   2.832
  415   2HG   PRO  54           HG1      PRO  54  52.612  -5.376   1.178
  416   1HD   PRO  54           HD2      PRO  54  54.133  -7.561   1.852
  417   2HD   PRO  54           HD1      PRO  54  54.366  -6.594   0.380
  418    H    GLU  55           HN       GLU  55  54.492  -6.661   4.121
  419    HA   GLU  55           HA       GLU  55  54.598  -5.480   6.721
  420   1HB   GLU  55           HB2      GLU  55  54.410  -8.281   5.611
  421   2HB   GLU  55           HB1      GLU  55  54.389  -7.986   7.351
  422   1HG   GLU  55           HG2      GLU  55  52.418  -6.631   7.188
  423   2HG   GLU  55           HG1      GLU  55  52.522  -6.580   5.429
  424    H    GLU  56           HN       GLU  56  57.036  -7.155   4.832
  425    HA   GLU  56           HA       GLU  56  58.774  -7.685   7.145
  426   1HB   GLU  56           HB2      GLU  56  58.491  -8.464   4.397
  427   2HB   GLU  56           HB1      GLU  56  60.135  -7.870   4.646
  428   1HG   GLU  56           HG2      GLU  56  58.887  -9.784   6.609
  429   2HG   GLU  56           HG1      GLU  56  59.645 -10.382   5.133
  430    H    LEU  57           HN       LEU  57  59.145  -5.705   4.177
  431    HA   LEU  57           HA       LEU  57  61.455  -4.309   4.674
  432   1HB   LEU  57           HB2      LEU  57  58.840  -3.746   3.399
  433   2HB   LEU  57           HB1      LEU  57  59.829  -2.325   3.739
  434    HG   LEU  57           HG       LEU  57  61.759  -3.519   2.620
  435   1HD1  LEU  57          HD13      LEU  57  60.516  -5.784   2.893
  436   2HD1  LEU  57          HD12      LEU  57  59.644  -5.310   1.435
  437   3HD1  LEU  57          HD11      LEU  57  61.396  -5.499   1.390
  438   1HD2  LEU  57          HD21      LEU  57  60.002  -1.862   1.556
  439   2HD2  LEU  57          HD23      LEU  57  61.140  -2.718   0.515
  440   3HD2  LEU  57          HD22      LEU  57  59.482  -3.297   0.673
  441    H    GLN  58           HN       GLN  58  58.304  -2.916   5.650
  442    HA   GLN  58           HA       GLN  58  59.093  -0.807   7.218
  443   1HB   GLN  58           HB2      GLN  58  56.778  -1.940   6.681
  444   2HB   GLN  58           HB1      GLN  58  57.008  -2.710   8.252
  445   1HG   GLN  58           HG2      GLN  58  56.908   0.259   7.660
  446   2HG   GLN  58           HG1      GLN  58  55.776  -0.677   8.637
  447   1HE2  GLN  58          HE22      GLN  58  59.308   0.562  10.264
  448   2HE2  GLN  58          HE21      GLN  58  58.995   0.787   8.611
  449    H    GLU  59           HN       GLU  59  58.801  -4.172   8.441
  450    HA   GLU  59           HA       GLU  59  59.676  -3.625  11.099
  451   1HB   GLU  59           HB2      GLU  59  59.423  -5.971   9.271
  452   2HB   GLU  59           HB1      GLU  59  60.354  -6.193  10.754
  453   1HG   GLU  59           HG2      GLU  59  57.496  -5.194  10.560
  454   2HG   GLU  59           HG1      GLU  59  58.018  -6.761  11.181
  455    H    MET  60           HN       MET  60  61.522  -4.479   8.170
  456    HA   MET  60           HA       MET  60  64.061  -4.682   9.597
  457   1HB   MET  60           HB2      MET  60  62.939  -5.276   7.047
  458   2HB   MET  60           HB1      MET  60  64.330  -4.226   6.774
  459   1HG   MET  60           HG2      MET  60  65.422  -6.258   6.869
  460   2HG   MET  60           HG1      MET  60  65.437  -5.850   8.585
  461   1HE   MET  60           HE1      MET  60  64.667  -7.274  10.329
  462   2HE   MET  60           HE3      MET  60  64.287  -8.968   9.991
  463   3HE   MET  60           HE2      MET  60  65.762  -8.250   9.351
  464    H    ILE  61           HN       ILE  61  62.671  -2.282   7.316
  465    HA   ILE  61           HA       ILE  61  64.758  -0.423   7.229
  466    HB   ILE  61           HB       ILE  61  61.746  -0.142   7.290
  467   1HG1  ILE  61          HG12      ILE  61  63.275   0.505   4.861
  468   2HG1  ILE  61          HG11      ILE  61  63.475  -1.167   5.392
  469   1HG2  ILE  61          HG23      ILE  61  63.836   1.933   7.333
  470   2HG2  ILE  61          HG22      ILE  61  62.688   2.102   6.004
  471   3HG2  ILE  61          HG21      ILE  61  62.109   2.067   7.670
  472   1HD1  ILE  61          HD12      ILE  61  60.722  -0.536   5.684
  473   2HD1  ILE  61          HD11      ILE  61  61.212   0.032   4.088
  474   3HD1  ILE  61          HD13      ILE  61  61.454  -1.656   4.537
  475    H    ASP  62           HN       ASP  62  62.218  -0.714   9.727
  476    HA   ASP  62           HA       ASP  62  62.909   1.579  11.264
  477   1HB   ASP  62           HB2      ASP  62  60.854   0.171  11.438
  478   2HB   ASP  62           HB1      ASP  62  61.825  -1.108  12.168
  479    H    GLU  63           HN       GLU  63  64.553  -1.462  10.903
  480    HA   GLU  63           HA       GLU  63  66.088  -1.106  13.420
  481   1HB   GLU  63           HB2      GLU  63  65.809  -3.217  11.283
  482   2HB   GLU  63           HB1      GLU  63  67.105  -3.305  12.475
  483   1HG   GLU  63           HG2      GLU  63  65.658  -3.705  14.226
  484   2HG   GLU  63           HG1      GLU  63  64.340  -2.801  13.481
  485    H    VAL  64           HN       VAL  64  66.492  -0.850   9.914
  486    HA   VAL  64           HA       VAL  64  69.401  -0.441  10.142
  487    HB   VAL  64           HB       VAL  64  67.943  -1.588   8.276
  488   1HG1  VAL  64          HG11      VAL  64  66.588   0.575   7.995
  489   2HG1  VAL  64          HG13      VAL  64  68.011   1.231   7.186
  490   3HG1  VAL  64          HG12      VAL  64  67.185  -0.175   6.515
  491   1HG2  VAL  64          HG23      VAL  64  70.502  -0.809   8.392
  492   2HG2  VAL  64          HG22      VAL  64  69.800  -1.469   6.915
  493   3HG2  VAL  64          HG21      VAL  64  69.962   0.275   7.110
  494    H    ASP  65           HN       ASP  65  66.520   1.500  10.120
  495    HA   ASP  65           HA       ASP  65  67.848   3.973   9.261
  496   1HB   ASP  65           HB2      ASP  65  65.322   3.088   9.177
  497   2HB   ASP  65           HB1      ASP  65  65.247   3.908  10.737
  498    H    GLU  66           HN       GLU  66  69.496   4.489  10.754
  499    HA   GLU  66           HA       GLU  66  68.712   4.673  13.638
  500   1HB   GLU  66           HB2      GLU  66  71.304   4.357  12.121
  501   2HB   GLU  66           HB1      GLU  66  71.292   4.826  13.821
  502   1HG   GLU  66           HG2      GLU  66  69.750   2.418  12.858
  503   2HG   GLU  66           HG1      GLU  66  71.459   2.299  13.278
  504    H    ASP  67           HN       ASP  67  68.922   6.612  10.938
  505    HA   ASP  67           HA       ASP  67  70.299   8.929  12.027
  506   1HB   ASP  67           HB2      ASP  67  69.242  10.011  10.026
  507   2HB   ASP  67           HB1      ASP  67  70.074   8.508   9.628
  508    H    GLY  68           HN       GLY  68  67.086   7.622  12.306
  509   1HA   GLY  68           HA2      GLY  68  65.425   8.321  13.863
  510   2HA   GLY  68           HA1      GLY  68  66.355   9.792  14.154
  511    H    SER  69           HN       SER  69  65.756   8.887  10.865
  512    HA   SER  69           HA       SER  69  64.060  11.299  10.532
  513   1HB   SER  69           HB2      SER  69  64.643  11.036   8.206
  514   2HB   SER  69           HB1      SER  69  66.102  10.717   9.138
  515    HG   SER  69           HG       SER  69  65.704   8.510   8.908
  516    H    GLY  70           HN       GLY  70  63.977   7.907   9.359
  517   1HA   GLY  70           HA2      GLY  70  61.889   6.596   9.890
  518   2HA   GLY  70           HA1      GLY  70  60.991   8.064   9.504
  519    H    THR  71           HN       THR  71  63.235   8.381   7.311
  520    HA   THR  71           HA       THR  71  61.785   6.713   5.287
  521    HB   THR  71           HB       THR  71  62.740   8.526   3.745
  522    HG1  THR  71           HG1      THR  71  63.095   9.927   6.165
  523   1HG2  THR  71          HG21      THR  71  60.800   9.142   5.978
  524   2HG2  THR  71          HG23      THR  71  61.099  10.267   4.654
  525   3HG2  THR  71          HG22      THR  71  60.434   8.668   4.319
  526    H    VAL  72           HN       VAL  72  63.275   6.179   3.341
  527    HA   VAL  72           HA       VAL  72  65.855   5.127   4.419
  528    HB   VAL  72           HB       VAL  72  64.544   4.372   1.808
  529   1HG1  VAL  72          HG12      VAL  72  66.335   3.015   3.826
  530   2HG1  VAL  72          HG11      VAL  72  65.540   2.141   2.516
  531   3HG1  VAL  72          HG13      VAL  72  66.699   3.419   2.148
  532   1HG2  VAL  72          HG21      VAL  72  62.816   4.299   3.636
  533   2HG2  VAL  72          HG23      VAL  72  63.193   2.712   2.967
  534   3HG2  VAL  72          HG22      VAL  72  63.866   3.194   4.523
  535    H    ASP  73           HN       ASP  73  67.500   6.564   3.981
  536    HA   ASP  73           HA       ASP  73  67.442   8.221   1.535
  537   1HB   ASP  73           HB2      ASP  73  69.279   7.957   3.932
  538   2HB   ASP  73           HB1      ASP  73  69.565   9.103   2.622
  539    H    PHE  74           HN       PHE  74  69.718   8.355   0.392
  540    HA   PHE  74           HA       PHE  74  70.264   5.870  -0.895
  541   1HB   PHE  74           HB2      PHE  74  70.723   8.328  -1.567
  542   2HB   PHE  74           HB1      PHE  74  72.203   8.172  -0.619
  543    HD1  PHE  74           HD2      PHE  74  70.383   7.002  -3.606
  544    HD2  PHE  74           HD1      PHE  74  74.018   6.710  -1.335
  545    HE1  PHE  74           HE2      PHE  74  71.479   5.849  -5.508
  546    HE2  PHE  74           HE1      PHE  74  75.113   5.557  -3.239
  547    HZ   PHE  74           HZ       PHE  74  73.844   5.127  -5.324
  548    H    ASP  75           HN       ASP  75  71.468   7.233   2.083
  549    HA   ASP  75           HA       ASP  75  73.851   5.527   2.221
  550   1HB   ASP  75           HB2      ASP  75  72.607   7.758   3.621
  551   2HB   ASP  75           HB1      ASP  75  73.224   6.553   4.753
  552    H    GLU  76           HN       GLU  76  70.671   5.649   3.859
  553    HA   GLU  76           HA       GLU  76  71.169   3.133   5.287
  554   1HB   GLU  76           HB2      GLU  76  68.727   4.901   4.919
  555   2HB   GLU  76           HB1      GLU  76  68.837   3.564   6.066
  556   1HG   GLU  76           HG2      GLU  76  70.525   4.654   7.338
  557   2HG   GLU  76           HG1      GLU  76  70.831   5.835   6.063
  558    H    PHE  77           HN       PHE  77  69.407   4.196   2.404
  559    HA   PHE  77           HA       PHE  77  67.755   1.978   1.894
  560   1HB   PHE  77           HB2      PHE  77  67.650   3.929   0.521
  561   2HB   PHE  77           HB1      PHE  77  69.369   3.839   0.137
  562    HD1  PHE  77           HD1      PHE  77  66.680   1.230   0.124
  563    HD2  PHE  77           HD2      PHE  77  69.583   3.424  -2.156
  564    HE1  PHE  77           HE1      PHE  77  66.169  -0.162  -1.864
  565    HE2  PHE  77           HE2      PHE  77  69.073   2.033  -4.145
  566    HZ   PHE  77           HZ       PHE  77  67.365   0.240  -3.999
  567    H    LEU  78           HN       LEU  78  71.152   2.423   0.820
  568    HA   LEU  78           HA       LEU  78  71.437  -0.161  -0.368
  569   1HB   LEU  78           HB2      LEU  78  73.277   1.940   0.767
  570   2HB   LEU  78           HB1      LEU  78  73.932   0.425   0.145
  571    HG   LEU  78           HG       LEU  78  72.021   2.108  -1.478
  572   1HD1  LEU  78          HD13      LEU  78  74.299   3.213  -0.668
  573   2HD1  LEU  78          HD12      LEU  78  74.977   2.199  -1.942
  574   3HD1  LEU  78          HD11      LEU  78  73.746   3.399  -2.332
  575   1HD2  LEU  78          HD23      LEU  78  73.792  -0.262  -1.899
  576   2HD2  LEU  78          HD22      LEU  78  72.189   0.070  -2.554
  577   3HD2  LEU  78          HD21      LEU  78  73.605   0.864  -3.243
  578    H    VAL  79           HN       VAL  79  72.117   1.013   2.936
  579    HA   VAL  79           HA       VAL  79  73.368  -1.260   4.026
  580    HB   VAL  79           HB       VAL  79  71.283   0.576   5.260
  581   1HG1  VAL  79          HG13      VAL  79  71.813  -1.438   6.613
  582   2HG1  VAL  79          HG12      VAL  79  73.526  -1.025   6.532
  583   3HG1  VAL  79          HG11      VAL  79  72.400   0.038   7.378
  584   1HG2  VAL  79          HG23      VAL  79  73.639   1.319   4.069
  585   2HG2  VAL  79          HG22      VAL  79  72.882   2.196   5.399
  586   3HG2  VAL  79          HG21      VAL  79  74.166   1.033   5.728
  587    H    MET  80           HN       MET  80  69.856  -0.576   3.789
  588    HA   MET  80           HA       MET  80  68.875  -2.928   5.012
  589   1HB   MET  80           HB2      MET  80  67.953  -0.727   3.444
  590   2HB   MET  80           HB1      MET  80  67.269  -2.197   2.749
  591   1HG   MET  80           HG2      MET  80  67.223  -1.926   5.721
  592   2HG   MET  80           HG1      MET  80  66.091  -0.942   4.794
  593   1HE   MET  80           HE1      MET  80  65.218  -1.768   2.737
  594   2HE   MET  80           HE3      MET  80  64.926  -3.449   2.265
  595   3HE   MET  80           HE2      MET  80  63.742  -2.586   3.245
  596    H    MET  81           HN       MET  81  69.993  -2.369   1.688
  597    HA   MET  81           HA       MET  81  69.201  -4.947   0.647
  598   1HB   MET  81           HB2      MET  81  70.734  -2.557  -0.132
  599   2HB   MET  81           HB1      MET  81  71.325  -4.045  -0.875
  600   1HG   MET  81           HG2      MET  81  68.746  -4.470  -1.305
  601   2HG   MET  81           HG1      MET  81  68.656  -2.714  -1.159
  602   1HE   MET  81           HE2      MET  81  67.735  -2.425  -3.050
  603   2HE   MET  81           HE1      MET  81  68.900  -1.344  -3.812
  604   3HE   MET  81           HE3      MET  81  68.282  -2.747  -4.694
  605    H    VAL  82           HN       VAL  82  72.469  -3.683   1.413
  606    HA   VAL  82           HA       VAL  82  73.932  -6.060   1.219
  607    HB   VAL  82           HB       VAL  82  74.929  -3.872   1.566
  608   1HG1  VAL  82          HG13      VAL  82  73.540  -3.980   4.259
  609   2HG1  VAL  82          HG12      VAL  82  74.722  -2.757   3.796
  610   3HG1  VAL  82          HG11      VAL  82  73.185  -2.867   2.939
  611   1HG2  VAL  82          HG23      VAL  82  75.432  -6.035   3.558
  612   2HG2  VAL  82          HG22      VAL  82  76.521  -5.338   2.359
  613   3HG2  VAL  82          HG21      VAL  82  76.189  -4.472   3.860
  614    H    ARG  83           HN       ARG  83  71.656  -5.085   3.695
  615    HA   ARG  83           HA       ARG  83  72.500  -6.867   5.789
  616   1HB   ARG  83           HB2      ARG  83  70.099  -5.265   5.026
  617   2HB   ARG  83           HB1      ARG  83  69.868  -6.523   6.240
  618   1HG   ARG  83           HG2      ARG  83  72.019  -5.498   7.331
  619   2HG   ARG  83           HG1      ARG  83  71.615  -4.080   6.361
  620   1HD   ARG  83           HD2      ARG  83  70.575  -3.879   8.583
  621   2HD   ARG  83           HD1      ARG  83  69.306  -4.118   7.365
  622    HE   ARG  83           HE       ARG  83  68.846  -6.188   8.392
  623   1HH1  ARG  83          HH21      ARG  83  71.222  -7.683   7.782
  624   2HH1  ARG  83          HH22      ARG  83  71.981  -7.939   9.318
  625   1HH2  ARG  83          HH11      ARG  83  70.188  -5.438  10.919
  626   2HH2  ARG  83          HH12      ARG  83  71.394  -6.670  11.094
  627    H    CYS  84           HN       CYS  84  69.724  -7.167   3.533
  628    HA   CYS  84           HA       CYS  84  69.558 -10.063   4.100
  629   1HB   CYS  84           HB2      CYS  84  67.721  -8.136   3.689
  630   2HB   CYS  84           HB1      CYS  84  67.902  -8.701   2.028
  631    HG   CYS  84           HG       CYS  84  67.473 -11.193   3.162
  632    H    MET  85           HN       MET  85  71.421  -8.212   2.074
  633    HA   MET  85           HA       MET  85  71.168  -9.808  -0.376
  634   1HB   MET  85           HB2      MET  85  72.731  -7.487   0.664
  635   2HB   MET  85           HB1      MET  85  73.418  -8.377  -0.696
  636   1HG   MET  85           HG2      MET  85  70.672  -8.064  -1.279
  637   2HG   MET  85           HG1      MET  85  71.228  -6.497  -0.690
  638   1HE   MET  85           HE2      MET  85  73.689  -5.917  -1.123
  639   2HE   MET  85           HE1      MET  85  74.311  -5.741  -2.761
  640   3HE   MET  85           HE3      MET  85  72.878  -4.836  -2.253
  641    H    LYS  86           HN       LYS  86  73.541 -10.529  -1.227
  642    HA   LYS  86           HA       LYS  86  74.514 -12.486   0.793
  643   1HB   LYS  86           HB2      LYS  86  73.825 -12.634  -1.873
  644   2HB   LYS  86           HB1      LYS  86  75.584 -12.530  -1.952
  645   1HG   LYS  86           HG2      LYS  86  75.220 -14.313   0.107
  646   2HG   LYS  86           HG1      LYS  86  73.879 -14.719  -0.965
  647   1HD   LYS  86           HD2      LYS  86  76.795 -14.527  -1.778
  648   2HD   LYS  86           HD1      LYS  86  75.887 -16.021  -1.555
  649   1HE   LYS  86           HE2      LYS  86  74.686 -15.745  -3.517
  650   2HE   LYS  86           HE1      LYS  86  74.755 -13.974  -3.427
  651   1HZ   LYS  86           HZ3      LYS  86  77.276 -15.448  -3.661
  652   2HZ   LYS  86           HZ2      LYS  86  76.315 -15.303  -5.055
  653   3HZ   LYS  86           HZ1      LYS  86  76.866 -13.911  -4.252
  654    H    ASP  87           HN       ASP  87  77.056 -12.938   0.228
  655    HA   ASP  87           HA       ASP  87  78.472 -10.302   0.118
  656   1HB   ASP  87           HB2      ASP  87  78.275 -12.325   2.285
  657   2HB   ASP  87           HB1      ASP  87  79.887 -11.670   1.993
  658    H    ASP  88           HN       ASP  88  81.047 -11.237   0.482
  659    HA   ASP  88           HA       ASP  88  82.797 -12.096  -0.876
  660   1HB   ASP  88           HB2      ASP  88  81.485 -13.990   0.553
  661   2HB   ASP  88           HB1      ASP  88  81.261 -14.635  -1.074
  662    H    SER  89           HN       SER  89  82.290 -10.811  -2.811
  663    HA   SER  89           HA       SER  89  81.552 -12.502  -5.106
  664   1HB   SER  89           HB2      SER  89  79.517 -11.301  -3.806
  665   2HB   SER  89           HB1      SER  89  79.988  -9.976  -4.867
  666    HG   SER  89           HG       SER  89  78.502 -12.009  -5.489
   
  No H/Q in entry =         666
  Start of MODEL   30
    1   1H    MET   1           HT1      MET   1  85.148   0.316  14.856
    2   2H    MET   1           HT3      MET   1  85.422   1.412  16.120
    3   3H    MET   1           HT2      MET   1  86.680   0.402  15.583
    4    HA   MET   1           HA       MET   1  85.969  -1.369  16.767
    5   1HB   MET   1           HB2      MET   1  85.923   0.966  18.073
    6   2HB   MET   1           HB1      MET   1  84.219   0.545  18.257
    7   1HG   MET   1           HG2      MET   1  85.346  -1.834  18.881
    8   2HG   MET   1           HG1      MET   1  86.623  -0.748  19.425
    9   1HE   MET   1           HE3      MET   1  83.809  -2.557  19.896
   10   2HE   MET   1           HE2      MET   1  84.297  -2.635  21.587
   11   3HE   MET   1           HE1      MET   1  82.759  -1.890  21.155
   12    H    ASP   2           HN       ASP   2  83.129   0.708  16.103
   13    HA   ASP   2           HA       ASP   2  81.504  -1.796  15.779
   14   1HB   ASP   2           HB2      ASP   2  81.137  -0.134  17.756
   15   2HB   ASP   2           HB1      ASP   2  80.419   0.916  16.534
   16    H    ASP   3           HN       ASP   3  81.260  -2.052  13.579
   17    HA   ASP   3           HA       ASP   3  79.739  -0.240  11.985
   18   1HB   ASP   3           HB2      ASP   3  81.735   0.534  10.553
   19   2HB   ASP   3           HB1      ASP   3  81.580   1.278  12.146
   20    H    ILE   4           HN       ILE   4  78.856  -1.741  10.613
   21    HA   ILE   4           HA       ILE   4  80.690  -3.603   9.171
   22    HB   ILE   4           HB       ILE   4  78.100  -4.464  10.482
   23   1HG1  ILE   4          HG12      ILE   4  80.940  -4.640  11.539
   24   2HG1  ILE   4          HG11      ILE   4  79.617  -3.714  12.248
   25   1HG2  ILE   4          HG21      ILE   4  79.275  -5.735   8.532
   26   2HG2  ILE   4          HG23      ILE   4  80.465  -6.180   9.755
   27   3HG2  ILE   4          HG22      ILE   4  78.777  -6.652   9.954
   28   1HD1  ILE   4          HD13      ILE   4  78.348  -5.931  12.414
   29   2HD1  ILE   4          HD12      ILE   4  79.884  -6.718  12.052
   30   3HD1  ILE   4          HD11      ILE   4  79.719  -5.736  13.508
   31    H    TYR   5           HN       TYR   5  77.141  -3.212   9.466
   32    HA   TYR   5           HA       TYR   5  76.521  -3.619   6.745
   33   1HB   TYR   5           HB2      TYR   5  75.253  -2.029   8.983
   34   2HB   TYR   5           HB1      TYR   5  74.472  -2.201   7.411
   35    HD1  TYR   5           HD2      TYR   5  74.333  -4.663   6.477
   36    HD2  TYR   5           HD1      TYR   5  74.879  -3.657  10.616
   37    HE1  TYR   5           HE2      TYR   5  73.502  -6.906   7.131
   38    HE2  TYR   5           HE1      TYR   5  74.049  -5.901  11.272
   39    HH   TYR   5           HH       TYR   5  72.636  -7.684  10.328
   40    H    LYS   6           HN       LYS   6  77.024  -0.498   8.439
   41    HA   LYS   6           HA       LYS   6  76.677   1.252   6.274
   42   1HB   LYS   6           HB2      LYS   6  77.658   2.802   7.713
   43   2HB   LYS   6           HB1      LYS   6  77.241   1.524   8.852
   44   1HG   LYS   6           HG2      LYS   6  79.518   0.633   8.736
   45   2HG   LYS   6           HG1      LYS   6  79.950   1.838   7.522
   46   1HD   LYS   6           HD2      LYS   6  79.120   3.555   9.325
   47   2HD   LYS   6           HD1      LYS   6  79.389   2.223  10.449
   48   1HE   LYS   6           HE2      LYS   6  81.520   3.118  10.490
   49   2HE   LYS   6           HE1      LYS   6  81.710   2.104   9.046
   50   1HZ   LYS   6           HZ1      LYS   6  80.424   4.657   8.587
   51   2HZ   LYS   6           HZ3      LYS   6  82.048   4.769   9.059
   52   3HZ   LYS   6           HZ2      LYS   6  81.626   3.869   7.682
   53    H    ALA   7           HN       ALA   7  79.599  -0.560   7.216
   54    HA   ALA   7           HA       ALA   7  81.285   0.536   5.134
   55   1HB   ALA   7           HB2      ALA   7  81.903  -0.595   7.348
   56   2HB   ALA   7           HB1      ALA   7  81.535  -2.126   6.556
   57   3HB   ALA   7           HB3      ALA   7  82.836  -1.106   5.941
   58    H    ALA   8           HN       ALA   8  79.460  -2.526   5.463
   59    HA   ALA   8           HA       ALA   8  80.174  -3.860   3.128
   60   1HB   ALA   8           HB1      ALA   8  78.420  -4.282   5.070
   61   2HB   ALA   8           HB3      ALA   8  77.281  -3.616   3.899
   62   3HB   ALA   8           HB2      ALA   8  78.208  -5.064   3.504
   63    H    VAL   9           HN       VAL   9  77.940  -1.112   3.459
   64    HA   VAL   9           HA       VAL   9  76.932  -1.092   0.780
   65    HB   VAL   9           HB       VAL   9  77.432   1.133   2.788
   66   1HG1  VAL   9          HG12      VAL   9  75.866   0.991   0.215
   67   2HG1  VAL   9          HG11      VAL   9  75.401   2.112   1.494
   68   3HG1  VAL   9          HG13      VAL   9  76.995   2.235   0.749
   69   1HG2  VAL   9          HG21      VAL   9  75.644  -1.104   2.776
   70   2HG2  VAL   9          HG23      VAL   9  75.739   0.208   3.950
   71   3HG2  VAL   9          HG22      VAL   9  74.691   0.362   2.539
   72    H    GLU  10           HN       GLU  10  79.605   0.790   2.252
   73    HA   GLU  10           HA       GLU  10  80.477   1.963  -0.235
   74   1HB   GLU  10           HB2      GLU  10  81.167   1.901   2.586
   75   2HB   GLU  10           HB1      GLU  10  82.620   1.852   1.588
   76   1HG   GLU  10           HG2      GLU  10  82.062   4.176   1.978
   77   2HG   GLU  10           HG1      GLU  10  81.711   3.806   0.289
   78    H    GLN  11           HN       GLN  11  80.724  -1.202   0.981
   79    HA   GLN  11           HA       GLN  11  83.331  -1.861  -0.191
   80   1HB   GLN  11           HB2      GLN  11  81.398  -2.971   1.612
   81   2HB   GLN  11           HB1      GLN  11  81.701  -4.151   0.336
   82   1HG   GLN  11           HG2      GLN  11  83.863  -4.491   0.982
   83   2HG   GLN  11           HG1      GLN  11  84.108  -2.797   1.408
   84   1HE2  GLN  11          HE22      GLN  11  83.059  -3.220   4.793
   85   2HE2  GLN  11          HE21      GLN  11  83.311  -2.083   3.558
   86    H    LEU  12           HN       LEU  12  80.242  -1.345  -1.451
   87    HA   LEU  12           HA       LEU  12  80.160  -3.440  -3.465
   88   1HB   LEU  12           HB2      LEU  12  78.828  -0.711  -3.358
   89   2HB   LEU  12           HB1      LEU  12  78.293  -2.098  -4.308
   90    HG   LEU  12           HG       LEU  12  78.550  -2.170  -1.294
   91   1HD1  LEU  12          HD13      LEU  12  76.334  -1.231  -3.075
   92   2HD1  LEU  12          HD12      LEU  12  75.912  -2.138  -1.621
   93   3HD1  LEU  12          HD11      LEU  12  76.824  -0.634  -1.490
   94   1HD2  LEU  12          HD23      LEU  12  78.542  -4.296  -2.761
   95   2HD2  LEU  12          HD22      LEU  12  77.363  -4.221  -1.451
   96   3HD2  LEU  12          HD21      LEU  12  76.859  -3.896  -3.109
   97    H    THR  13           HN       THR  13  80.464  -3.046  -5.800
   98    HA   THR  13           HA       THR  13  82.910  -1.751  -6.474
   99    HB   THR  13           HB       THR  13  81.731  -1.976  -8.845
  100    HG1  THR  13           HG1      THR  13  80.105  -3.692  -8.544
  101   1HG2  THR  13          HG22      THR  13  82.359  -4.325  -7.036
  102   2HG2  THR  13          HG21      THR  13  82.247  -4.403  -8.795
  103   3HG2  THR  13          HG23      THR  13  83.516  -3.443  -8.033
  104    H    GLU  14           HN       GLU  14  83.342   0.313  -7.284
  105    HA   GLU  14           HA       GLU  14  81.725   2.520  -6.602
  106   1HB   GLU  14           HB2      GLU  14  84.222   2.010  -7.708
  107   2HB   GLU  14           HB1      GLU  14  83.387   2.888  -8.989
  108   1HG   GLU  14           HG2      GLU  14  84.586   4.402  -7.401
  109   2HG   GLU  14           HG1      GLU  14  82.849   4.704  -7.456
  110    H    GLU  15           HN       GLU  15  81.817   0.647  -9.630
  111    HA   GLU  15           HA       GLU  15  80.085   2.414 -11.119
  112   1HB   GLU  15           HB2      GLU  15  80.089   0.599 -12.710
  113   2HB   GLU  15           HB1      GLU  15  81.691   0.644 -11.974
  114   1HG   GLU  15           HG2      GLU  15  81.213  -1.220 -10.571
  115   2HG   GLU  15           HG1      GLU  15  79.484  -1.124 -10.906
  116    H    GLN  16           HN       GLN  16  79.517  -0.241  -8.872
  117    HA   GLN  16           HA       GLN  16  76.785  -0.794  -9.529
  118   1HB   GLN  16           HB2      GLN  16  78.037  -2.305  -8.166
  119   2HB   GLN  16           HB1      GLN  16  78.485  -1.027  -7.036
  120   1HG   GLN  16           HG2      GLN  16  76.484  -1.113  -5.937
  121   2HG   GLN  16           HG1      GLN  16  75.573  -1.442  -7.412
  122   1HE2  GLN  16          HE22      GLN  16  75.508  -4.914  -6.846
  123   2HE2  GLN  16          HE21      GLN  16  74.903  -3.584  -7.710
  124    H    LYS  17           HN       LYS  17  77.964   1.027  -6.669
  125    HA   LYS  17           HA       LYS  17  75.517   2.208  -5.935
  126   1HB   LYS  17           HB2      LYS  17  78.426   2.806  -5.633
  127   2HB   LYS  17           HB1      LYS  17  77.298   4.093  -5.207
  128   1HG   LYS  17           HG2      LYS  17  76.431   2.936  -3.420
  129   2HG   LYS  17           HG1      LYS  17  76.675   1.365  -4.187
  130   1HD   LYS  17           HD2      LYS  17  78.206   1.693  -2.261
  131   2HD   LYS  17           HD1      LYS  17  79.089   1.514  -3.778
  132   1HE   LYS  17           HE2      LYS  17  78.480   4.295  -3.440
  133   2HE   LYS  17           HE1      LYS  17  79.224   3.694  -1.944
  134   1HZ   LYS  17           HZ2      LYS  17  80.944   2.628  -3.270
  135   2HZ   LYS  17           HZ1      LYS  17  80.250   3.236  -4.696
  136   3HZ   LYS  17           HZ3      LYS  17  80.921   4.302  -3.560
  137    H    ASN  18           HN       ASN  18  77.789   3.133  -8.474
  138    HA   ASN  18           HA       ASN  18  76.714   5.751  -9.013
  139   1HB   ASN  18           HB2      ASN  18  78.698   3.907 -10.002
  140   2HB   ASN  18           HB1      ASN  18  77.789   4.565 -11.364
  141   1HD2  ASN  18          HD22      ASN  18  80.521   6.882  -9.585
  142   2HD2  ASN  18          HD21      ASN  18  80.417   5.204  -9.351
  143    H    GLU  19           HN       GLU  19  75.913   2.495 -10.164
  144    HA   GLU  19           HA       GLU  19  73.980   3.468 -12.147
  145   1HB   GLU  19           HB2      GLU  19  75.447   1.131 -11.587
  146   2HB   GLU  19           HB1      GLU  19  73.756   0.680 -11.364
  147   1HG   GLU  19           HG2      GLU  19  73.438   2.014 -13.628
  148   2HG   GLU  19           HG1      GLU  19  75.149   1.642 -13.834
  149    H    PHE  20           HN       PHE  20  73.944   2.347  -8.810
  150    HA   PHE  20           HA       PHE  20  71.059   1.943  -8.673
  151   1HB   PHE  20           HB2      PHE  20  73.395   2.088  -6.782
  152   2HB   PHE  20           HB1      PHE  20  71.755   2.090  -6.134
  153    HD1  PHE  20           HD2      PHE  20  73.676   0.283  -8.812
  154    HD2  PHE  20           HD1      PHE  20  70.892   0.015  -5.551
  155    HE1  PHE  20           HE2      PHE  20  73.543  -2.173  -9.127
  156    HE2  PHE  20           HE1      PHE  20  70.761  -2.441  -5.866
  157    HZ   PHE  20           HZ       PHE  20  72.087  -3.535  -7.654
  158    H    LYS  21           HN       LYS  21  73.296   4.606  -8.029
  159    HA   LYS  21           HA       LYS  21  71.691   6.364  -6.539
  160   1HB   LYS  21           HB2      LYS  21  74.090   6.616  -7.273
  161   2HB   LYS  21           HB1      LYS  21  73.500   7.050  -8.877
  162   1HG   LYS  21           HG2      LYS  21  72.068   8.823  -7.596
  163   2HG   LYS  21           HG1      LYS  21  73.232   8.568  -6.295
  164   1HD   LYS  21           HD2      LYS  21  75.081   9.062  -7.878
  165   2HD   LYS  21           HD1      LYS  21  73.890   9.388  -9.139
  166   1HE   LYS  21           HE2      LYS  21  74.071  11.549  -8.374
  167   2HE   LYS  21           HE1      LYS  21  72.958  10.985  -7.112
  168   1HZ   LYS  21           HZ1      LYS  21  75.013  10.167  -5.924
  169   2HZ   LYS  21           HZ3      LYS  21  75.919  11.100  -7.013
  170   3HZ   LYS  21           HZ2      LYS  21  74.809  11.853  -5.970
  171    H    ALA  22           HN       ALA  22  71.941   6.259 -10.120
  172    HA   ALA  22           HA       ALA  22  69.966   8.121 -10.787
  173   1HB   ALA  22           HB1      ALA  22  71.586   6.469 -12.129
  174   2HB   ALA  22           HB3      ALA  22  70.105   5.522 -12.268
  175   3HB   ALA  22           HB2      ALA  22  70.160   7.168 -12.897
  176    H    ALA  23           HN       ALA  23  69.568   4.770  -9.715
  177    HA   ALA  23           HA       ALA  23  66.723   4.617 -10.248
  178   1HB   ALA  23           HB2      ALA  23  68.891   2.992  -9.309
  179   2HB   ALA  23           HB1      ALA  23  67.560   2.857  -8.158
  180   3HB   ALA  23           HB3      ALA  23  67.298   2.468  -9.858
  181    H    PHE  24           HN       PHE  24  68.696   5.409  -7.387
  182    HA   PHE  24           HA       PHE  24  66.715   5.510  -5.397
  183   1HB   PHE  24           HB2      PHE  24  69.025   5.819  -4.862
  184   2HB   PHE  24           HB1      PHE  24  69.174   7.179  -5.975
  185    HD1  PHE  24           HD2      PHE  24  67.883   9.316  -5.484
  186    HD2  PHE  24           HD1      PHE  24  68.325   6.147  -2.618
  187    HE1  PHE  24           HE2      PHE  24  67.265  10.878  -3.660
  188    HE2  PHE  24           HE1      PHE  24  67.707   7.710  -0.794
  189    HZ   PHE  24           HZ       PHE  24  67.176  10.076  -1.316
  190    H    ASP  25           HN       ASP  25  67.656   8.073  -7.708
  191    HA   ASP  25           HA       ASP  25  65.816  10.060  -6.788
  192   1HB   ASP  25           HB2      ASP  25  67.667   9.554  -8.967
  193   2HB   ASP  25           HB1      ASP  25  66.217  10.366  -9.560
  194    H    ILE  26           HN       ILE  26  65.258   7.101  -8.435
  195    HA   ILE  26           HA       ILE  26  62.799   8.011  -9.787
  196    HB   ILE  26           HB       ILE  26  64.135   5.316  -9.439
  197   1HG1  ILE  26          HG12      ILE  26  64.238   7.499 -11.521
  198   2HG1  ILE  26          HG11      ILE  26  65.580   6.669 -10.734
  199   1HG2  ILE  26          HG21      ILE  26  61.693   5.171  -9.884
  200   2HG2  ILE  26          HG23      ILE  26  61.911   6.183 -11.311
  201   3HG2  ILE  26          HG22      ILE  26  62.647   4.582 -11.245
  202   1HD1  ILE  26          HD11      ILE  26  64.472   4.541 -11.884
  203   2HD1  ILE  26          HD13      ILE  26  63.853   5.763 -12.994
  204   3HD1  ILE  26          HD12      ILE  26  65.593   5.576 -12.769
  205    H    PHE  27           HN       PHE  27  63.735   6.428  -6.791
  206    HA   PHE  27           HA       PHE  27  61.005   5.464  -6.238
  207   1HB   PHE  27           HB2      PHE  27  63.518   5.584  -4.541
  208   2HB   PHE  27           HB1      PHE  27  62.097   4.583  -4.230
  209    HD1  PHE  27           HD1      PHE  27  61.393   3.531  -6.843
  210    HD2  PHE  27           HD2      PHE  27  65.279   4.155  -5.124
  211    HE1  PHE  27           HE1      PHE  27  62.326   1.765  -8.313
  212    HE2  PHE  27           HE2      PHE  27  66.212   2.389  -6.593
  213    HZ   PHE  27           HZ       PHE  27  64.736   1.194  -8.187
  214    H    VAL  28           HN       VAL  28  63.078   8.192  -5.436
  215    HA   VAL  28           HA       VAL  28  61.372   9.154  -3.254
  216    HB   VAL  28           HB       VAL  28  62.982  11.075  -3.414
  217   1HG1  VAL  28          HG12      VAL  28  63.443   8.449  -2.606
  218   2HG1  VAL  28          HG11      VAL  28  64.858   8.846  -3.581
  219   3HG1  VAL  28          HG13      VAL  28  64.434   9.847  -2.192
  220   1HG2  VAL  28          HG21      VAL  28  63.187  10.363  -6.040
  221   2HG2  VAL  28          HG23      VAL  28  64.381  11.351  -5.197
  222   3HG2  VAL  28          HG22      VAL  28  64.643   9.616  -5.381
  223    H    LEU  29           HN       LEU  29  60.857   8.995  -6.493
  224    HA   LEU  29           HA       LEU  29  60.162  11.577  -7.391
  225   1HB   LEU  29           HB2      LEU  29  60.099   9.054  -8.361
  226   2HB   LEU  29           HB1      LEU  29  58.377   9.287  -8.056
  227    HG   LEU  29           HG       LEU  29  58.785  11.598  -9.259
  228   1HD1  LEU  29          HD12      LEU  29  61.052   9.858 -10.274
  229   2HD1  LEU  29          HD11      LEU  29  60.500  11.334 -11.066
  230   3HD1  LEU  29          HD13      LEU  29  61.203  11.412  -9.451
  231   1HD2  LEU  29          HD22      LEU  29  57.917   9.010 -10.074
  232   2HD2  LEU  29          HD21      LEU  29  57.468  10.567 -10.770
  233   3HD2  LEU  29          HD23      LEU  29  58.860   9.687 -11.403
  234    H    GLY  30           HN       GLY  30  58.391   9.359  -5.274
  235   1HA   GLY  30           HA2      GLY  30  56.190  11.369  -5.084
  236   2HA   GLY  30           HA1      GLY  30  56.027   9.664  -4.659
  237    H    ALA  31           HN       ALA  31  58.945  11.225  -3.683
  238    HA   ALA  31           HA       ALA  31  58.151  10.923  -0.847
  239   1HB   ALA  31           HB3      ALA  31  60.356  10.206  -2.043
  240   2HB   ALA  31           HB2      ALA  31  60.795  11.910  -1.913
  241   3HB   ALA  31           HB1      ALA  31  60.477  10.967  -0.456
  242    H    GLU  32           HN       GLU  32  58.581  12.722   0.678
  243    HA   GLU  32           HA       GLU  32  57.796  15.330  -0.499
  244   1HB   GLU  32           HB2      GLU  32  57.061  15.816   1.705
  245   2HB   GLU  32           HB1      GLU  32  56.730  14.096   1.513
  246   1HG   GLU  32           HG2      GLU  32  57.915  13.817   3.422
  247   2HG   GLU  32           HG1      GLU  32  59.342  14.117   2.429
  248    H    ASP  33           HN       ASP  33  60.556  13.724   0.857
  249    HA   ASP  33           HA       ASP  33  62.094  16.291   0.710
  250   1HB   ASP  33           HB2      ASP  33  63.310  15.475   2.740
  251   2HB   ASP  33           HB1      ASP  33  61.593  15.737   3.046
  252    H    GLY  34           HN       GLY  34  61.972  14.465  -1.413
  253   1HA   GLY  34           HA2      GLY  34  63.291  13.059  -2.756
  254   2HA   GLY  34           HA1      GLY  34  64.634  13.981  -2.078
  255    H    CYS  35           HN       CYS  35  62.437  11.913  -0.244
  256    HA   CYS  35           HA       CYS  35  64.779  10.142   0.381
  257   1HB   CYS  35           HB2      CYS  35  62.427  11.160   1.980
  258   2HB   CYS  35           HB1      CYS  35  63.363   9.767   2.515
  259    HG   CYS  35           HG       CYS  35  65.429  11.728   2.046
  260    H    ILE  36           HN       ILE  36  64.077   7.855   0.946
  261    HA   ILE  36           HA       ILE  36  61.782   7.042  -0.805
  262    HB   ILE  36           HB       ILE  36  63.736   4.989   0.011
  263   1HG1  ILE  36          HG12      ILE  36  64.629   7.397  -1.611
  264   2HG1  ILE  36          HG11      ILE  36  65.347   6.801  -0.114
  265   1HG2  ILE  36          HG22      ILE  36  61.895   5.033  -1.842
  266   2HG2  ILE  36          HG21      ILE  36  63.108   5.898  -2.788
  267   3HG2  ILE  36          HG23      ILE  36  63.444   4.270  -2.197
  268   1HD1  ILE  36          HD11      ILE  36  65.319   4.591  -1.852
  269   2HD1  ILE  36          HD13      ILE  36  65.851   5.953  -2.839
  270   3HD1  ILE  36          HD12      ILE  36  66.726   5.536  -1.365
  271    H    SER  37           HN       SER  37  60.560   7.629   1.330
  272    HA   SER  37           HA       SER  37  60.776   6.163   3.726
  273   1HB   SER  37           HB2      SER  37  58.022   6.616   2.878
  274   2HB   SER  37           HB1      SER  37  58.927   7.391   4.174
  275    HG   SER  37           HG       SER  37  58.383   8.257   1.653
  276    H    THR  38           HN       THR  38  59.252   4.385   4.458
  277    HA   THR  38           HA       THR  38  59.533   2.005   2.992
  278    HB   THR  38           HB       THR  38  58.902   2.324   5.409
  279    HG1  THR  38           HG1      THR  38  58.495   0.365   4.024
  280   1HG2  THR  38          HG23      THR  38  56.185   2.873   4.187
  281   2HG2  THR  38          HG22      THR  38  56.503   2.655   5.908
  282   3HG2  THR  38          HG21      THR  38  57.182   4.040   5.053
  283    H    LYS  39           HN       LYS  39  57.203   4.574   2.598
  284    HA   LYS  39           HA       LYS  39  55.112   3.172   1.255
  285   1HB   LYS  39           HB2      LYS  39  56.184   6.002   1.023
  286   2HB   LYS  39           HB1      LYS  39  54.639   5.476   0.356
  287   1HG   LYS  39           HG2      LYS  39  53.860   4.840   2.593
  288   2HG   LYS  39           HG1      LYS  39  55.420   5.298   3.282
  289   1HD   LYS  39           HD2      LYS  39  55.083   7.613   2.700
  290   2HD   LYS  39           HD1      LYS  39  53.643   7.222   1.759
  291   1HE   LYS  39           HE2      LYS  39  53.003   6.133   4.203
  292   2HE   LYS  39           HE1      LYS  39  53.925   7.576   4.673
  293   1HZ   LYS  39           HZ3      LYS  39  51.937   7.729   2.503
  294   2HZ   LYS  39           HZ2      LYS  39  51.426   7.824   4.120
  295   3HZ   LYS  39           HZ1      LYS  39  52.522   8.966   3.504
  296    H    GLU  40           HN       GLU  40  58.075   4.726   0.002
  297    HA   GLU  40           HA       GLU  40  57.462   3.674  -2.718
  298   1HB   GLU  40           HB2      GLU  40  59.294   5.744  -1.518
  299   2HB   GLU  40           HB1      GLU  40  59.564   5.159  -3.161
  300   1HG   GLU  40           HG2      GLU  40  57.723   6.222  -3.980
  301   2HG   GLU  40           HG1      GLU  40  56.765   5.884  -2.538
  302    H    LEU  41           HN       LEU  41  58.155   1.684  -0.839
  303    HA   LEU  41           HA       LEU  41  60.956   0.985  -1.659
  304   1HB   LEU  41           HB2      LEU  41  60.437   1.515   0.787
  305   2HB   LEU  41           HB1      LEU  41  59.451   0.052   0.799
  306    HG   LEU  41           HG       LEU  41  61.802  -0.316   1.608
  307   1HD1  LEU  41          HD13      LEU  41  60.238  -1.955   0.156
  308   2HD1  LEU  41          HD12      LEU  41  61.611  -1.839  -0.945
  309   3HD1  LEU  41          HD11      LEU  41  61.847  -2.428   0.700
  310   1HD2  LEU  41          HD23      LEU  41  62.466   1.302  -0.533
  311   2HD2  LEU  41          HD22      LEU  41  63.603   0.303   0.371
  312   3HD2  LEU  41          HD21      LEU  41  62.889  -0.305  -1.123
  313    H    GLY  42           HN       GLY  42  57.971  -0.622  -0.473
  314   1HA   GLY  42           HA2      GLY  42  58.426  -3.181  -1.472
  315   2HA   GLY  42           HA1      GLY  42  56.814  -2.470  -1.370
  316    H    LYS  43           HN       LYS  43  56.541  -0.678  -3.226
  317    HA   LYS  43           HA       LYS  43  56.399  -2.015  -5.713
  318   1HB   LYS  43           HB2      LYS  43  55.902   0.578  -4.565
  319   2HB   LYS  43           HB1      LYS  43  56.670   0.787  -6.138
  320   1HG   LYS  43           HG2      LYS  43  54.961  -0.362  -7.270
  321   2HG   LYS  43           HG1      LYS  43  54.397  -1.157  -5.800
  322   1HD   LYS  43           HD2      LYS  43  54.030   1.418  -5.077
  323   2HD   LYS  43           HD1      LYS  43  53.810   1.572  -6.821
  324   1HE   LYS  43           HE2      LYS  43  52.385  -0.753  -6.114
  325   2HE   LYS  43           HE1      LYS  43  51.989   0.446  -4.865
  326   1HZ   LYS  43           HZ3      LYS  43  51.976   1.998  -7.000
  327   2HZ   LYS  43           HZ2      LYS  43  51.515   0.541  -7.743
  328   3HZ   LYS  43           HZ1      LYS  43  50.587   1.180  -6.470
  329    H    VAL  44           HN       VAL  44  59.018  -0.152  -4.267
  330    HA   VAL  44           HA       VAL  44  60.591   0.105  -6.700
  331    HB   VAL  44           HB       VAL  44  61.130   0.357  -3.731
  332   1HG1  VAL  44          HG12      VAL  44  63.002   0.170  -5.946
  333   2HG1  VAL  44          HG11      VAL  44  63.113   1.741  -5.152
  334   3HG1  VAL  44          HG13      VAL  44  63.331   0.263  -4.215
  335   1HG2  VAL  44          HG21      VAL  44  60.397   2.188  -5.982
  336   2HG2  VAL  44          HG23      VAL  44  59.839   2.191  -4.309
  337   3HG2  VAL  44          HG22      VAL  44  61.440   2.818  -4.706
  338    H    MET  45           HN       MET  45  60.799  -2.021  -3.823
  339    HA   MET  45           HA       MET  45  63.038  -3.566  -4.695
  340   1HB   MET  45           HB2      MET  45  60.755  -3.835  -2.775
  341   2HB   MET  45           HB1      MET  45  61.730  -5.267  -3.108
  342   1HG   MET  45           HG2      MET  45  63.129  -2.688  -2.499
  343   2HG   MET  45           HG1      MET  45  62.418  -3.602  -1.168
  344   1HE   MET  45           HE1      MET  45  65.392  -2.841  -1.464
  345   2HE   MET  45           HE3      MET  45  64.866  -3.837  -0.100
  346   3HE   MET  45           HE2      MET  45  66.269  -4.313  -1.052
  347    H    ARG  46           HN       ARG  46  59.797  -3.466  -5.836
  348    HA   ARG  46           HA       ARG  46  59.698  -6.230  -6.815
  349   1HB   ARG  46           HB2      ARG  46  58.031  -3.724  -7.074
  350   2HB   ARG  46           HB1      ARG  46  57.637  -5.180  -7.990
  351   1HG   ARG  46           HG2      ARG  46  57.267  -6.452  -6.020
  352   2HG   ARG  46           HG1      ARG  46  58.062  -5.250  -5.001
  353   1HD   ARG  46           HD2      ARG  46  56.181  -3.953  -4.859
  354   2HD   ARG  46           HD1      ARG  46  55.743  -4.241  -6.555
  355    HE   ARG  46           HE       ARG  46  55.508  -6.586  -4.790
  356   1HH1  ARG  46          HH11      ARG  46  54.058  -5.611  -7.428
  357   2HH1  ARG  46          HH12      ARG  46  52.442  -5.478  -6.819
  358   1HH2  ARG  46          HH21      ARG  46  53.397  -5.671  -3.491
  359   2HH2  ARG  46          HH22      ARG  46  52.067  -5.514  -4.589
  360    H    MET  47           HN       MET  47  60.170  -2.992  -8.252
  361    HA   MET  47           HA       MET  47  60.548  -4.056 -10.948
  362   1HB   MET  47           HB2      MET  47  60.859  -1.732 -11.495
  363   2HB   MET  47           HB1      MET  47  59.614  -1.792 -10.246
  364   1HG   MET  47           HG2      MET  47  60.905  -0.268  -9.167
  365   2HG   MET  47           HG1      MET  47  61.910  -1.655  -8.741
  366   1HE   MET  47           HE2      MET  47  61.103   1.233 -10.517
  367   2HE   MET  47           HE1      MET  47  62.667   1.995 -10.789
  368   3HE   MET  47           HE3      MET  47  61.867   1.117 -12.100
  369    H    LEU  48           HN       LEU  48  62.599  -3.321  -8.204
  370    HA   LEU  48           HA       LEU  48  65.097  -3.112  -9.657
  371   1HB   LEU  48           HB2      LEU  48  64.249  -3.628  -6.803
  372   2HB   LEU  48           HB1      LEU  48  65.953  -3.605  -7.262
  373    HG   LEU  48           HG       LEU  48  63.969  -1.353  -7.704
  374   1HD1  LEU  48          HD11      LEU  48  65.941  -2.009  -5.584
  375   2HD1  LEU  48          HD13      LEU  48  65.946  -0.339  -6.150
  376   3HD1  LEU  48          HD12      LEU  48  64.468  -1.043  -5.492
  377   1HD2  LEU  48          HD21      LEU  48  66.781  -1.864  -8.598
  378   2HD2  LEU  48          HD23      LEU  48  65.467  -1.050  -9.447
  379   3HD2  LEU  48          HD22      LEU  48  66.334  -0.215  -8.159
  380    H    GLY  49           HN       GLY  49  63.270  -5.791  -8.230
  381   1HA   GLY  49           HA2      GLY  49  63.660  -7.976  -9.485
  382   2HA   GLY  49           HA1      GLY  49  65.378  -7.660  -9.240
  383    H    GLN  50           HN       GLN  50  63.219  -6.789  -6.667
  384    HA   GLN  50           HA       GLN  50  64.201  -9.161  -5.114
  385   1HB   GLN  50           HB2      GLN  50  63.653  -6.269  -4.438
  386   2HB   GLN  50           HB1      GLN  50  63.762  -7.496  -3.175
  387   1HG   GLN  50           HG2      GLN  50  65.946  -7.676  -5.118
  388   2HG   GLN  50           HG1      GLN  50  65.908  -6.127  -4.271
  389   1HE2  GLN  50          HE21      GLN  50  67.755  -6.612  -2.912
  390   2HE2  GLN  50          HE22      GLN  50  67.686  -7.791  -1.692
  391    H    ASN  51           HN       ASN  51  62.628  -9.576  -3.163
  392    HA   ASN  51           HA       ASN  51  59.781  -9.048  -3.846
  393   1HB   ASN  51           HB2      ASN  51  61.276 -11.523  -4.279
  394   2HB   ASN  51           HB1      ASN  51  59.857 -11.775  -3.263
  395   1HD2  ASN  51          HD22      ASN  51  58.746 -12.036  -6.819
  396   2HD2  ASN  51          HD21      ASN  51  59.827 -12.894  -5.831
  397    HA   PRO  52           HA       PRO  52  60.920  -9.297   0.694
  398   1HB   PRO  52           HB2      PRO  52  60.423  -6.681   1.322
  399   2HB   PRO  52           HB1      PRO  52  62.010  -7.261   0.780
  400   1HG   PRO  52           HG2      PRO  52  59.905  -5.812  -0.734
  401   2HG   PRO  52           HG1      PRO  52  61.667  -5.683  -0.842
  402   1HD   PRO  52           HD2      PRO  52  60.106  -7.063  -2.630
  403   2HD   PRO  52           HD1      PRO  52  61.826  -7.397  -2.335
  404    H    THR  53           HN       THR  53  59.354  -8.795   2.522
  405    HA   THR  53           HA       THR  53  56.558  -9.115   1.557
  406    HB   THR  53           HB       THR  53  56.206 -10.055   3.745
  407    HG1  THR  53           HG1      THR  53  57.857  -9.843   5.334
  408   1HG2  THR  53          HG23      THR  53  57.621 -11.378   2.128
  409   2HG2  THR  53          HG22      THR  53  59.044 -10.779   2.981
  410   3HG2  THR  53          HG21      THR  53  57.873 -11.792   3.825
  411    HA   PRO  54           HA       PRO  54  55.278  -5.124   2.869
  412   1HB   PRO  54           HB2      PRO  54  52.917  -5.611   4.174
  413   2HB   PRO  54           HB1      PRO  54  53.089  -5.721   2.411
  414   1HG   PRO  54           HG2      PRO  54  53.080  -7.894   4.449
  415   2HG   PRO  54           HG1      PRO  54  52.336  -7.851   2.843
  416   1HD   PRO  54           HD2      PRO  54  54.664  -9.144   3.355
  417   2HD   PRO  54           HD1      PRO  54  54.288  -8.421   1.777
  418    H    GLU  55           HN       GLU  55  55.581  -7.628   5.293
  419    HA   GLU  55           HA       GLU  55  55.441  -5.775   7.573
  420   1HB   GLU  55           HB2      GLU  55  56.031  -8.704   7.131
  421   2HB   GLU  55           HB1      GLU  55  56.221  -7.964   8.721
  422   1HG   GLU  55           HG2      GLU  55  53.788  -7.022   8.171
  423   2HG   GLU  55           HG1      GLU  55  53.731  -8.455   7.144
  424    H    GLU  56           HN       GLU  56  57.967  -7.583   5.817
  425    HA   GLU  56           HA       GLU  56  60.157  -6.772   7.501
  426   1HB   GLU  56           HB2      GLU  56  59.680  -8.054   4.867
  427   2HB   GLU  56           HB1      GLU  56  61.270  -7.321   5.083
  428   1HG   GLU  56           HG2      GLU  56  61.921  -9.031   6.391
  429   2HG   GLU  56           HG1      GLU  56  60.553  -8.760   7.472
  430    H    LEU  57           HN       LEU  57  58.554  -5.286   4.734
  431    HA   LEU  57           HA       LEU  57  60.358  -3.458   3.736
  432   1HB   LEU  57           HB2      LEU  57  57.578  -3.808   3.848
  433   2HB   LEU  57           HB1      LEU  57  57.843  -2.161   4.420
  434    HG   LEU  57           HG       LEU  57  59.398  -1.886   2.390
  435   1HD1  LEU  57          HD12      LEU  57  58.586  -4.636   2.092
  436   2HD1  LEU  57          HD11      LEU  57  58.042  -3.706   0.695
  437   3HD1  LEU  57          HD13      LEU  57  59.749  -3.720   1.134
  438   1HD2  LEU  57          HD21      LEU  57  56.454  -1.937   2.535
  439   2HD2  LEU  57          HD23      LEU  57  57.527  -0.668   1.944
  440   3HD2  LEU  57          HD22      LEU  57  57.091  -2.015   0.892
  441    H    GLN  58           HN       GLN  58  58.176  -2.489   6.411
  442    HA   GLN  58           HA       GLN  58  59.884  -0.286   7.199
  443   1HB   GLN  58           HB2      GLN  58  57.485  -0.236   7.534
  444   2HB   GLN  58           HB1      GLN  58  57.539  -1.725   8.477
  445   1HG   GLN  58           HG2      GLN  58  57.374   0.156  10.009
  446   2HG   GLN  58           HG1      GLN  58  58.985  -0.549  10.152
  447   1HE2  GLN  58          HE22      GLN  58  59.968   2.892   9.830
  448   2HE2  GLN  58          HE21      GLN  58  59.629   1.678  10.968
  449    H    GLU  59           HN       GLU  59  59.669  -3.662   8.106
  450    HA   GLU  59           HA       GLU  59  60.940  -3.540  10.670
  451   1HB   GLU  59           HB2      GLU  59  59.932  -5.445   8.824
  452   2HB   GLU  59           HB1      GLU  59  61.592  -5.924   9.182
  453   1HG   GLU  59           HG2      GLU  59  60.885  -6.763  11.145
  454   2HG   GLU  59           HG1      GLU  59  60.437  -5.131  11.645
  455    H    MET  60           HN       MET  60  62.272  -3.932   7.378
  456    HA   MET  60           HA       MET  60  65.028  -4.140   8.313
  457   1HB   MET  60           HB2      MET  60  63.861  -3.531   5.578
  458   2HB   MET  60           HB1      MET  60  65.490  -4.124   5.905
  459   1HG   MET  60           HG2      MET  60  64.581  -6.195   6.841
  460   2HG   MET  60           HG1      MET  60  62.936  -5.600   6.612
  461   1HE   MET  60           HE1      MET  60  65.398  -7.673   5.754
  462   2HE   MET  60           HE3      MET  60  65.159  -8.231   4.093
  463   3HE   MET  60           HE2      MET  60  66.249  -6.887   4.427
  464    H    ILE  61           HN       ILE  61  62.955  -1.554   7.027
  465    HA   ILE  61           HA       ILE  61  65.045   0.423   6.747
  466    HB   ILE  61           HB       ILE  61  62.031   0.484   7.030
  467   1HG1  ILE  61          HG12      ILE  61  63.812   1.100   4.655
  468   2HG1  ILE  61          HG11      ILE  61  63.134  -0.499   4.966
  469   1HG2  ILE  61          HG22      ILE  61  64.015   2.694   6.996
  470   2HG2  ILE  61          HG21      ILE  61  62.623   2.885   5.930
  471   3HG2  ILE  61          HG23      ILE  61  62.383   2.656   7.663
  472   1HD1  ILE  61          HD13      ILE  61  61.528   2.050   4.609
  473   2HD1  ILE  61          HD12      ILE  61  61.711   0.779   3.400
  474   3HD1  ILE  61          HD11      ILE  61  60.858   0.446   4.907
  475    H    ASP  62           HN       ASP  62  62.730  -0.349   9.349
  476    HA   ASP  62           HA       ASP  62  63.451   1.843  11.072
  477   1HB   ASP  62           HB2      ASP  62  61.457   0.060  10.957
  478   2HB   ASP  62           HB1      ASP  62  62.473  -0.776  12.131
  479    H    GLU  63           HN       GLU  63  64.719  -1.439  10.659
  480    HA   GLU  63           HA       GLU  63  66.399  -1.328  13.050
  481   1HB   GLU  63           HB2      GLU  63  65.708  -3.168  10.845
  482   2HB   GLU  63           HB1      GLU  63  67.350  -3.355  11.463
  483   1HG   GLU  63           HG2      GLU  63  65.162  -3.079  13.470
  484   2HG   GLU  63           HG1      GLU  63  65.268  -4.606  12.594
  485    H    VAL  64           HN       VAL  64  66.700  -0.320   9.729
  486    HA   VAL  64           HA       VAL  64  69.665  -0.105   9.978
  487    HB   VAL  64           HB       VAL  64  68.424  -1.170   8.007
  488   1HG1  VAL  64          HG13      VAL  64  67.058   1.296   8.100
  489   2HG1  VAL  64          HG12      VAL  64  68.048   1.352   6.642
  490   3HG1  VAL  64          HG11      VAL  64  66.897   0.037   6.876
  491   1HG2  VAL  64          HG23      VAL  64  70.347   1.137   7.610
  492   2HG2  VAL  64          HG22      VAL  64  70.746  -0.573   7.769
  493   3HG2  VAL  64          HG21      VAL  64  69.913   0.008   6.327
  494    H    ASP  65           HN       ASP  65  66.801   1.800  10.193
  495    HA   ASP  65           HA       ASP  65  67.757   4.337   9.271
  496   1HB   ASP  65           HB2      ASP  65  65.403   3.376  10.051
  497   2HB   ASP  65           HB1      ASP  65  65.891   4.058  11.603
  498    H    GLU  66           HN       GLU  66  69.873   4.768  10.075
  499    HA   GLU  66           HA       GLU  66  70.696   4.427  12.803
  500   1HB   GLU  66           HB2      GLU  66  72.492   6.065  12.026
  501   2HB   GLU  66           HB1      GLU  66  72.293   4.634  11.014
  502   1HG   GLU  66           HG2      GLU  66  71.260   5.818   9.300
  503   2HG   GLU  66           HG1      GLU  66  70.695   7.091  10.382
  504    H    ASP  67           HN       ASP  67  68.685   6.790  11.286
  505    HA   ASP  67           HA       ASP  67  69.016   8.649  13.613
  506   1HB   ASP  67           HB2      ASP  67  67.861  10.238  11.975
  507   2HB   ASP  67           HB1      ASP  67  69.470   9.694  11.497
  508    H    GLY  68           HN       GLY  68  66.912   6.350  12.188
  509   1HA   GLY  68           HA2      GLY  68  64.714   5.708  12.692
  510   2HA   GLY  68           HA1      GLY  68  64.962   6.511  14.242
  511    H    SER  69           HN       SER  69  64.993   7.951  10.986
  512    HA   SER  69           HA       SER  69  63.169  10.071  11.889
  513   1HB   SER  69           HB2      SER  69  63.533  10.640   9.344
  514   2HB   SER  69           HB1      SER  69  64.879  10.808  10.468
  515    HG   SER  69           HG       SER  69  64.324   8.730   8.631
  516    H    GLY  70           HN       GLY  70  63.048   7.255   9.725
  517   1HA   GLY  70           HA2      GLY  70  60.814   6.101   9.638
  518   2HA   GLY  70           HA1      GLY  70  60.100   7.706   9.469
  519    H    THR  71           HN       THR  71  62.603   8.325   7.715
  520    HA   THR  71           HA       THR  71  61.477   7.106   5.213
  521    HB   THR  71           HB       THR  71  62.437   9.247   4.202
  522    HG1  THR  71           HG1      THR  71  63.812   9.609   6.066
  523   1HG2  THR  71          HG22      THR  71  60.089   8.855   5.869
  524   2HG2  THR  71          HG21      THR  71  60.605  10.542   5.876
  525   3HG2  THR  71          HG23      THR  71  60.243   9.738   4.350
  526    H    VAL  72           HN       VAL  72  63.000   6.347   3.650
  527    HA   VAL  72           HA       VAL  72  65.665   5.675   4.756
  528    HB   VAL  72           HB       VAL  72  64.460   4.917   2.083
  529   1HG1  VAL  72          HG13      VAL  72  66.872   4.409   2.585
  530   2HG1  VAL  72          HG12      VAL  72  66.329   3.428   3.947
  531   3HG1  VAL  72          HG11      VAL  72  65.888   2.973   2.300
  532   1HG2  VAL  72          HG23      VAL  72  63.792   4.001   4.858
  533   2HG2  VAL  72          HG22      VAL  72  62.736   4.182   3.456
  534   3HG2  VAL  72          HG21      VAL  72  63.826   2.800   3.568
  535    H    ASP  73           HN       ASP  73  67.390   6.970   4.292
  536    HA   ASP  73           HA       ASP  73  67.208   8.939   2.086
  537   1HB   ASP  73           HB2      ASP  73  68.172   9.018   4.626
  538   2HB   ASP  73           HB1      ASP  73  69.654   8.635   3.747
  539    H    PHE  74           HN       PHE  74  69.237   9.160   0.683
  540    HA   PHE  74           HA       PHE  74  69.731   6.877  -0.875
  541   1HB   PHE  74           HB2      PHE  74  70.221   9.232  -1.475
  542   2HB   PHE  74           HB1      PHE  74  71.545   9.246  -0.310
  543    HD1  PHE  74           HD2      PHE  74  70.554   6.424  -2.526
  544    HD2  PHE  74           HD1      PHE  74  73.430   9.518  -1.746
  545    HE1  PHE  74           HE2      PHE  74  72.068   5.447  -4.229
  546    HE2  PHE  74           HE1      PHE  74  74.944   8.540  -3.450
  547    HZ   PHE  74           HZ       PHE  74  74.263   6.504  -4.691
  548    H    ASP  75           HN       ASP  75  71.650   8.132   1.868
  549    HA   ASP  75           HA       ASP  75  73.720   6.136   1.722
  550   1HB   ASP  75           HB2      ASP  75  72.657   8.008   3.846
  551   2HB   ASP  75           HB1      ASP  75  74.042   6.956   4.141
  552    H    GLU  76           HN       GLU  76  70.808   6.402   3.799
  553    HA   GLU  76           HA       GLU  76  71.235   3.855   5.113
  554   1HB   GLU  76           HB2      GLU  76  68.776   5.597   4.728
  555   2HB   GLU  76           HB1      GLU  76  68.913   4.288   5.903
  556   1HG   GLU  76           HG2      GLU  76  70.673   5.434   7.086
  557   2HG   GLU  76           HG1      GLU  76  70.798   6.659   5.824
  558    H    PHE  77           HN       PHE  77  69.383   4.908   2.274
  559    HA   PHE  77           HA       PHE  77  67.749   2.705   1.768
  560   1HB   PHE  77           HB2      PHE  77  67.767   4.729   0.426
  561   2HB   PHE  77           HB1      PHE  77  69.421   4.413  -0.100
  562    HD1  PHE  77           HD2      PHE  77  66.377   2.239   0.191
  563    HD2  PHE  77           HD1      PHE  77  69.440   3.838  -2.362
  564    HE1  PHE  77           HE2      PHE  77  65.525   0.867  -1.690
  565    HE2  PHE  77           HE1      PHE  77  68.587   2.466  -4.243
  566    HZ   PHE  77           HZ       PHE  77  66.630   0.981  -3.908
  567    H    LEU  78           HN       LEU  78  71.211   3.058   0.932
  568    HA   LEU  78           HA       LEU  78  71.448   0.500  -0.376
  569   1HB   LEU  78           HB2      LEU  78  73.278   2.576   0.800
  570   2HB   LEU  78           HB1      LEU  78  73.948   1.037   0.254
  571    HG   LEU  78           HG       LEU  78  72.069   2.481  -1.570
  572   1HD1  LEU  78          HD11      LEU  78  74.895   3.306  -0.914
  573   2HD1  LEU  78          HD13      LEU  78  74.208   3.603  -2.510
  574   3HD1  LEU  78          HD12      LEU  78  73.465   4.324  -1.082
  575   1HD2  LEU  78          HD22      LEU  78  74.492   0.687  -1.835
  576   2HD2  LEU  78          HD21      LEU  78  72.832   0.344  -2.321
  577   3HD2  LEU  78          HD23      LEU  78  73.787   1.526  -3.216
  578    H    VAL  79           HN       VAL  79  72.365   1.581   2.922
  579    HA   VAL  79           HA       VAL  79  73.440  -0.770   3.958
  580    HB   VAL  79           HB       VAL  79  71.491   1.160   5.265
  581   1HG1  VAL  79          HG12      VAL  79  72.041  -1.027   6.478
  582   2HG1  VAL  79          HG11      VAL  79  73.703  -0.442   6.568
  583   3HG1  VAL  79          HG13      VAL  79  72.408   0.459   7.356
  584   1HG2  VAL  79          HG22      VAL  79  74.160   1.482   4.210
  585   2HG2  VAL  79          HG21      VAL  79  73.127   2.687   4.982
  586   3HG2  VAL  79          HG23      VAL  79  74.190   1.679   5.963
  587    H    MET  80           HN       MET  80  70.079  -0.108   3.159
  588    HA   MET  80           HA       MET  80  69.002  -2.401   4.617
  589   1HB   MET  80           HB2      MET  80  68.071  -0.057   3.402
  590   2HB   MET  80           HB1      MET  80  67.410  -1.355   2.406
  591   1HG   MET  80           HG2      MET  80  67.217  -1.969   5.250
  592   2HG   MET  80           HG1      MET  80  66.379  -0.471   4.844
  593   1HE   MET  80           HE1      MET  80  65.556  -0.297   2.509
  594   2HE   MET  80           HE3      MET  80  65.408  -1.687   1.426
  595   3HE   MET  80           HE2      MET  80  63.993  -1.075   2.278
  596    H    MET  81           HN       MET  81  69.940  -1.703   1.255
  597    HA   MET  81           HA       MET  81  68.975  -4.179   0.132
  598   1HB   MET  81           HB2      MET  81  70.421  -1.788  -0.626
  599   2HB   MET  81           HB1      MET  81  71.186  -3.209  -1.338
  600   1HG   MET  81           HG2      MET  81  68.864  -3.937  -2.087
  601   2HG   MET  81           HG1      MET  81  68.304  -2.332  -1.616
  602   1HE   MET  81           HE2      MET  81  67.851  -0.794  -3.254
  603   2HE   MET  81           HE1      MET  81  69.318  -0.067  -2.605
  604   3HE   MET  81           HE3      MET  81  69.041  -0.099  -4.352
  605    H    VAL  82           HN       VAL  82  72.257  -3.121   1.104
  606    HA   VAL  82           HA       VAL  82  73.694  -5.469   0.565
  607    HB   VAL  82           HB       VAL  82  74.808  -3.473   1.247
  608   1HG1  VAL  82          HG11      VAL  82  72.607  -3.305   3.073
  609   2HG1  VAL  82          HG13      VAL  82  74.107  -3.182   3.993
  610   3HG1  VAL  82          HG12      VAL  82  73.791  -2.062   2.667
  611   1HG2  VAL  82          HG23      VAL  82  75.153  -5.901   2.735
  612   2HG2  VAL  82          HG22      VAL  82  76.365  -4.685   2.329
  613   3HG2  VAL  82          HG21      VAL  82  75.431  -4.538   3.818
  614    H    ARG  83           HN       ARG  83  71.332  -4.866   3.070
  615    HA   ARG  83           HA       ARG  83  72.122  -7.116   4.766
  616   1HB   ARG  83           HB2      ARG  83  69.958  -5.057   4.597
  617   2HB   ARG  83           HB1      ARG  83  69.643  -6.494   5.570
  618   1HG   ARG  83           HG2      ARG  83  71.700  -6.097   6.855
  619   2HG   ARG  83           HG1      ARG  83  72.055  -4.680   5.868
  620   1HD   ARG  83           HD2      ARG  83  70.453  -3.389   6.903
  621   2HD   ARG  83           HD1      ARG  83  69.368  -4.768   7.170
  622    HE   ARG  83           HE       ARG  83  71.927  -4.654   8.690
  623   1HH1  ARG  83          HH11      ARG  83  68.986  -6.104   8.706
  624   2HH1  ARG  83          HH12      ARG  83  68.538  -5.661  10.319
  625   1HH2  ARG  83          HH21      ARG  83  71.144  -3.409  10.710
  626   2HH2  ARG  83          HH22      ARG  83  69.759  -4.136  11.453
  627    H    CYS  84           HN       CYS  84  69.511  -6.482   2.405
  628    HA   CYS  84           HA       CYS  84  68.525  -9.254   2.620
  629   1HB   CYS  84           HB2      CYS  84  67.247  -6.994   2.263
  630   2HB   CYS  84           HB1      CYS  84  67.706  -7.202   0.573
  631    HG   CYS  84           HG       CYS  84  66.175  -9.187   0.370
  632    H    MET  85           HN       MET  85  71.280  -8.368   1.394
  633    HA   MET  85           HA       MET  85  70.969  -9.388  -1.377
  634   1HB   MET  85           HB2      MET  85  72.935  -7.858   0.242
  635   2HB   MET  85           HB1      MET  85  73.616  -8.886  -1.020
  636   1HG   MET  85           HG2      MET  85  71.574  -7.757  -2.395
  637   2HG   MET  85           HG1      MET  85  71.937  -6.452  -1.266
  638   1HE   MET  85           HE3      MET  85  72.558  -4.858  -2.355
  639   2HE   MET  85           HE2      MET  85  74.249  -4.691  -1.891
  640   3HE   MET  85           HE1      MET  85  73.803  -4.647  -3.594
  641    H    LYS  86           HN       LYS  86  73.253 -10.064   1.308
  642    HA   LYS  86           HA       LYS  86  74.284 -12.094   1.946
  643   1HB   LYS  86           HB2      LYS  86  71.449 -12.590   1.251
  644   2HB   LYS  86           HB1      LYS  86  72.463 -14.033   1.313
  645   1HG   LYS  86           HG2      LYS  86  72.387 -11.959   3.519
  646   2HG   LYS  86           HG1      LYS  86  71.387 -13.412   3.519
  647   1HD   LYS  86           HD2      LYS  86  73.131 -14.760   4.062
  648   2HD   LYS  86           HD1      LYS  86  74.236 -13.920   2.973
  649   1HE   LYS  86           HE2      LYS  86  74.368 -12.041   4.643
  650   2HE   LYS  86           HE1      LYS  86  73.411 -13.037   5.761
  651   1HZ   LYS  86           HZ3      LYS  86  75.816 -14.107   4.416
  652   2HZ   LYS  86           HZ2      LYS  86  75.940 -13.250   5.878
  653   3HZ   LYS  86           HZ1      LYS  86  75.037 -14.686   5.806
  654    H    ASP  87           HN       ASP  87  75.433 -11.329  -0.344
  655    HA   ASP  87           HA       ASP  87  76.393 -12.042  -2.391
  656   1HB   ASP  87           HB2      ASP  87  76.276 -14.297  -0.437
  657   2HB   ASP  87           HB1      ASP  87  76.797 -14.679  -2.078
  658    H    ASP  88           HN       ASP  88  74.890 -15.177  -2.025
  659    HA   ASP  88           HA       ASP  88  72.554 -14.630  -3.668
  660   1HB   ASP  88           HB2      ASP  88  73.567 -16.048  -5.598
  661   2HB   ASP  88           HB1      ASP  88  74.097 -14.373  -5.448
  662    H    SER  89           HN       SER  89  74.955 -17.106  -2.727
  663    HA   SER  89           HA       SER  89  72.713 -19.068  -2.426
  664   1HB   SER  89           HB2      SER  89  74.720 -20.677  -2.432
  665   2HB   SER  89           HB1      SER  89  74.391 -19.829  -3.940
  666    HG   SER  89           HG       SER  89  76.226 -18.984  -1.939
   
  No H/Q in entry =         666
  Start of MODEL   31
    1   1H    MET   1           HT2      MET   1  75.271  -2.435  17.183
    2   2H    MET   1           HT1      MET   1  75.711  -0.856  17.627
    3   3H    MET   1           HT3      MET   1  74.287  -1.541  18.241
    4    HA   MET   1           HA       MET   1  73.090  -0.999  16.436
    5   1HB   MET   1           HB2      MET   1  75.060   0.826  17.037
    6   2HB   MET   1           HB1      MET   1  75.292   0.603  15.302
    7   1HG   MET   1           HG2      MET   1  73.591   2.065  15.027
    8   2HG   MET   1           HG1      MET   1  72.530   0.764  15.565
    9   1HE   MET   1           HE2      MET   1  74.353   3.706  15.936
   10   2HE   MET   1           HE1      MET   1  73.225   4.677  16.878
   11   3HE   MET   1           HE3      MET   1  74.662   3.989  17.648
   12    H    ASP   2           HN       ASP   2  74.326  -0.114  13.840
   13    HA   ASP   2           HA       ASP   2  74.944  -2.843  12.753
   14   1HB   ASP   2           HB2      ASP   2  73.100  -0.684  12.055
   15   2HB   ASP   2           HB1      ASP   2  74.082  -1.185  10.677
   16    H    ASP   3           HN       ASP   3  77.166  -1.630  13.684
   17    HA   ASP   3           HA       ASP   3  78.405   0.221  11.815
   18   1HB   ASP   3           HB2      ASP   3  79.110   0.240  14.090
   19   2HB   ASP   3           HB1      ASP   3  79.315  -1.512  14.120
   20    H    ILE   4           HN       ILE   4  78.787  -3.281  12.465
   21    HA   ILE   4           HA       ILE   4  80.823  -3.949  10.688
   22    HB   ILE   4           HB       ILE   4  79.796  -6.148  10.678
   23   1HG1  ILE   4          HG12      ILE   4  77.252  -4.891  11.725
   24   2HG1  ILE   4          HG11      ILE   4  77.511  -5.181  10.005
   25   1HG2  ILE   4          HG22      ILE   4  80.521  -4.932  12.908
   26   2HG2  ILE   4          HG21      ILE   4  78.798  -5.015  13.270
   27   3HG2  ILE   4          HG23      ILE   4  79.709  -6.496  12.978
   28   1HD1  ILE   4          HD11      ILE   4  78.256  -7.586  11.172
   29   2HD1  ILE   4          HD13      ILE   4  76.864  -7.085  12.131
   30   3HD1  ILE   4          HD12      ILE   4  76.713  -7.262  10.383
   31    H    TYR   5           HN       TYR   5  77.528  -2.979   9.934
   32    HA   TYR   5           HA       TYR   5  77.635  -3.824   7.135
   33   1HB   TYR   5           HB2      TYR   5  75.815  -2.054   8.793
   34   2HB   TYR   5           HB1      TYR   5  75.502  -2.441   7.100
   35    HD1  TYR   5           HD1      TYR   5  75.130  -4.816   6.407
   36    HD2  TYR   5           HD2      TYR   5  75.438  -3.660  10.532
   37    HE1  TYR   5           HE1      TYR   5  74.113  -6.972   7.088
   38    HE2  TYR   5           HE2      TYR   5  74.422  -5.816  11.213
   39    HH   TYR   5           HH       TYR   5  74.246  -8.437   9.342
   40    H    LYS   6           HN       LYS   6  77.930  -0.728   8.893
   41    HA   LYS   6           HA       LYS   6  78.089   1.114   6.821
   42   1HB   LYS   6           HB2      LYS   6  79.307   0.750   9.510
   43   2HB   LYS   6           HB1      LYS   6  80.045   1.984   8.487
   44   1HG   LYS   6           HG2      LYS   6  77.108   1.795   9.219
   45   2HG   LYS   6           HG1      LYS   6  78.259   2.986   9.826
   46   1HD   LYS   6           HD2      LYS   6  77.832   4.292   8.047
   47   2HD   LYS   6           HD1      LYS   6  78.422   3.016   6.982
   48   1HE   LYS   6           HE2      LYS   6  76.082   3.646   6.419
   49   2HE   LYS   6           HE1      LYS   6  76.161   1.971   7.004
   50   1HZ   LYS   6           HZ2      LYS   6  75.824   4.177   8.924
   51   2HZ   LYS   6           HZ1      LYS   6  74.471   3.606   8.071
   52   3HZ   LYS   6           HZ3      LYS   6  75.351   2.551   9.065
   53    H    ALA   7           HN       ALA   7  80.583  -1.199   7.846
   54    HA   ALA   7           HA       ALA   7  82.653  -0.155   6.094
   55   1HB   ALA   7           HB3      ALA   7  82.163  -2.565   7.810
   56   2HB   ALA   7           HB2      ALA   7  83.500  -2.608   6.660
   57   3HB   ALA   7           HB1      ALA   7  83.455  -1.368   7.913
   58    H    ALA   8           HN       ALA   8  79.935  -2.287   5.679
   59    HA   ALA   8           HA       ALA   8  80.976  -3.664   3.315
   60   1HB   ALA   8           HB2      ALA   8  79.134  -4.274   5.125
   61   2HB   ALA   8           HB1      ALA   8  78.067  -3.415   4.013
   62   3HB   ALA   8           HB3      ALA   8  78.963  -4.831   3.461
   63    H    VAL   9           HN       VAL   9  78.597  -1.058   3.912
   64    HA   VAL   9           HA       VAL   9  77.720  -0.565   1.297
   65    HB   VAL   9           HB       VAL   9  78.393   1.358   3.547
   66   1HG1  VAL   9          HG13      VAL   9  77.878   2.126   1.014
   67   2HG1  VAL   9          HG12      VAL   9  76.224   1.914   1.589
   68   3HG1  VAL   9          HG11      VAL   9  77.307   3.034   2.414
   69   1HG2  VAL   9          HG22      VAL   9  76.797  -0.548   4.032
   70   2HG2  VAL   9          HG21      VAL   9  76.092   1.058   4.218
   71   3HG2  VAL   9          HG23      VAL   9  75.743   0.102   2.777
   72    H    GLU  10           HN       GLU  10  80.838   0.196   2.750
   73    HA   GLU  10           HA       GLU  10  81.664   1.992   0.581
   74   1HB   GLU  10           HB2      GLU  10  82.471   1.252   3.219
   75   2HB   GLU  10           HB1      GLU  10  83.836   0.956   2.142
   76   1HG   GLU  10           HG2      GLU  10  82.778   3.409   1.292
   77   2HG   GLU  10           HG1      GLU  10  82.740   3.487   3.054
   78    H    GLN  11           HN       GLN  11  81.612  -1.417   1.116
   79    HA   GLN  11           HA       GLN  11  83.899  -2.107  -0.551
   80   1HB   GLN  11           HB2      GLN  11  81.953  -3.349   1.159
   81   2HB   GLN  11           HB1      GLN  11  81.986  -4.214  -0.378
   82   1HG   GLN  11           HG2      GLN  11  83.888  -5.223   0.267
   83   2HG   GLN  11           HG1      GLN  11  84.682  -3.647   0.289
   84   1HE2  GLN  11          HE22      GLN  11  84.484  -3.297   3.834
   85   2HE2  GLN  11          HE21      GLN  11  84.706  -2.462   2.372
   86    H    LEU  12           HN       LEU  12  80.520  -1.387  -1.120
   87    HA   LEU  12           HA       LEU  12  80.039  -2.708  -3.570
   88   1HB   LEU  12           HB2      LEU  12  79.201   0.047  -2.602
   89   2HB   LEU  12           HB1      LEU  12  78.414  -0.847  -3.902
   90    HG   LEU  12           HG       LEU  12  78.760  -2.065  -1.165
   91   1HD1  LEU  12          HD13      LEU  12  77.552   0.178  -1.065
   92   2HD1  LEU  12          HD12      LEU  12  76.314  -0.542  -2.095
   93   3HD1  LEU  12          HD11      LEU  12  76.625  -1.208  -0.492
   94   1HD2  LEU  12          HD23      LEU  12  77.721  -2.912  -3.674
   95   2HD2  LEU  12          HD22      LEU  12  77.680  -3.785  -2.142
   96   3HD2  LEU  12          HD21      LEU  12  76.347  -2.721  -2.586
   97    H    THR  13           HN       THR  13  80.632  -2.270  -5.700
   98    HA   THR  13           HA       THR  13  82.929  -0.521  -6.154
   99    HB   THR  13           HB       THR  13  82.144  -1.350  -8.605
  100    HG1  THR  13           HG1      THR  13  81.290  -3.571  -7.985
  101   1HG2  THR  13          HG23      THR  13  83.474  -2.949  -6.407
  102   2HG2  THR  13          HG22      THR  13  83.428  -3.479  -8.088
  103   3HG2  THR  13          HG21      THR  13  84.254  -1.982  -7.659
  104    H    GLU  14           HN       GLU  14  82.869   1.163  -7.907
  105    HA   GLU  14           HA       GLU  14  80.818   3.108  -7.477
  106   1HB   GLU  14           HB2      GLU  14  83.247   2.717  -9.035
  107   2HB   GLU  14           HB1      GLU  14  82.040   3.624  -9.949
  108   1HG   GLU  14           HG2      GLU  14  81.742   5.082  -7.886
  109   2HG   GLU  14           HG1      GLU  14  83.175   4.294  -7.225
  110    H    GLU  15           HN       GLU  15  80.918   0.316  -9.508
  111    HA   GLU  15           HA       GLU  15  79.059   1.246 -11.544
  112   1HB   GLU  15           HB2      GLU  15  79.072  -1.139 -12.162
  113   2HB   GLU  15           HB1      GLU  15  80.713  -0.593 -11.816
  114   1HG   GLU  15           HG2      GLU  15  80.134  -1.388  -9.366
  115   2HG   GLU  15           HG1      GLU  15  78.932  -2.379 -10.195
  116    H    GLN  16           HN       GLN  16  78.772  -0.317  -8.394
  117    HA   GLN  16           HA       GLN  16  75.933  -0.975  -8.712
  118   1HB   GLN  16           HB2      GLN  16  77.475  -0.735  -6.126
  119   2HB   GLN  16           HB1      GLN  16  76.176  -1.858  -6.524
  120   1HG   GLN  16           HG2      GLN  16  78.223  -2.303  -8.429
  121   2HG   GLN  16           HG1      GLN  16  79.015  -2.200  -6.857
  122   1HE2  GLN  16          HE22      GLN  16  78.116  -5.681  -6.755
  123   2HE2  GLN  16          HE21      GLN  16  79.378  -4.618  -7.159
  124    H    LYS  17           HN       LYS  17  77.694   1.238  -6.518
  125    HA   LYS  17           HA       LYS  17  75.513   2.698  -5.522
  126   1HB   LYS  17           HB2      LYS  17  78.367   3.439  -6.211
  127   2HB   LYS  17           HB1      LYS  17  77.293   4.546  -5.355
  128   1HG   LYS  17           HG2      LYS  17  77.591   3.441  -3.416
  129   2HG   LYS  17           HG1      LYS  17  77.181   1.902  -4.173
  130   1HD   LYS  17           HD2      LYS  17  79.346   1.293  -4.269
  131   2HD   LYS  17           HD1      LYS  17  79.793   2.813  -5.045
  132   1HE   LYS  17           HE2      LYS  17  80.100   3.917  -2.953
  133   2HE   LYS  17           HE1      LYS  17  79.265   2.625  -2.067
  134   1HZ   LYS  17           HZ3      LYS  17  81.111   1.211  -3.332
  135   2HZ   LYS  17           HZ2      LYS  17  81.962   2.672  -3.170
  136   3HZ   LYS  17           HZ1      LYS  17  81.368   1.874  -1.792
  137    H    ASN  18           HN       ASN  18  77.066   2.889  -8.671
  138    HA   ASN  18           HA       ASN  18  75.931   5.425  -9.481
  139   1HB   ASN  18           HB2      ASN  18  77.368   3.102 -10.670
  140   2HB   ASN  18           HB1      ASN  18  76.466   4.125 -11.789
  141   1HD2  ASN  18          HD22      ASN  18  79.781   5.713 -11.576
  142   2HD2  ASN  18          HD21      ASN  18  79.095   4.317 -12.257
  143    H    GLU  19           HN       GLU  19  74.773   2.106  -9.468
  144    HA   GLU  19           HA       GLU  19  72.557   2.600 -11.320
  145   1HB   GLU  19           HB2      GLU  19  73.915   0.418 -10.105
  146   2HB   GLU  19           HB1      GLU  19  72.226   0.304  -9.608
  147   1HG   GLU  19           HG2      GLU  19  72.069   0.977 -12.303
  148   2HG   GLU  19           HG1      GLU  19  73.419  -0.157 -12.235
  149    H    PHE  20           HN       PHE  20  72.891   2.144  -7.785
  150    HA   PHE  20           HA       PHE  20  70.136   2.435  -7.114
  151   1HB   PHE  20           HB2      PHE  20  72.612   3.246  -5.555
  152   2HB   PHE  20           HB1      PHE  20  71.036   2.843  -4.872
  153    HD1  PHE  20           HD1      PHE  20  70.163   0.503  -6.299
  154    HD2  PHE  20           HD2      PHE  20  74.126   1.549  -5.015
  155    HE1  PHE  20           HE1      PHE  20  70.787  -1.898  -6.269
  156    HE2  PHE  20           HE2      PHE  20  74.750  -0.851  -4.985
  157    HZ   PHE  20           HZ       PHE  20  73.081  -2.575  -5.611
  158    H    LYS  21           HN       LYS  21  72.517   4.761  -8.109
  159    HA   LYS  21           HA       LYS  21  71.332   7.120  -6.930
  160   1HB   LYS  21           HB2      LYS  21  73.678   6.809  -7.812
  161   2HB   LYS  21           HB1      LYS  21  73.007   6.827  -9.443
  162   1HG   LYS  21           HG2      LYS  21  72.125   9.075  -9.104
  163   2HG   LYS  21           HG1      LYS  21  72.660   9.061  -7.422
  164   1HD   LYS  21           HD2      LYS  21  74.866   9.383  -7.976
  165   2HD   LYS  21           HD1      LYS  21  74.726   8.484  -9.487
  166   1HE   LYS  21           HE2      LYS  21  73.367  10.416 -10.411
  167   2HE   LYS  21           HE1      LYS  21  73.806  11.327  -8.952
  168   1HZ   LYS  21           HZ2      LYS  21  75.764   9.981 -10.737
  169   2HZ   LYS  21           HZ1      LYS  21  75.394  11.638 -10.812
  170   3HZ   LYS  21           HZ3      LYS  21  76.114  10.994  -9.418
  171    H    ALA  22           HN       ALA  22  71.064   5.583 -10.147
  172    HA   ALA  22           HA       ALA  22  69.232   7.548 -11.220
  173   1HB   ALA  22           HB1      ALA  22  70.750   5.390 -12.109
  174   2HB   ALA  22           HB3      ALA  22  69.089   4.834 -12.317
  175   3HB   ALA  22           HB2      ALA  22  69.624   6.324 -13.094
  176    H    ALA  23           HN       ALA  23  68.786   4.306  -9.777
  177    HA   ALA  23           HA       ALA  23  65.919   4.257 -10.067
  178   1HB   ALA  23           HB3      ALA  23  68.066   2.644  -9.075
  179   2HB   ALA  23           HB2      ALA  23  66.823   2.725  -7.825
  180   3HB   ALA  23           HB1      ALA  23  66.413   2.145  -9.438
  181    H    PHE  24           HN       PHE  24  68.001   4.925  -7.223
  182    HA   PHE  24           HA       PHE  24  66.122   5.514  -5.280
  183   1HB   PHE  24           HB2      PHE  24  68.481   5.589  -4.838
  184   2HB   PHE  24           HB1      PHE  24  68.728   6.860  -6.035
  185    HD1  PHE  24           HD1      PHE  24  67.544   9.120  -5.640
  186    HD2  PHE  24           HD2      PHE  24  68.030   6.133  -2.592
  187    HE1  PHE  24           HE1      PHE  24  67.154  10.838  -3.895
  188    HE2  PHE  24           HE2      PHE  24  67.640   7.851  -0.846
  189    HZ   PHE  24           HZ       PHE  24  67.202  10.204  -1.497
  190    H    ASP  25           HN       ASP  25  67.122   7.611  -7.983
  191    HA   ASP  25           HA       ASP  25  65.597   9.918  -7.130
  192   1HB   ASP  25           HB2      ASP  25  67.129   8.960  -9.485
  193   2HB   ASP  25           HB1      ASP  25  65.925  10.206  -9.813
  194    H    ILE  26           HN       ILE  26  64.684   6.920  -8.542
  195    HA   ILE  26           HA       ILE  26  62.336   7.903  -9.985
  196    HB   ILE  26           HB       ILE  26  63.054   5.109  -9.046
  197   1HG1  ILE  26          HG12      ILE  26  64.935   6.224 -10.255
  198   2HG1  ILE  26          HG11      ILE  26  64.266   4.862 -11.152
  199   1HG2  ILE  26          HG23      ILE  26  60.861   6.176 -10.487
  200   2HG2  ILE  26          HG22      ILE  26  61.864   5.319 -11.657
  201   3HG2  ILE  26          HG21      ILE  26  61.254   4.476 -10.234
  202   1HD1  ILE  26          HD11      ILE  26  62.699   6.977 -12.001
  203   2HD1  ILE  26          HD13      ILE  26  64.292   7.715 -11.838
  204   3HD1  ILE  26          HD12      ILE  26  64.074   6.311 -12.883
  205    H    PHE  27           HN       PHE  27  63.034   6.569  -6.780
  206    HA   PHE  27           HA       PHE  27  60.200   6.275  -6.077
  207   1HB   PHE  27           HB2      PHE  27  62.542   6.306  -4.174
  208   2HB   PHE  27           HB1      PHE  27  61.074   5.333  -4.096
  209    HD1  PHE  27           HD1      PHE  27  60.756   4.006  -6.558
  210    HD2  PHE  27           HD2      PHE  27  64.439   5.019  -4.588
  211    HE1  PHE  27           HE1      PHE  27  61.912   2.177  -7.772
  212    HE2  PHE  27           HE2      PHE  27  65.591   3.188  -5.799
  213    HZ   PHE  27           HZ       PHE  27  64.329   1.769  -7.392
  214    H    VAL  28           HN       VAL  28  62.793   8.635  -5.553
  215    HA   VAL  28           HA       VAL  28  61.193  10.237  -3.681
  216    HB   VAL  28           HB       VAL  28  63.194  11.544  -3.565
  217   1HG1  VAL  28          HG11      VAL  28  63.228   8.749  -3.303
  218   2HG1  VAL  28          HG13      VAL  28  64.723   9.153  -4.147
  219   3HG1  VAL  28          HG12      VAL  28  64.365   9.890  -2.584
  220   1HG2  VAL  28          HG23      VAL  28  64.001  10.198  -6.160
  221   2HG2  VAL  28          HG22      VAL  28  63.497  11.879  -5.985
  222   3HG2  VAL  28          HG21      VAL  28  65.000  11.328  -5.244
  223    H    LEU  29           HN       LEU  29  60.715   9.729  -6.809
  224    HA   LEU  29           HA       LEU  29  60.808  12.294  -8.075
  225   1HB   LEU  29           HB2      LEU  29  59.589  11.192  -9.793
  226   2HB   LEU  29           HB1      LEU  29  60.559   9.932  -9.041
  227    HG   LEU  29           HG       LEU  29  57.592  10.429  -8.764
  228   1HD1  LEU  29          HD12      LEU  29  59.299   8.571 -10.134
  229   2HD1  LEU  29          HD11      LEU  29  58.313   7.700  -8.960
  230   3HD1  LEU  29          HD13      LEU  29  57.541   8.703 -10.189
  231   1HD2  LEU  29          HD21      LEU  29  58.589  10.128  -6.471
  232   2HD2  LEU  29          HD23      LEU  29  57.522   8.810  -6.943
  233   3HD2  LEU  29          HD22      LEU  29  59.268   8.597  -7.017
  234    H    GLY  30           HN       GLY  30  59.869  13.180  -5.763
  235   1HA   GLY  30           HA2      GLY  30  57.874  14.845  -5.886
  236   2HA   GLY  30           HA1      GLY  30  56.902  13.380  -6.014
  237    H    ALA  31           HN       ALA  31  59.458  12.595  -4.070
  238    HA   ALA  31           HA       ALA  31  57.997  12.186  -1.713
  239   1HB   ALA  31           HB2      ALA  31  60.363  11.453  -2.467
  240   2HB   ALA  31           HB1      ALA  31  60.910  12.979  -1.774
  241   3HB   ALA  31           HB3      ALA  31  60.128  11.776  -0.750
  242    H    GLU  32           HN       GLU  32  58.985  13.428   0.437
  243    HA   GLU  32           HA       GLU  32  57.942  16.174   0.198
  244   1HB   GLU  32           HB2      GLU  32  59.085  14.716   2.596
  245   2HB   GLU  32           HB1      GLU  32  57.950  16.066   2.606
  246   1HG   GLU  32           HG2      GLU  32  56.255  14.663   1.499
  247   2HG   GLU  32           HG1      GLU  32  57.386  13.311   1.470
  248    H    ASP  33           HN       ASP  33  61.051  14.566   0.499
  249    HA   ASP  33           HA       ASP  33  62.390  17.220   0.290
  250   1HB   ASP  33           HB2      ASP  33  63.983  16.326   2.114
  251   2HB   ASP  33           HB1      ASP  33  62.384  16.853   2.642
  252    H    GLY  34           HN       GLY  34  61.981  14.386  -1.146
  253   1HA   GLY  34           HA2      GLY  34  63.309  13.489  -2.914
  254   2HA   GLY  34           HA1      GLY  34  64.692  14.398  -2.300
  255    H    CYS  35           HN       CYS  35  62.521  11.819  -1.069
  256    HA   CYS  35           HA       CYS  35  64.945  10.205  -0.422
  257   1HB   CYS  35           HB2      CYS  35  62.922  11.407   1.427
  258   2HB   CYS  35           HB1      CYS  35  63.540   9.802   1.820
  259    HG   CYS  35           HG       CYS  35  65.151  12.416   1.938
  260    H    ILE  36           HN       ILE  36  64.069   7.962   0.489
  261    HA   ILE  36           HA       ILE  36  61.718   7.163  -1.200
  262    HB   ILE  36           HB       ILE  36  63.883   5.258  -0.355
  263   1HG1  ILE  36          HG12      ILE  36  64.121   7.167  -2.705
  264   2HG1  ILE  36          HG11      ILE  36  65.065   7.283  -1.220
  265   1HG2  ILE  36          HG22      ILE  36  61.686   5.383  -2.254
  266   2HG2  ILE  36          HG21      ILE  36  63.202   4.959  -3.054
  267   3HG2  ILE  36          HG23      ILE  36  62.611   3.983  -1.709
  268   1HD1  ILE  36          HD11      ILE  36  65.070   4.627  -2.536
  269   2HD1  ILE  36          HD13      ILE  36  65.903   5.915  -3.408
  270   3HD1  ILE  36          HD12      ILE  36  66.391   5.504  -1.765
  271    H    SER  37           HN       SER  37  60.237   7.449   0.597
  272    HA   SER  37           HA       SER  37  60.621   6.368   3.217
  273   1HB   SER  37           HB2      SER  37  58.147   6.974   1.572
  274   2HB   SER  37           HB1      SER  37  58.125   6.651   3.303
  275    HG   SER  37           HG       SER  37  58.298   8.821   3.145
  276    H    THR  38           HN       THR  38  59.150   4.559   4.087
  277    HA   THR  38           HA       THR  38  59.736   2.087   2.732
  278    HB   THR  38           HB       THR  38  58.644   1.125   4.630
  279    HG1  THR  38           HG1      THR  38  57.028   2.100   5.667
  280   1HG2  THR  38          HG22      THR  38  60.522   3.166   4.901
  281   2HG2  THR  38          HG21      THR  38  59.295   3.548   6.109
  282   3HG2  THR  38          HG23      THR  38  60.093   1.976   6.130
  283    H    LYS  39           HN       LYS  39  56.755   4.012   3.097
  284    HA   LYS  39           HA       LYS  39  54.806   2.375   2.022
  285   1HB   LYS  39           HB2      LYS  39  53.881   4.545   1.087
  286   2HB   LYS  39           HB1      LYS  39  54.371   4.628   2.780
  287   1HG   LYS  39           HG2      LYS  39  56.679   5.392   1.807
  288   2HG   LYS  39           HG1      LYS  39  55.744   5.769   0.360
  289   1HD   LYS  39           HD2      LYS  39  54.965   6.755   3.113
  290   2HD   LYS  39           HD1      LYS  39  55.998   7.682   2.023
  291   1HE   LYS  39           HE2      LYS  39  53.984   8.534   1.301
  292   2HE   LYS  39           HE1      LYS  39  53.936   7.041   0.341
  293   1HZ   LYS  39           HZ1      LYS  39  53.077   6.956   3.148
  294   2HZ   LYS  39           HZ3      LYS  39  52.008   7.595   1.996
  295   3HZ   LYS  39           HZ2      LYS  39  52.573   6.001   1.836
  296    H    GLU  40           HN       GLU  40  57.488   3.880   0.287
  297    HA   GLU  40           HA       GLU  40  56.406   2.910  -2.316
  298   1HB   GLU  40           HB2      GLU  40  58.163   5.039  -1.326
  299   2HB   GLU  40           HB1      GLU  40  58.815   4.219  -2.747
  300   1HG   GLU  40           HG2      GLU  40  56.673   4.578  -3.930
  301   2HG   GLU  40           HG1      GLU  40  56.043   5.426  -2.517
  302    H    LEU  41           HN       LEU  41  58.999   2.334  -0.002
  303    HA   LEU  41           HA       LEU  41  60.956   0.977  -1.377
  304   1HB   LEU  41           HB2      LEU  41  60.397   1.322   1.177
  305   2HB   LEU  41           HB1      LEU  41  59.728  -0.305   1.045
  306    HG   LEU  41           HG       LEU  41  62.093  -0.389   1.739
  307   1HD1  LEU  41          HD13      LEU  41  60.910  -1.929  -0.142
  308   2HD1  LEU  41          HD12      LEU  41  62.257  -1.295  -1.088
  309   3HD1  LEU  41          HD11      LEU  41  62.568  -2.189   0.400
  310   1HD2  LEU  41          HD22      LEU  41  62.616   1.797   0.475
  311   2HD2  LEU  41          HD21      LEU  41  63.844   0.533   0.420
  312   3HD2  LEU  41          HD23      LEU  41  62.777   0.786  -0.962
  313    H    GLY  42           HN       GLY  42  57.902  -0.554  -0.268
  314   1HA   GLY  42           HA2      GLY  42  58.235  -3.119  -1.257
  315   2HA   GLY  42           HA1      GLY  42  56.675  -2.294  -1.291
  316    H    LYS  43           HN       LYS  43  56.550  -0.597  -3.176
  317    HA   LYS  43           HA       LYS  43  56.690  -1.956  -5.661
  318   1HB   LYS  43           HB2      LYS  43  56.446   0.893  -4.735
  319   2HB   LYS  43           HB1      LYS  43  56.602   0.562  -6.461
  320   1HG   LYS  43           HG2      LYS  43  54.715  -1.197  -6.039
  321   2HG   LYS  43           HG1      LYS  43  54.411  -0.266  -4.571
  322   1HD   LYS  43           HD2      LYS  43  54.540   0.952  -7.344
  323   2HD   LYS  43           HD1      LYS  43  53.040   0.480  -6.545
  324   1HE   LYS  43           HE2      LYS  43  53.460   2.047  -4.719
  325   2HE   LYS  43           HE1      LYS  43  55.041   2.466  -5.408
  326   1HZ   LYS  43           HZ3      LYS  43  52.638   2.623  -7.096
  327   2HZ   LYS  43           HZ2      LYS  43  52.967   3.889  -6.010
  328   3HZ   LYS  43           HZ1      LYS  43  54.092   3.488  -7.219
  329    H    VAL  44           HN       VAL  44  59.070   0.059  -3.996
  330    HA   VAL  44           HA       VAL  44  60.873   0.429  -6.210
  331    HB   VAL  44           HB       VAL  44  61.287   0.336  -3.202
  332   1HG1  VAL  44          HG11      VAL  44  63.109   0.816  -5.472
  333   2HG1  VAL  44          HG13      VAL  44  63.156   2.064  -4.228
  334   3HG1  VAL  44          HG12      VAL  44  63.480   0.383  -3.803
  335   1HG2  VAL  44          HG22      VAL  44  59.988   2.208  -4.973
  336   2HG2  VAL  44          HG21      VAL  44  60.161   2.288  -3.220
  337   3HG2  VAL  44          HG23      VAL  44  61.415   2.962  -4.260
  338    H    MET  45           HN       MET  45  60.878  -1.923  -3.504
  339    HA   MET  45           HA       MET  45  63.153  -3.411  -4.473
  340   1HB   MET  45           HB2      MET  45  61.008  -3.647  -2.415
  341   2HB   MET  45           HB1      MET  45  61.839  -5.137  -2.865
  342   1HG   MET  45           HG2      MET  45  63.451  -2.675  -2.272
  343   2HG   MET  45           HG1      MET  45  62.821  -3.641  -0.939
  344   1HE   MET  45           HE2      MET  45  65.125  -2.818  -3.286
  345   2HE   MET  45           HE1      MET  45  66.501  -3.874  -2.974
  346   3HE   MET  45           HE3      MET  45  65.403  -4.218  -4.318
  347    H    ARG  46           HN       ARG  46  59.778  -3.395  -5.300
  348    HA   ARG  46           HA       ARG  46  59.565  -6.084  -6.328
  349   1HB   ARG  46           HB2      ARG  46  58.073  -3.528  -6.333
  350   2HB   ARG  46           HB1      ARG  46  57.736  -4.585  -7.704
  351   1HG   ARG  46           HG2      ARG  46  56.922  -6.306  -6.352
  352   2HG   ARG  46           HG1      ARG  46  57.787  -5.730  -4.927
  353   1HD   ARG  46           HD2      ARG  46  56.283  -3.761  -4.807
  354   2HD   ARG  46           HD1      ARG  46  55.396  -4.367  -6.221
  355    HE   ARG  46           HE       ARG  46  55.122  -5.383  -3.536
  356   1HH1  ARG  46          HH21      ARG  46  56.428  -7.641  -5.117
  357   2HH1  ARG  46          HH22      ARG  46  55.035  -8.505  -5.678
  358   1HH2  ARG  46          HH11      ARG  46  52.831  -5.916  -4.998
  359   2HH2  ARG  46          HH12      ARG  46  52.998  -7.527  -5.609
  360    H    MET  47           HN       MET  47  60.162  -2.930  -7.918
  361    HA   MET  47           HA       MET  47  60.634  -4.172 -10.524
  362   1HB   MET  47           HB2      MET  47  61.090  -1.849 -11.172
  363   2HB   MET  47           HB1      MET  47  59.658  -1.904 -10.142
  364   1HG   MET  47           HG2      MET  47  61.359  -1.520  -8.193
  365   2HG   MET  47           HG1      MET  47  62.429  -0.948  -9.471
  366   1HE   MET  47           HE1      MET  47  62.381   0.664 -10.713
  367   2HE   MET  47           HE3      MET  47  61.143   1.881 -11.052
  368   3HE   MET  47           HE2      MET  47  62.244   2.094  -9.693
  369    H    LEU  48           HN       LEU  48  62.629  -2.859  -7.889
  370    HA   LEU  48           HA       LEU  48  65.163  -2.782  -9.081
  371   1HB   LEU  48           HB2      LEU  48  64.052  -3.383  -6.366
  372   2HB   LEU  48           HB1      LEU  48  65.776  -3.648  -6.631
  373    HG   LEU  48           HG       LEU  48  64.343  -1.062  -7.296
  374   1HD1  LEU  48          HD12      LEU  48  65.962  -1.882  -4.869
  375   2HD1  LEU  48          HD11      LEU  48  65.584  -0.206  -5.268
  376   3HD1  LEU  48          HD13      LEU  48  64.285  -1.340  -4.896
  377   1HD2  LEU  48          HD23      LEU  48  66.958  -2.152  -7.876
  378   2HD2  LEU  48          HD22      LEU  48  66.264  -0.613  -8.391
  379   3HD2  LEU  48          HD21      LEU  48  67.117  -0.725  -6.851
  380    H    GLY  49           HN       GLY  49  63.211  -5.570  -8.242
  381   1HA   GLY  49           HA2      GLY  49  63.778  -7.635  -9.580
  382   2HA   GLY  49           HA1      GLY  49  65.456  -7.342  -9.123
  383    H    GLN  50           HN       GLN  50  63.109  -6.639  -6.708
  384    HA   GLN  50           HA       GLN  50  63.770  -9.222  -5.327
  385   1HB   GLN  50           HB2      GLN  50  63.330  -6.459  -4.150
  386   2HB   GLN  50           HB1      GLN  50  63.851  -7.897  -3.272
  387   1HG   GLN  50           HG2      GLN  50  65.427  -6.930  -5.644
  388   2HG   GLN  50           HG1      GLN  50  65.657  -6.179  -4.064
  389   1HE2  GLN  50          HE22      GLN  50  68.060  -8.766  -3.581
  390   2HE2  GLN  50          HE21      GLN  50  67.845  -7.114  -3.912
  391    H    ASN  51           HN       ASN  51  62.102  -9.568  -3.450
  392    HA   ASN  51           HA       ASN  51  59.379  -8.570  -4.106
  393   1HB   ASN  51           HB2      ASN  51  60.367 -10.916  -5.179
  394   2HB   ASN  51           HB1      ASN  51  59.535 -11.488  -3.732
  395   1HD2  ASN  51          HD22      ASN  51  56.385  -9.887  -4.935
  396   2HD2  ASN  51          HD21      ASN  51  57.365  -9.735  -3.556
  397    HA   PRO  52           HA       PRO  52  60.435  -9.380   0.397
  398   1HB   PRO  52           HB2      PRO  52  60.243  -6.786   1.247
  399   2HB   PRO  52           HB1      PRO  52  61.757  -7.499   0.652
  400   1HG   PRO  52           HG2      PRO  52  59.824  -5.717  -0.746
  401   2HG   PRO  52           HG1      PRO  52  61.594  -5.742  -0.817
  402   1HD   PRO  52           HD2      PRO  52  59.990  -6.804  -2.754
  403   2HD   PRO  52           HD1      PRO  52  61.637  -7.380  -2.412
  404    H    THR  53           HN       THR  53  58.861  -9.239   2.149
  405    HA   THR  53           HA       THR  53  56.086  -9.004   1.202
  406    HB   THR  53           HB       THR  53  55.947  -9.550   3.857
  407    HG1  THR  53           HG1      THR  53  58.287 -10.893   3.254
  408   1HG2  THR  53          HG23      THR  53  55.170 -10.969   1.964
  409   2HG2  THR  53          HG22      THR  53  56.826 -11.534   1.741
  410   3HG2  THR  53          HG21      THR  53  55.958 -11.910   3.229
  411    HA   PRO  54           HA       PRO  54  55.189  -5.050   2.881
  412   1HB   PRO  54           HB2      PRO  54  52.813  -5.419   4.187
  413   2HB   PRO  54           HB1      PRO  54  52.952  -5.419   2.418
  414   1HG   PRO  54           HG2      PRO  54  52.747  -7.714   4.300
  415   2HG   PRO  54           HG1      PRO  54  52.023  -7.500   2.698
  416   1HD   PRO  54           HD2      PRO  54  54.241  -9.023   3.161
  417   2HD   PRO  54           HD1      PRO  54  53.904  -8.221   1.610
  418    H    GLU  55           HN       GLU  55  55.118  -7.744   5.156
  419    HA   GLU  55           HA       GLU  55  55.244  -6.048   7.542
  420   1HB   GLU  55           HB2      GLU  55  54.821  -8.794   6.813
  421   2HB   GLU  55           HB1      GLU  55  56.105  -8.725   8.019
  422   1HG   GLU  55           HG2      GLU  55  54.697  -8.026   9.664
  423   2HG   GLU  55           HG1      GLU  55  53.804  -6.961   8.577
  424    H    GLU  56           HN       GLU  56  57.541  -7.999   5.631
  425    HA   GLU  56           HA       GLU  56  59.820  -7.593   7.331
  426   1HB   GLU  56           HB2      GLU  56  59.159  -8.587   4.630
  427   2HB   GLU  56           HB1      GLU  56  60.800  -7.960   4.790
  428   1HG   GLU  56           HG2      GLU  56  59.519 -10.070   6.552
  429   2HG   GLU  56           HG1      GLU  56  60.763 -10.350   5.334
  430    H    LEU  57           HN       LEU  57  58.479  -5.746   4.608
  431    HA   LEU  57           HA       LEU  57  60.525  -3.974   3.982
  432   1HB   LEU  57           HB2      LEU  57  57.550  -3.874   4.156
  433   2HB   LEU  57           HB1      LEU  57  58.385  -2.336   3.931
  434    HG   LEU  57           HG       LEU  57  59.089  -4.715   2.226
  435   1HD1  LEU  57          HD13      LEU  57  56.601  -3.136   2.197
  436   2HD1  LEU  57          HD12      LEU  57  57.433  -3.201   0.643
  437   3HD1  LEU  57          HD11      LEU  57  56.953  -4.695   1.450
  438   1HD2  LEU  57          HD21      LEU  57  60.034  -2.086   2.481
  439   2HD2  LEU  57          HD23      LEU  57  60.391  -3.204   1.166
  440   3HD2  LEU  57          HD22      LEU  57  59.050  -2.068   1.017
  441    H    GLN  58           HN       GLN  58  57.969  -2.950   6.269
  442    HA   GLN  58           HA       GLN  58  59.292  -0.803   7.452
  443   1HB   GLN  58           HB2      GLN  58  56.919  -1.884   7.760
  444   2HB   GLN  58           HB1      GLN  58  57.683  -2.746   9.095
  445   1HG   GLN  58           HG2      GLN  58  57.412   0.247   8.741
  446   2HG   GLN  58           HG1      GLN  58  56.755  -0.750  10.039
  447   1HE2  GLN  58          HE22      GLN  58  60.535   0.652  10.328
  448   2HE2  GLN  58          HE21      GLN  58  59.515   1.080   9.040
  449    H    GLU  59           HN       GLU  59  59.434  -4.224   8.510
  450    HA   GLU  59           HA       GLU  59  61.158  -3.894  10.732
  451   1HB   GLU  59           HB2      GLU  59  60.613  -6.087   8.732
  452   2HB   GLU  59           HB1      GLU  59  61.783  -6.327  10.030
  453   1HG   GLU  59           HG2      GLU  59  59.731  -5.295  11.459
  454   2HG   GLU  59           HG1      GLU  59  58.825  -6.086  10.169
  455    H    MET  60           HN       MET  60  62.128  -4.962   7.440
  456    HA   MET  60           HA       MET  60  64.918  -4.815   7.791
  457   1HB   MET  60           HB2      MET  60  62.992  -5.116   5.704
  458   2HB   MET  60           HB1      MET  60  64.185  -3.935   5.160
  459   1HG   MET  60           HG2      MET  60  65.937  -5.452   5.262
  460   2HG   MET  60           HG1      MET  60  65.150  -6.436   6.497
  461   1HE   MET  60           HE2      MET  60  65.959  -8.205   5.580
  462   2HE   MET  60           HE1      MET  60  64.667  -9.246   4.987
  463   3HE   MET  60           HE3      MET  60  65.949  -8.710   3.892
  464    H    ILE  61           HN       ILE  61  62.601  -2.225   7.090
  465    HA   ILE  61           HA       ILE  61  64.723  -0.226   6.676
  466    HB   ILE  61           HB       ILE  61  61.704  -0.268   6.768
  467   1HG1  ILE  61          HG12      ILE  61  63.470   0.761   4.557
  468   2HG1  ILE  61          HG11      ILE  61  63.233  -0.975   4.759
  469   1HG2  ILE  61          HG23      ILE  61  63.570   2.104   6.746
  470   2HG2  ILE  61          HG22      ILE  61  61.967   2.196   6.016
  471   3HG2  ILE  61          HG21      ILE  61  62.134   1.847   7.737
  472   1HD1  ILE  61          HD12      ILE  61  60.763   0.650   4.877
  473   2HD1  ILE  61          HD11      ILE  61  61.563   0.614   3.306
  474   3HD1  ILE  61          HD13      ILE  61  61.059  -0.892   4.073
  475    H    ASP  62           HN       ASP  62  63.335  -1.694   9.370
  476    HA   ASP  62           HA       ASP  62  63.445   0.730  11.086
  477   1HB   ASP  62           HB2      ASP  62  61.631  -1.112  11.072
  478   2HB   ASP  62           HB1      ASP  62  62.828  -2.117  11.891
  479    H    GLU  63           HN       GLU  63  65.165  -2.300  10.491
  480    HA   GLU  63           HA       GLU  63  66.977  -1.874  12.789
  481   1HB   GLU  63           HB2      GLU  63  67.819  -4.054  12.140
  482   2HB   GLU  63           HB1      GLU  63  66.060  -4.104  12.013
  483   1HG   GLU  63           HG2      GLU  63  66.156  -3.782   9.618
  484   2HG   GLU  63           HG1      GLU  63  67.896  -3.498   9.681
  485    H    VAL  64           HN       VAL  64  66.752  -0.674   9.669
  486    HA   VAL  64           HA       VAL  64  69.726  -0.479   9.375
  487    HB   VAL  64           HB       VAL  64  67.969  -1.525   7.654
  488   1HG1  VAL  64          HG12      VAL  64  66.740   0.747   7.629
  489   2HG1  VAL  64          HG11      VAL  64  68.096   1.322   6.659
  490   3HG1  VAL  64          HG13      VAL  64  67.089  -0.001   6.071
  491   1HG2  VAL  64          HG23      VAL  64  70.581  -0.782   7.552
  492   2HG2  VAL  64          HG22      VAL  64  69.720  -1.508   6.195
  493   3HG2  VAL  64          HG21      VAL  64  69.908   0.244   6.285
  494    H    ASP  65           HN       ASP  65  66.696   1.369   9.390
  495    HA   ASP  65           HA       ASP  65  67.722   3.928   8.682
  496   1HB   ASP  65           HB2      ASP  65  65.321   3.120   8.948
  497   2HB   ASP  65           HB1      ASP  65  65.539   3.299  10.690
  498    H    GLU  66           HN       GLU  66  68.572   5.622   9.990
  499    HA   GLU  66           HA       GLU  66  69.338   4.845  12.786
  500   1HB   GLU  66           HB2      GLU  66  71.096   4.805  10.870
  501   2HB   GLU  66           HB1      GLU  66  70.998   6.565  10.945
  502   1HG   GLU  66           HG2      GLU  66  72.810   5.834  12.388
  503   2HG   GLU  66           HG1      GLU  66  71.494   6.431  13.399
  504    H    ASP  67           HN       ASP  67  68.392   7.411  10.549
  505    HA   ASP  67           HA       ASP  67  68.536   9.522  12.584
  506   1HB   ASP  67           HB2      ASP  67  67.613  10.876  10.740
  507   2HB   ASP  67           HB1      ASP  67  68.942   9.873  10.159
  508    H    GLY  68           HN       GLY  68  66.503   6.975  12.337
  509   1HA   GLY  68           HA2      GLY  68  64.239   6.595  12.879
  510   2HA   GLY  68           HA1      GLY  68  64.547   7.823  14.108
  511    H    SER  69           HN       SER  69  64.548   8.246  10.580
  512    HA   SER  69           HA       SER  69  62.590  10.457  10.906
  513   1HB   SER  69           HB2      SER  69  63.343  11.028   8.643
  514   2HB   SER  69           HB1      SER  69  64.744  10.714   9.664
  515    HG   SER  69           HG       SER  69  65.193   9.411   8.046
  516    H    GLY  70           HN       GLY  70  62.879   7.233   9.530
  517   1HA   GLY  70           HA2      GLY  70  60.900   5.861   9.161
  518   2HA   GLY  70           HA1      GLY  70  59.979   7.335   8.858
  519    H    THR  71           HN       THR  71  62.735   7.945   7.277
  520    HA   THR  71           HA       THR  71  61.713   6.730   4.733
  521    HB   THR  71           HB       THR  71  62.638   8.736   3.675
  522    HG1  THR  71           HG1      THR  71  64.404   8.909   5.186
  523   1HG2  THR  71          HG23      THR  71  60.812   8.985   6.022
  524   2HG2  THR  71          HG22      THR  71  61.384  10.472   5.265
  525   3HG2  THR  71          HG21      THR  71  60.492   9.285   4.314
  526    H    VAL  72           HN       VAL  72  63.442   6.221   3.124
  527    HA   VAL  72           HA       VAL  72  65.945   5.300   4.487
  528    HB   VAL  72           HB       VAL  72  64.643   4.332   1.925
  529   1HG1  VAL  72          HG13      VAL  72  66.899   3.388   3.678
  530   2HG1  VAL  72          HG12      VAL  72  66.015   2.252   2.659
  531   3HG1  VAL  72          HG11      VAL  72  66.873   3.609   1.929
  532   1HG2  VAL  72          HG23      VAL  72  64.161   3.678   4.806
  533   2HG2  VAL  72          HG22      VAL  72  63.019   3.724   3.464
  534   3HG2  VAL  72          HG21      VAL  72  64.118   2.357   3.639
  535    H    ASP  73           HN       ASP  73  67.455   6.918   4.088
  536    HA   ASP  73           HA       ASP  73  67.527   8.288   1.470
  537   1HB   ASP  73           HB2      ASP  73  67.837   9.493   3.603
  538   2HB   ASP  73           HB1      ASP  73  69.234   8.483   3.974
  539    H    PHE  74           HN       PHE  74  69.790   8.487   0.441
  540    HA   PHE  74           HA       PHE  74  70.757   6.087  -0.568
  541   1HB   PHE  74           HB2      PHE  74  71.326   8.735  -0.822
  542   2HB   PHE  74           HB1      PHE  74  72.781   8.180   0.008
  543    HD1  PHE  74           HD2      PHE  74  70.597   7.538  -2.945
  544    HD2  PHE  74           HD1      PHE  74  74.443   6.932  -1.133
  545    HE1  PHE  74           HE2      PHE  74  71.445   6.580  -5.068
  546    HE2  PHE  74           HE1      PHE  74  75.292   5.973  -3.257
  547    HZ   PHE  74           HZ       PHE  74  73.793   5.797  -5.225
  548    H    ASP  75           HN       ASP  75  71.646   7.657   2.483
  549    HA   ASP  75           HA       ASP  75  73.884   5.965   3.122
  550   1HB   ASP  75           HB2      ASP  75  73.098   8.239   4.073
  551   2HB   ASP  75           HB1      ASP  75  72.005   7.290   5.081
  552    H    GLU  76           HN       GLU  76  70.432   5.826   4.072
  553    HA   GLU  76           HA       GLU  76  70.826   3.262   5.466
  554   1HB   GLU  76           HB2      GLU  76  68.445   5.027   4.819
  555   2HB   GLU  76           HB1      GLU  76  68.321   3.543   5.765
  556   1HG   GLU  76           HG2      GLU  76  69.618   4.410   7.528
  557   2HG   GLU  76           HG1      GLU  76  70.302   5.685   6.520
  558    H    PHE  77           HN       PHE  77  69.254   4.421   2.480
  559    HA   PHE  77           HA       PHE  77  67.948   2.132   1.578
  560   1HB   PHE  77           HB2      PHE  77  68.136   4.427   0.528
  561   2HB   PHE  77           HB1      PHE  77  69.718   3.948  -0.086
  562    HD1  PHE  77           HD2      PHE  77  66.140   2.839  -0.028
  563    HD2  PHE  77           HD1      PHE  77  69.885   2.819  -2.131
  564    HE1  PHE  77           HE2      PHE  77  65.053   1.708  -1.949
  565    HE2  PHE  77           HE1      PHE  77  68.798   1.690  -4.054
  566    HZ   PHE  77           HZ       PHE  77  66.383   1.134  -3.963
  567    H    LEU  78           HN       LEU  78  71.261   2.949   0.482
  568    HA   LEU  78           HA       LEU  78  71.971   0.506  -0.653
  569   1HB   LEU  78           HB2      LEU  78  73.339   2.790   0.663
  570   2HB   LEU  78           HB1      LEU  78  74.309   1.330   0.465
  571    HG   LEU  78           HG       LEU  78  72.831   2.821  -1.723
  572   1HD1  LEU  78          HD11      LEU  78  75.579   2.834  -0.678
  573   2HD1  LEU  78          HD13      LEU  78  75.490   2.577  -2.420
  574   3HD1  LEU  78          HD12      LEU  78  74.761   4.014  -1.702
  575   1HD2  LEU  78          HD21      LEU  78  74.176   0.137  -1.610
  576   2HD2  LEU  78          HD23      LEU  78  72.688   0.603  -2.433
  577   3HD2  LEU  78          HD22      LEU  78  74.249   1.075  -3.102
  578    H    VAL  79           HN       VAL  79  72.371   1.450   2.779
  579    HA   VAL  79           HA       VAL  79  73.626  -0.854   3.779
  580    HB   VAL  79           HB       VAL  79  71.445   0.891   4.974
  581   1HG1  VAL  79          HG11      VAL  79  71.886  -1.318   6.147
  582   2HG1  VAL  79          HG13      VAL  79  73.535  -0.755   6.421
  583   3HG1  VAL  79          HG12      VAL  79  72.175   0.118   7.129
  584   1HG2  VAL  79          HG21      VAL  79  73.734   1.831   4.065
  585   2HG2  VAL  79          HG23      VAL  79  73.144   2.349   5.644
  586   3HG2  VAL  79          HG22      VAL  79  74.391   1.108   5.532
  587    H    MET  80           HN       MET  80  70.092  -0.279   3.487
  588    HA   MET  80           HA       MET  80  69.151  -2.725   4.496
  589   1HB   MET  80           HB2      MET  80  68.121  -0.488   3.299
  590   2HB   MET  80           HB1      MET  80  67.827  -1.705   2.055
  591   1HG   MET  80           HG2      MET  80  67.195  -2.588   4.797
  592   2HG   MET  80           HG1      MET  80  66.183  -1.272   4.203
  593   1HE   MET  80           HE2      MET  80  65.238  -1.052   2.250
  594   2HE   MET  80           HE1      MET  80  65.226  -2.160   0.881
  595   3HE   MET  80           HE3      MET  80  63.914  -2.200   2.066
  596    H    MET  81           HN       MET  81  70.245  -1.973   1.181
  597    HA   MET  81           HA       MET  81  69.682  -4.532   0.030
  598   1HB   MET  81           HB2      MET  81  71.338  -2.121  -0.537
  599   2HB   MET  81           HB1      MET  81  71.754  -3.589  -1.425
  600   1HG   MET  81           HG2      MET  81  70.092  -2.232  -2.658
  601   2HG   MET  81           HG1      MET  81  69.427  -3.798  -2.195
  602   1HE   MET  81           HE3      MET  81  67.584  -2.165  -3.156
  603   2HE   MET  81           HE2      MET  81  66.503  -1.256  -2.100
  604   3HE   MET  81           HE1      MET  81  67.969  -0.495  -2.714
  605    H    VAL  82           HN       VAL  82  72.845  -3.208   1.102
  606    HA   VAL  82           HA       VAL  82  74.347  -5.593   0.870
  607    HB   VAL  82           HB       VAL  82  75.322  -3.389   1.209
  608   1HG1  VAL  82          HG13      VAL  82  73.855  -3.512   3.854
  609   2HG1  VAL  82          HG12      VAL  82  75.126  -2.339   3.509
  610   3HG1  VAL  82          HG11      VAL  82  73.637  -2.332   2.562
  611   1HG2  VAL  82          HG22      VAL  82  75.945  -5.674   2.882
  612   2HG2  VAL  82          HG21      VAL  82  77.045  -4.523   2.120
  613   3HG2  VAL  82          HG23      VAL  82  76.358  -4.169   3.706
  614    H    ARG  83           HN       ARG  83  72.051  -4.596   3.327
  615    HA   ARG  83           HA       ARG  83  72.880  -6.412   5.413
  616   1HB   ARG  83           HB2      ARG  83  70.571  -4.675   4.706
  617   2HB   ARG  83           HB1      ARG  83  70.241  -5.973   5.855
  618   1HG   ARG  83           HG2      ARG  83  72.568  -5.044   6.876
  619   2HG   ARG  83           HG1      ARG  83  71.937  -3.556   6.167
  620   1HD   ARG  83           HD2      ARG  83  70.943  -3.500   8.291
  621   2HD   ARG  83           HD1      ARG  83  69.686  -4.336   7.357
  622    HE   ARG  83           HE       ARG  83  71.436  -5.574   9.352
  623   1HH1  ARG  83          HH21      ARG  83  68.632  -5.890   7.584
  624   2HH1  ARG  83          HH22      ARG  83  68.724  -7.607   7.387
  625   1HH2  ARG  83          HH11      ARG  83  71.941  -7.849   8.656
  626   2HH2  ARG  83          HH12      ARG  83  70.595  -8.717   7.997
  627    H    CYS  84           HN       CYS  84  70.486  -6.642   2.776
  628    HA   CYS  84           HA       CYS  84  70.199  -9.564   3.396
  629   1HB   CYS  84           HB2      CYS  84  68.168  -8.199   3.689
  630   2HB   CYS  84           HB1      CYS  84  68.332  -7.591   2.041
  631    HG   CYS  84           HG       CYS  84  67.591 -10.537   2.766
  632    H    MET  85           HN       MET  85  72.221  -9.810   2.027
  633    HA   MET  85           HA       MET  85  71.525 -10.501  -0.704
  634   1HB   MET  85           HB2      MET  85  72.820  -8.762  -1.814
  635   2HB   MET  85           HB1      MET  85  71.659  -7.988  -0.736
  636   1HG   MET  85           HG2      MET  85  73.283  -7.191   0.655
  637   2HG   MET  85           HG1      MET  85  74.279  -8.634   0.486
  638   1HE   MET  85           HE3      MET  85  72.525  -6.136  -1.448
  639   2HE   MET  85           HE2      MET  85  73.746  -4.865  -1.403
  640   3HE   MET  85           HE1      MET  85  73.505  -5.793  -2.880
  641    H    LYS  86           HN       LYS  86  74.439  -9.788  -1.442
  642    HA   LYS  86           HA       LYS  86  75.629 -12.319  -0.816
  643   1HB   LYS  86           HB2      LYS  86  76.227  -9.836  -2.222
  644   2HB   LYS  86           HB1      LYS  86  77.662 -10.485  -1.426
  645   1HG   LYS  86           HG2      LYS  86  77.201 -12.700  -2.474
  646   2HG   LYS  86           HG1      LYS  86  75.841 -11.980  -3.336
  647   1HD   LYS  86           HD2      LYS  86  77.289 -10.486  -4.542
  648   2HD   LYS  86           HD1      LYS  86  78.671 -10.924  -3.536
  649   1HE   LYS  86           HE2      LYS  86  78.848 -13.080  -4.510
  650   2HE   LYS  86           HE1      LYS  86  77.208 -12.999  -5.184
  651   1HZ   LYS  86           HZ2      LYS  86  78.085 -10.902  -6.354
  652   2HZ   LYS  86           HZ1      LYS  86  79.628 -11.536  -6.031
  653   3HZ   LYS  86           HZ3      LYS  86  78.533 -12.417  -6.981
  654    H    ASP  87           HN       ASP  87  77.267  -9.303   0.054
  655    HA   ASP  87           HA       ASP  87  78.401  -8.690   2.036
  656   1HB   ASP  87           HB2      ASP  87  75.768  -9.364   2.581
  657   2HB   ASP  87           HB1      ASP  87  76.670 -10.323   3.756
  658    H    ASP  88           HN       ASP  88  79.882 -10.549   0.883
  659    HA   ASP  88           HA       ASP  88  81.505 -12.209   1.345
  660   1HB   ASP  88           HB2      ASP  88  81.272 -10.734   3.547
  661   2HB   ASP  88           HB1      ASP  88  80.591 -12.226   4.199
  662    H    SER  89           HN       SER  89  81.301 -14.298   3.315
  663    HA   SER  89           HA       SER  89  80.295 -16.417   3.616
  664   1HB   SER  89           HB2      SER  89  78.424 -14.758   4.216
  665   2HB   SER  89           HB1      SER  89  77.794 -15.050   2.598
  666    HG   SER  89           HG       SER  89  78.463 -17.242   4.203
   
  No H/Q in entry =         666
  Start of MODEL   32
    1   1H    MET   1           HT1      MET   1  73.179  -1.033  18.218
    2   2H    MET   1           HT3      MET   1  71.827  -0.104  17.788
    3   3H    MET   1           HT2      MET   1  72.102  -1.601  17.032
    4    HA   MET   1           HA       MET   1  72.908  -0.217  15.409
    5   1HB   MET   1           HB2      MET   1  73.919   1.969  16.037
    6   2HB   MET   1           HB1      MET   1  72.315   1.764  16.743
    7   1HG   MET   1           HG2      MET   1  73.919   0.645  18.672
    8   2HG   MET   1           HG1      MET   1  74.939   1.951  18.070
    9   1HE   MET   1           HE2      MET   1  72.421   0.616  19.941
   10   2HE   MET   1           HE1      MET   1  72.033   1.884  21.101
   11   3HE   MET   1           HE3      MET   1  70.966   1.583  19.723
   12    H    ASP   2           HN       ASP   2  74.946  -0.439  14.408
   13    HA   ASP   2           HA       ASP   2  77.390  -0.802  15.985
   14   1HB   ASP   2           HB2      ASP   2  75.669  -2.978  15.600
   15   2HB   ASP   2           HB1      ASP   2  76.938  -3.205  14.397
   16    H    ASP   3           HN       ASP   3  79.269  -1.232  14.508
   17    HA   ASP   3           HA       ASP   3  78.865   0.131  11.908
   18   1HB   ASP   3           HB2      ASP   3  81.415  -0.856  13.217
   19   2HB   ASP   3           HB1      ASP   3  81.250   0.426  12.017
   20    H    ILE   4           HN       ILE   4  81.539  -1.594  11.358
   21    HA   ILE   4           HA       ILE   4  82.061  -3.526  10.121
   22    HB   ILE   4           HB       ILE   4  79.430  -4.483  11.294
   23   1HG1  ILE   4          HG12      ILE   4  82.252  -4.694  12.393
   24   2HG1  ILE   4          HG11      ILE   4  81.011  -3.600  13.007
   25   1HG2  ILE   4          HG23      ILE   4  81.081  -5.688   9.425
   26   2HG2  ILE   4          HG22      ILE   4  81.635  -6.378  10.951
   27   3HG2  ILE   4          HG21      ILE   4  79.942  -6.526  10.478
   28   1HD1  ILE   4          HD12      ILE   4  80.085  -6.375  12.782
   29   2HD1  ILE   4          HD11      ILE   4  81.441  -6.186  13.895
   30   3HD1  ILE   4          HD13      ILE   4  79.963  -5.257  14.141
   31    H    TYR   5           HN       TYR   5  78.481  -3.364   9.924
   32    HA   TYR   5           HA       TYR   5  78.296  -4.099   7.194
   33   1HB   TYR   5           HB2      TYR   5  76.612  -2.624   9.189
   34   2HB   TYR   5           HB1      TYR   5  76.085  -2.660   7.506
   35    HD1  TYR   5           HD2      TYR   5  76.845  -4.716  10.480
   36    HD2  TYR   5           HD1      TYR   5  75.354  -4.716   6.452
   37    HE1  TYR   5           HE2      TYR   5  75.992  -7.023  10.797
   38    HE2  TYR   5           HE1      TYR   5  74.501  -7.023   6.768
   39    HH   TYR   5           HH       TYR   5  75.033  -8.774   9.828
   40    H    LYS   6           HN       LYS   6  79.283  -1.092   8.628
   41    HA   LYS   6           HA       LYS   6  78.628   0.675   6.446
   42   1HB   LYS   6           HB2      LYS   6  80.011   2.216   7.651
   43   2HB   LYS   6           HB1      LYS   6  79.263   1.192   8.875
   44   1HG   LYS   6           HG2      LYS   6  81.253  -0.089   9.167
   45   2HG   LYS   6           HG1      LYS   6  81.985   0.574   7.706
   46   1HD   LYS   6           HD2      LYS   6  81.941   2.841   8.787
   47   2HD   LYS   6           HD1      LYS   6  81.395   2.066  10.275
   48   1HE   LYS   6           HE2      LYS   6  83.715   2.105  10.614
   49   2HE   LYS   6           HE1      LYS   6  83.519   0.514   9.849
   50   1HZ   LYS   6           HZ1      LYS   6  83.701   2.794   8.053
   51   2HZ   LYS   6           HZ3      LYS   6  85.130   2.391   8.873
   52   3HZ   LYS   6           HZ2      LYS   6  84.357   1.234   7.898
   53    H    ALA   7           HN       ALA   7  81.078  -1.730   6.886
   54    HA   ALA   7           HA       ALA   7  83.008  -0.614   4.999
   55   1HB   ALA   7           HB2      ALA   7  82.579  -3.097   6.604
   56   2HB   ALA   7           HB1      ALA   7  83.672  -3.209   5.225
   57   3HB   ALA   7           HB3      ALA   7  83.997  -2.053   6.515
   58    H    ALA   8           HN       ALA   8  80.586  -3.250   4.882
   59    HA   ALA   8           HA       ALA   8  81.040  -4.144   2.241
   60   1HB   ALA   8           HB2      ALA   8  79.380  -4.761   4.282
   61   2HB   ALA   8           HB1      ALA   8  78.242  -3.912   3.235
   62   3HB   ALA   8           HB3      ALA   8  79.103  -5.328   2.635
   63    H    VAL   9           HN       VAL   9  78.906  -1.513   3.391
   64    HA   VAL   9           HA       VAL   9  77.742  -0.779   0.920
   65    HB   VAL   9           HB       VAL   9  78.618   0.945   3.262
   66   1HG1  VAL   9          HG13      VAL   9  77.308   1.573   0.783
   67   2HG1  VAL   9          HG12      VAL   9  76.162   1.789   2.106
   68   3HG1  VAL   9          HG11      VAL   9  77.700   2.652   2.121
   69   1HG2  VAL   9          HG21      VAL   9  76.829  -1.229   3.178
   70   2HG2  VAL   9          HG23      VAL   9  76.973  -0.028   4.462
   71   3HG2  VAL   9          HG22      VAL   9  75.814   0.213   3.155
   72    H    GLU  10           HN       GLU  10  80.719   0.520   2.444
   73    HA   GLU  10           HA       GLU  10  81.407   2.177   0.164
   74   1HB   GLU  10           HB2      GLU  10  82.054   2.148   2.757
   75   2HB   GLU  10           HB1      GLU  10  83.419   1.207   2.154
   76   1HG   GLU  10           HG2      GLU  10  83.454   3.187   0.338
   77   2HG   GLU  10           HG1      GLU  10  82.734   4.069   1.685
   78    H    GLN  11           HN       GLN  11  81.506  -1.165   0.583
   79    HA   GLN  11           HA       GLN  11  84.020  -1.642  -0.879
   80   1HB   GLN  11           HB2      GLN  11  82.201  -3.047   0.824
   81   2HB   GLN  11           HB1      GLN  11  82.317  -3.937  -0.696
   82   1HG   GLN  11           HG2      GLN  11  84.535  -4.439  -0.393
   83   2HG   GLN  11           HG1      GLN  11  84.872  -2.925   0.446
   84   1HE2  GLN  11          HE22      GLN  11  83.760  -4.219   3.648
   85   2HE2  GLN  11          HE21      GLN  11  83.741  -2.794   2.726
   86    H    LEU  12           HN       LEU  12  80.755  -0.975  -1.672
   87    HA   LEU  12           HA       LEU  12  80.459  -2.531  -4.073
   88   1HB   LEU  12           HB2      LEU  12  79.280   0.136  -3.223
   89   2HB   LEU  12           HB1      LEU  12  78.630  -0.911  -4.485
   90    HG   LEU  12           HG       LEU  12  79.047  -1.869  -1.648
   91   1HD1  LEU  12          HD12      LEU  12  77.255   0.124  -2.393
   92   2HD1  LEU  12          HD11      LEU  12  76.285  -1.348  -2.460
   93   3HD1  LEU  12          HD13      LEU  12  77.117  -0.906  -0.969
   94   1HD2  LEU  12          HD23      LEU  12  78.766  -3.439  -3.686
   95   2HD2  LEU  12          HD22      LEU  12  77.702  -3.707  -2.305
   96   3HD2  LEU  12          HD21      LEU  12  77.100  -2.864  -3.732
   97    H    THR  13           HN       THR  13  81.085  -2.064  -6.185
   98    HA   THR  13           HA       THR  13  83.269  -0.241  -6.641
   99    HB   THR  13           HB       THR  13  82.456  -0.869  -9.105
  100    HG1  THR  13           HG1      THR  13  81.126  -2.611  -9.113
  101   1HG2  THR  13          HG22      THR  13  83.664  -2.666  -7.004
  102   2HG2  THR  13          HG21      THR  13  83.500  -3.187  -8.681
  103   3HG2  THR  13          HG23      THR  13  84.483  -1.777  -8.288
  104    H    GLU  14           HN       GLU  14  83.254   1.759  -7.782
  105    HA   GLU  14           HA       GLU  14  81.155   3.582  -7.331
  106   1HB   GLU  14           HB2      GLU  14  83.608   3.368  -8.957
  107   2HB   GLU  14           HB1      GLU  14  82.429   4.523  -9.580
  108   1HG   GLU  14           HG2      GLU  14  83.146   5.994  -8.035
  109   2HG   GLU  14           HG1      GLU  14  82.483   4.931  -6.793
  110    H    GLU  15           HN       GLU  15  81.777   1.526 -10.175
  111    HA   GLU  15           HA       GLU  15  79.735   2.578 -11.874
  112   1HB   GLU  15           HB2      GLU  15  79.968   0.252 -12.905
  113   2HB   GLU  15           HB1      GLU  15  81.474   1.151 -12.722
  114   1HG   GLU  15           HG2      GLU  15  82.313  -0.424 -11.350
  115   2HG   GLU  15           HG1      GLU  15  80.894  -0.331 -10.306
  116    H    GLN  16           HN       GLN  16  79.585   0.460  -9.097
  117    HA   GLN  16           HA       GLN  16  76.933  -0.620  -9.711
  118   1HB   GLN  16           HB2      GLN  16  78.718  -1.769  -8.383
  119   2HB   GLN  16           HB1      GLN  16  78.535  -0.537  -7.133
  120   1HG   GLN  16           HG2      GLN  16  76.556  -1.398  -6.388
  121   2HG   GLN  16           HG1      GLN  16  76.025  -1.847  -8.008
  122   1HE2  GLN  16          HE22      GLN  16  78.340  -4.496  -5.876
  123   2HE2  GLN  16          HE21      GLN  16  78.372  -2.849  -5.465
  124    H    LYS  17           HN       LYS  17  78.034   1.320  -6.907
  125    HA   LYS  17           HA       LYS  17  75.566   2.222  -5.987
  126   1HB   LYS  17           HB2      LYS  17  78.382   3.084  -5.933
  127   2HB   LYS  17           HB1      LYS  17  77.235   4.392  -5.644
  128   1HG   LYS  17           HG2      LYS  17  76.667   3.585  -3.608
  129   2HG   LYS  17           HG1      LYS  17  76.538   1.933  -4.212
  130   1HD   LYS  17           HD2      LYS  17  78.346   2.037  -2.581
  131   2HD   LYS  17           HD1      LYS  17  79.035   1.778  -4.184
  132   1HE   LYS  17           HE2      LYS  17  79.065   4.468  -4.174
  133   2HE   LYS  17           HE1      LYS  17  79.199   4.182  -2.427
  134   1HZ   LYS  17           HZ3      LYS  17  80.961   2.553  -2.907
  135   2HZ   LYS  17           HZ2      LYS  17  80.888   2.969  -4.553
  136   3HZ   LYS  17           HZ1      LYS  17  81.387   4.118  -3.405
  137    H    ASN  18           HN       ASN  18  77.253   3.198  -8.891
  138    HA   ASN  18           HA       ASN  18  75.905   5.712  -9.325
  139   1HB   ASN  18           HB2      ASN  18  77.798   3.939 -10.605
  140   2HB   ASN  18           HB1      ASN  18  76.626   4.521 -11.788
  141   1HD2  ASN  18          HD22      ASN  18  79.411   7.067 -10.318
  142   2HD2  ASN  18          HD21      ASN  18  79.377   5.430  -9.871
  143    H    GLU  19           HN       GLU  19  75.309   2.408 -10.579
  144    HA   GLU  19           HA       GLU  19  72.998   3.072 -12.137
  145   1HB   GLU  19           HB2      GLU  19  74.227   0.628 -10.904
  146   2HB   GLU  19           HB1      GLU  19  72.610   0.499 -11.600
  147   1HG   GLU  19           HG2      GLU  19  74.536   1.950 -13.294
  148   2HG   GLU  19           HG1      GLU  19  74.940   0.253 -13.031
  149    H    PHE  20           HN       PHE  20  73.398   2.101  -8.741
  150    HA   PHE  20           HA       PHE  20  70.563   1.861  -8.181
  151   1HB   PHE  20           HB2      PHE  20  73.111   2.130  -6.580
  152   2HB   PHE  20           HB1      PHE  20  71.540   2.055  -5.783
  153    HD1  PHE  20           HD1      PHE  20  73.956   0.216  -7.888
  154    HD2  PHE  20           HD2      PHE  20  70.217   0.022  -5.782
  155    HE1  PHE  20           HE1      PHE  20  73.948  -2.252  -8.131
  156    HE2  PHE  20           HE2      PHE  20  70.209  -2.446  -6.025
  157    HZ   PHE  20           HZ       PHE  20  72.074  -3.584  -7.199
  158    H    LYS  21           HN       LYS  21  72.885   4.502  -8.163
  159    HA   LYS  21           HA       LYS  21  71.530   6.386  -6.532
  160   1HB   LYS  21           HB2      LYS  21  73.805   6.673  -7.331
  161   2HB   LYS  21           HB1      LYS  21  73.258   6.673  -9.008
  162   1HG   LYS  21           HG2      LYS  21  72.273   8.792  -8.824
  163   2HG   LYS  21           HG1      LYS  21  72.167   8.695  -7.065
  164   1HD   LYS  21           HD2      LYS  21  74.316   9.403  -6.764
  165   2HD   LYS  21           HD1      LYS  21  74.906   8.526  -8.176
  166   1HE   LYS  21           HE2      LYS  21  73.083  10.824  -8.714
  167   2HE   LYS  21           HE1      LYS  21  74.724  11.212  -8.159
  168   1HZ   LYS  21           HZ1      LYS  21  74.141   9.254 -10.312
  169   2HZ   LYS  21           HZ3      LYS  21  74.523  10.879 -10.613
  170   3HZ   LYS  21           HZ2      LYS  21  75.659   9.866  -9.859
  171    H    ALA  22           HN       ALA  22  71.427   6.144 -10.114
  172    HA   ALA  22           HA       ALA  22  69.455   8.057 -10.642
  173   1HB   ALA  22           HB2      ALA  22  69.929   5.340 -11.911
  174   2HB   ALA  22           HB1      ALA  22  69.036   6.660 -12.667
  175   3HB   ALA  22           HB3      ALA  22  70.757   6.840 -12.329
  176    H    ALA  23           HN       ALA  23  68.738   4.547 -10.469
  177    HA   ALA  23           HA       ALA  23  65.938   4.732 -10.315
  178   1HB   ALA  23           HB1      ALA  23  67.872   2.779  -9.027
  179   2HB   ALA  23           HB3      ALA  23  66.149   2.477  -9.246
  180   3HB   ALA  23           HB2      ALA  23  67.197   2.660 -10.652
  181    H    PHE  24           HN       PHE  24  68.287   4.684  -7.614
  182    HA   PHE  24           HA       PHE  24  66.615   4.694  -5.402
  183   1HB   PHE  24           HB2      PHE  24  68.994   4.736  -5.164
  184   2HB   PHE  24           HB1      PHE  24  69.126   6.251  -6.057
  185    HD1  PHE  24           HD1      PHE  24  68.173   8.368  -5.053
  186    HD2  PHE  24           HD2      PHE  24  68.568   4.719  -2.820
  187    HE1  PHE  24           HE1      PHE  24  67.942   9.639  -2.936
  188    HE2  PHE  24           HE2      PHE  24  68.339   5.990  -0.702
  189    HZ   PHE  24           HZ       PHE  24  68.026   8.451  -0.761
  190    H    ASP  25           HN       ASP  25  67.510   7.551  -7.365
  191    HA   ASP  25           HA       ASP  25  65.871   9.404  -5.866
  192   1HB   ASP  25           HB2      ASP  25  67.538   9.314  -8.311
  193   2HB   ASP  25           HB1      ASP  25  66.276  10.547  -8.311
  194    H    ILE  26           HN       ILE  26  65.009   6.937  -8.042
  195    HA   ILE  26           HA       ILE  26  62.738   8.361  -9.261
  196    HB   ILE  26           HB       ILE  26  63.741   5.505  -9.285
  197   1HG1  ILE  26          HG12      ILE  26  63.967   7.910 -11.091
  198   2HG1  ILE  26          HG11      ILE  26  65.244   6.838 -10.517
  199   1HG2  ILE  26          HG21      ILE  26  61.248   5.708  -9.591
  200   2HG2  ILE  26          HG23      ILE  26  61.558   6.740 -10.987
  201   3HG2  ILE  26          HG22      ILE  26  62.091   5.058 -10.997
  202   1HD1  ILE  26          HD12      ILE  26  63.635   5.088 -11.882
  203   2HD1  ILE  26          HD11      ILE  26  63.455   6.555 -12.842
  204   3HD1  ILE  26          HD13      ILE  26  65.058   5.874 -12.567
  205    H    PHE  27           HN       PHE  27  63.316   6.220  -6.524
  206    HA   PHE  27           HA       PHE  27  60.509   5.518  -6.139
  207   1HB   PHE  27           HB2      PHE  27  62.792   5.424  -4.152
  208   2HB   PHE  27           HB1      PHE  27  61.374   4.375  -4.216
  209    HD1  PHE  27           HD2      PHE  27  61.052   3.084  -6.523
  210    HD2  PHE  27           HD1      PHE  27  64.781   4.659  -5.090
  211    HE1  PHE  27           HE2      PHE  27  62.282   1.522  -8.007
  212    HE2  PHE  27           HE1      PHE  27  66.012   3.101  -6.577
  213    HZ   PHE  27           HZ       PHE  27  64.762   1.533  -8.035
  214    H    VAL  28           HN       VAL  28  62.514   8.220  -5.361
  215    HA   VAL  28           HA       VAL  28  60.898   9.129  -3.078
  216    HB   VAL  28           HB       VAL  28  62.474  11.080  -3.297
  217   1HG1  VAL  28          HG13      VAL  28  62.955   8.540  -2.382
  218   2HG1  VAL  28          HG12      VAL  28  64.297   8.775  -3.502
  219   3HG1  VAL  28          HG11      VAL  28  64.054   9.902  -2.167
  220   1HG2  VAL  28          HG23      VAL  28  62.618  10.597  -5.881
  221   2HG2  VAL  28          HG22      VAL  28  64.032  11.222  -5.032
  222   3HG2  VAL  28          HG21      VAL  28  63.917   9.502  -5.407
  223    H    LEU  29           HN       LEU  29  60.445   9.095  -6.390
  224    HA   LEU  29           HA       LEU  29  59.628  11.623  -7.217
  225   1HB   LEU  29           HB2      LEU  29  59.007   8.813  -7.787
  226   2HB   LEU  29           HB1      LEU  29  57.675   9.899  -8.184
  227    HG   LEU  29           HG       LEU  29  59.366   9.536 -10.048
  228   1HD1  LEU  29          HD13      LEU  29  57.910  11.748  -9.340
  229   2HD1  LEU  29          HD12      LEU  29  59.536  12.422  -9.459
  230   3HD1  LEU  29          HD11      LEU  29  58.820  11.596 -10.843
  231   1HD2  LEU  29          HD22      LEU  29  61.292   9.686  -8.293
  232   2HD2  LEU  29          HD21      LEU  29  61.537  10.433  -9.871
  233   3HD2  LEU  29          HD23      LEU  29  61.112  11.430  -8.481
  234    H    GLY  30           HN       GLY  30  58.714  12.851  -5.487
  235   1HA   GLY  30           HA2      GLY  30  56.233  13.494  -5.091
  236   2HA   GLY  30           HA1      GLY  30  56.105  11.866  -4.421
  237    H    ALA  31           HN       ALA  31  58.665  11.803  -3.130
  238    HA   ALA  31           HA       ALA  31  58.149  12.724  -0.562
  239   1HB   ALA  31           HB2      ALA  31  60.015  11.255  -1.284
  240   2HB   ALA  31           HB1      ALA  31  60.812  12.644  -2.023
  241   3HB   ALA  31           HB3      ALA  31  60.600  12.577  -0.273
  242    H    GLU  32           HN       GLU  32  59.290  14.582   0.604
  243    HA   GLU  32           HA       GLU  32  58.899  17.083  -0.958
  244   1HB   GLU  32           HB2      GLU  32  59.149  16.350   1.968
  245   2HB   GLU  32           HB1      GLU  32  59.100  18.027   1.424
  246   1HG   GLU  32           HG2      GLU  32  56.997  16.542   0.133
  247   2HG   GLU  32           HG1      GLU  32  56.899  16.304   1.879
  248    H    ASP  33           HN       ASP  33  61.416  15.166   0.540
  249    HA   ASP  33           HA       ASP  33  63.398  17.345  -0.029
  250   1HB   ASP  33           HB2      ASP  33  64.662  16.444   1.799
  251   2HB   ASP  33           HB1      ASP  33  62.986  16.484   2.347
  252    H    GLY  34           HN       GLY  34  62.409  14.106  -0.788
  253   1HA   GLY  34           HA2      GLY  34  63.252  13.126  -2.893
  254   2HA   GLY  34           HA1      GLY  34  64.829  13.823  -2.519
  255    H    CYS  35           HN       CYS  35  62.722  12.148  -0.232
  256    HA   CYS  35           HA       CYS  35  64.897  10.125   0.149
  257   1HB   CYS  35           HB2      CYS  35  62.917  11.548   1.858
  258   2HB   CYS  35           HB1      CYS  35  63.293   9.885   2.312
  259    HG   CYS  35           HG       CYS  35  65.778  10.541   2.611
  260    H    ILE  36           HN       ILE  36  64.198   7.879   0.491
  261    HA   ILE  36           HA       ILE  36  61.733   7.233  -1.064
  262    HB   ILE  36           HB       ILE  36  63.814   5.262  -0.137
  263   1HG1  ILE  36          HG12      ILE  36  64.112   7.019  -2.593
  264   2HG1  ILE  36          HG11      ILE  36  64.996   7.288  -1.092
  265   1HG2  ILE  36          HG22      ILE  36  61.943   5.569  -2.487
  266   2HG2  ILE  36          HG21      ILE  36  63.287   4.428  -2.523
  267   3HG2  ILE  36          HG23      ILE  36  62.019   4.256  -1.310
  268   1HD1  ILE  36          HD13      ILE  36  65.056   4.565  -2.343
  269   2HD1  ILE  36          HD12      ILE  36  66.078   5.838  -3.009
  270   3HD1  ILE  36          HD11      ILE  36  66.261   5.350  -1.324
  271    H    SER  37           HN       SER  37  60.157   7.520   0.629
  272    HA   SER  37           HA       SER  37  60.398   6.418   3.271
  273   1HB   SER  37           HB2      SER  37  57.723   6.583   2.805
  274   2HB   SER  37           HB1      SER  37  58.727   7.983   3.168
  275    HG   SER  37           HG       SER  37  57.365   7.443   0.948
  276    H    THR  38           HN       THR  38  59.548   4.450   4.112
  277    HA   THR  38           HA       THR  38  59.773   2.099   2.580
  278    HB   THR  38           HB       THR  38  59.823   1.990   4.955
  279    HG1  THR  38           HG1      THR  38  57.223   1.045   4.566
  280   1HG2  THR  38          HG21      THR  38  57.267   3.551   4.738
  281   2HG2  THR  38          HG23      THR  38  57.612   2.623   6.197
  282   3HG2  THR  38          HG22      THR  38  58.708   3.907   5.689
  283    H    LYS  39           HN       LYS  39  56.996   4.235   3.021
  284    HA   LYS  39           HA       LYS  39  54.883   2.586   2.141
  285   1HB   LYS  39           HB2      LYS  39  55.542   5.427   2.383
  286   2HB   LYS  39           HB1      LYS  39  54.434   5.115   1.045
  287   1HG   LYS  39           HG2      LYS  39  53.203   3.595   2.816
  288   2HG   LYS  39           HG1      LYS  39  54.046   4.619   3.977
  289   1HD   LYS  39           HD2      LYS  39  52.651   6.346   3.586
  290   2HD   LYS  39           HD1      LYS  39  52.864   6.199   1.842
  291   1HE   LYS  39           HE2      LYS  39  51.264   4.001   2.922
  292   2HE   LYS  39           HE1      LYS  39  50.527   5.586   3.230
  293   1HZ   LYS  39           HZ1      LYS  39  51.748   5.107   0.611
  294   2HZ   LYS  39           HZ3      LYS  39  50.239   4.397   0.919
  295   3HZ   LYS  39           HZ2      LYS  39  50.419   6.083   1.022
  296    H    GLU  40           HN       GLU  40  57.328   4.351   0.268
  297    HA   GLU  40           HA       GLU  40  56.215   3.195  -2.256
  298   1HB   GLU  40           HB2      GLU  40  57.412   5.699  -1.413
  299   2HB   GLU  40           HB1      GLU  40  58.314   5.015  -2.765
  300   1HG   GLU  40           HG2      GLU  40  56.549   5.208  -4.222
  301   2HG   GLU  40           HG1      GLU  40  55.344   4.950  -2.961
  302    H    LEU  41           HN       LEU  41  57.630   1.426  -0.534
  303    HA   LEU  41           HA       LEU  41  60.278   1.142  -1.916
  304   1HB   LEU  41           HB2      LEU  41  59.378   1.058   0.829
  305   2HB   LEU  41           HB1      LEU  41  60.118  -0.484   0.397
  306    HG   LEU  41           HG       LEU  41  61.352   2.270   0.130
  307   1HD1  LEU  41          HD13      LEU  41  61.456   0.122   2.096
  308   2HD1  LEU  41          HD12      LEU  41  63.058   0.496   1.459
  309   3HD1  LEU  41          HD11      LEU  41  62.087   1.766   2.205
  310   1HD2  LEU  41          HD22      LEU  41  61.872  -0.242  -1.292
  311   2HD2  LEU  41          HD21      LEU  41  62.454   1.385  -1.644
  312   3HD2  LEU  41          HD23      LEU  41  63.296   0.383  -0.462
  313    H    GLY  42           HN       GLY  42  57.546  -0.752  -0.574
  314   1HA   GLY  42           HA2      GLY  42  58.204  -3.307  -1.422
  315   2HA   GLY  42           HA1      GLY  42  56.544  -2.705  -1.446
  316    H    LYS  43           HN       LYS  43  56.675  -0.761  -3.414
  317    HA   LYS  43           HA       LYS  43  56.548  -2.310  -5.830
  318   1HB   LYS  43           HB2      LYS  43  55.994  -0.198  -6.816
  319   2HB   LYS  43           HB1      LYS  43  55.380  -0.123  -5.165
  320   1HG   LYS  43           HG2      LYS  43  57.457   1.050  -4.466
  321   2HG   LYS  43           HG1      LYS  43  58.010   1.028  -6.141
  322   1HD   LYS  43           HD2      LYS  43  55.435   2.067  -6.316
  323   2HD   LYS  43           HD1      LYS  43  56.086   2.806  -4.852
  324   1HE   LYS  43           HE2      LYS  43  57.841   3.859  -6.006
  325   2HE   LYS  43           HE1      LYS  43  57.747   2.728  -7.371
  326   1HZ   LYS  43           HZ2      LYS  43  55.272   3.681  -7.364
  327   2HZ   LYS  43           HZ1      LYS  43  56.092   5.047  -6.772
  328   3HZ   LYS  43           HZ3      LYS  43  56.524   4.384  -8.273
  329    H    VAL  44           HN       VAL  44  59.143  -0.665  -4.208
  330    HA   VAL  44           HA       VAL  44  60.880  -0.460  -6.567
  331    HB   VAL  44           HB       VAL  44  61.421  -0.201  -3.591
  332   1HG1  VAL  44          HG12      VAL  44  63.013   0.271  -6.066
  333   2HG1  VAL  44          HG11      VAL  44  63.171   1.461  -4.774
  334   3HG1  VAL  44          HG13      VAL  44  63.550  -0.233  -4.463
  335   1HG2  VAL  44          HG23      VAL  44  60.269   1.633  -5.656
  336   2HG2  VAL  44          HG22      VAL  44  59.855   1.467  -3.951
  337   3HG2  VAL  44          HG21      VAL  44  61.323   2.325  -4.422
  338    H    MET  45           HN       MET  45  60.795  -2.440  -3.590
  339    HA   MET  45           HA       MET  45  63.063  -4.053  -4.086
  340   1HB   MET  45           HB2      MET  45  60.423  -4.861  -2.821
  341   2HB   MET  45           HB1      MET  45  62.004  -5.564  -2.489
  342   1HG   MET  45           HG2      MET  45  61.022  -2.791  -1.792
  343   2HG   MET  45           HG1      MET  45  61.595  -4.045  -0.697
  344   1HE   MET  45           HE3      MET  45  63.696  -5.290  -1.379
  345   2HE   MET  45           HE2      MET  45  64.354  -4.837  -2.949
  346   3HE   MET  45           HE1      MET  45  65.251  -4.454  -1.482
  347    H    ARG  46           HN       ARG  46  59.750  -4.315  -5.314
  348    HA   ARG  46           HA       ARG  46  59.873  -6.916  -6.445
  349   1HB   ARG  46           HB2      ARG  46  58.357  -4.376  -6.857
  350   2HB   ARG  46           HB1      ARG  46  58.222  -5.606  -8.114
  351   1HG   ARG  46           HG2      ARG  46  57.527  -7.268  -6.455
  352   2HG   ARG  46           HG1      ARG  46  57.729  -6.088  -5.161
  353   1HD   ARG  46           HD2      ARG  46  55.807  -4.929  -5.734
  354   2HD   ARG  46           HD1      ARG  46  55.938  -5.356  -7.451
  355    HE   ARG  46           HE       ARG  46  55.479  -7.789  -6.494
  356   1HH1  ARG  46          HH21      ARG  46  54.754  -6.216  -3.877
  357   2HH1  ARG  46          HH22      ARG  46  53.025  -6.276  -3.977
  358   1HH2  ARG  46          HH11      ARG  46  52.982  -7.254  -7.303
  359   2HH2  ARG  46          HH12      ARG  46  52.023  -6.865  -5.915
  360    H    MET  47           HN       MET  47  60.601  -3.750  -7.980
  361    HA   MET  47           HA       MET  47  61.655  -5.083 -10.378
  362   1HB   MET  47           HB2      MET  47  61.722  -2.882 -11.250
  363   2HB   MET  47           HB1      MET  47  60.343  -2.860 -10.154
  364   1HG   MET  47           HG2      MET  47  61.455  -0.929  -9.495
  365   2HG   MET  47           HG1      MET  47  62.151  -2.105  -8.383
  366   1HE   MET  47           HE2      MET  47  62.467   0.337 -11.043
  367   2HE   MET  47           HE1      MET  47  63.402   0.858  -9.644
  368   3HE   MET  47           HE3      MET  47  64.204   0.591 -11.198
  369    H    LEU  48           HN       LEU  48  62.950  -3.494  -7.482
  370    HA   LEU  48           HA       LEU  48  65.647  -3.131  -8.240
  371   1HB   LEU  48           HB2      LEU  48  64.041  -3.543  -5.785
  372   2HB   LEU  48           HB1      LEU  48  65.761  -3.883  -5.615
  373    HG   LEU  48           HG       LEU  48  64.886  -1.453  -5.195
  374   1HD1  LEU  48          HD13      LEU  48  67.284  -2.271  -5.372
  375   2HD1  LEU  48          HD12      LEU  48  67.230  -1.820  -7.076
  376   3HD1  LEU  48          HD11      LEU  48  67.033  -0.587  -5.831
  377   1HD2  LEU  48          HD23      LEU  48  63.748  -1.562  -7.552
  378   2HD2  LEU  48          HD22      LEU  48  64.553  -0.074  -7.058
  379   3HD2  LEU  48          HD21      LEU  48  65.364  -1.191  -8.154
  380    H    GLY  49           HN       GLY  49  63.860  -6.057  -7.785
  381   1HA   GLY  49           HA2      GLY  49  64.907  -8.119  -8.723
  382   2HA   GLY  49           HA1      GLY  49  66.409  -7.616  -7.943
  383    H    GLN  50           HN       GLN  50  63.502  -7.055  -6.182
  384    HA   GLN  50           HA       GLN  50  63.983  -9.518  -4.538
  385   1HB   GLN  50           HB2      GLN  50  63.309  -6.765  -3.467
  386   2HB   GLN  50           HB1      GLN  50  63.902  -8.159  -2.564
  387   1HG   GLN  50           HG2      GLN  50  65.493  -6.814  -4.762
  388   2HG   GLN  50           HG1      GLN  50  65.651  -6.391  -3.057
  389   1HE2  GLN  50          HE22      GLN  50  68.228  -8.968  -3.656
  390   2HE2  GLN  50          HE21      GLN  50  67.957  -7.353  -4.105
  391    H    ASN  51           HN       ASN  51  62.047 -10.021  -3.137
  392    HA   ASN  51           HA       ASN  51  59.484  -8.943  -4.245
  393   1HB   ASN  51           HB2      ASN  51  60.358 -11.183  -5.215
  394   2HB   ASN  51           HB1      ASN  51  59.957 -11.864  -3.637
  395   1HD2  ASN  51          HD22      ASN  51  57.011 -11.265  -6.295
  396   2HD2  ASN  51          HD21      ASN  51  58.657 -11.162  -6.699
  397    HA   PRO  52           HA       PRO  52  59.739  -9.456   0.434
  398   1HB   PRO  52           HB2      PRO  52  59.822  -6.807   1.112
  399   2HB   PRO  52           HB1      PRO  52  61.281  -7.778   0.829
  400   1HG   PRO  52           HG2      PRO  52  59.938  -5.817  -0.955
  401   2HG   PRO  52           HG1      PRO  52  61.662  -6.151  -0.733
  402   1HD   PRO  52           HD2      PRO  52  60.180  -7.064  -2.853
  403   2HD   PRO  52           HD1      PRO  52  61.662  -7.844  -2.260
  404    H    THR  53           HN       THR  53  58.202  -7.876   1.975
  405    HA   THR  53           HA       THR  53  55.621  -7.526   0.482
  406    HB   THR  53           HB       THR  53  54.518  -8.680   2.254
  407    HG1  THR  53           HG1      THR  53  55.757  -9.231   4.164
  408   1HG2  THR  53          HG23      THR  53  57.209 -10.006   1.833
  409   2HG2  THR  53          HG22      THR  53  55.776 -10.806   2.480
  410   3HG2  THR  53          HG21      THR  53  55.781 -10.209   0.820
  411    HA   PRO  54           HA       PRO  54  55.306  -3.615   2.456
  412   1HB   PRO  54           HB2      PRO  54  52.682  -3.499   3.237
  413   2HB   PRO  54           HB1      PRO  54  53.194  -3.363   1.543
  414   1HG   PRO  54           HG2      PRO  54  52.100  -5.717   3.005
  415   2HG   PRO  54           HG1      PRO  54  51.774  -5.163   1.355
  416   1HD   PRO  54           HD2      PRO  54  53.447  -7.223   1.917
  417   2HD   PRO  54           HD1      PRO  54  53.656  -6.167   0.503
  418    H    GLU  55           HN       GLU  55  54.447  -6.474   4.226
  419    HA   GLU  55           HA       GLU  55  54.243  -5.165   6.844
  420   1HB   GLU  55           HB2      GLU  55  53.592  -7.634   5.631
  421   2HB   GLU  55           HB1      GLU  55  54.786  -8.014   6.872
  422   1HG   GLU  55           HG2      GLU  55  52.971  -6.094   7.959
  423   2HG   GLU  55           HG1      GLU  55  52.021  -7.386   7.224
  424    H    GLU  56           HN       GLU  56  56.632  -7.181   5.119
  425    HA   GLU  56           HA       GLU  56  58.614  -7.112   7.234
  426   1HB   GLU  56           HB2      GLU  56  58.376  -7.947   4.375
  427   2HB   GLU  56           HB1      GLU  56  60.004  -7.728   5.017
  428   1HG   GLU  56           HG2      GLU  56  58.106  -9.250   6.726
  429   2HG   GLU  56           HG1      GLU  56  58.649 -10.049   5.252
  430    H    LEU  57           HN       LEU  57  57.786  -5.028   4.538
  431    HA   LEU  57           HA       LEU  57  60.157  -3.581   4.113
  432   1HB   LEU  57           HB2      LEU  57  57.477  -3.485   3.393
  433   2HB   LEU  57           HB1      LEU  57  57.723  -1.952   4.231
  434    HG   LEU  57           HG       LEU  57  60.001  -2.252   2.633
  435   1HD1  LEU  57          HD12      LEU  57  57.486  -3.161   1.219
  436   2HD1  LEU  57          HD11      LEU  57  58.871  -2.497   0.354
  437   3HD1  LEU  57          HD13      LEU  57  59.045  -3.982   1.288
  438   1HD2  LEU  57          HD21      LEU  57  57.699  -0.503   2.929
  439   2HD2  LEU  57          HD23      LEU  57  59.354  -0.095   2.482
  440   3HD2  LEU  57          HD22      LEU  57  58.205  -0.602   1.243
  441    H    GLN  58           HN       GLN  58  57.543  -2.753   6.431
  442    HA   GLN  58           HA       GLN  58  58.857  -0.542   7.651
  443   1HB   GLN  58           HB2      GLN  58  56.421  -1.467   7.757
  444   2HB   GLN  58           HB1      GLN  58  57.021  -2.450   9.094
  445   1HG   GLN  58           HG2      GLN  58  57.059   0.574   8.899
  446   2HG   GLN  58           HG1      GLN  58  56.113  -0.405  10.020
  447   1HE2  GLN  58          HE22      GLN  58  59.887   0.585  10.992
  448   2HE2  GLN  58          HE21      GLN  58  59.081   1.252   9.657
  449    H    GLU  59           HN       GLU  59  58.916  -4.016   8.464
  450    HA   GLU  59           HA       GLU  59  60.511  -3.684  10.862
  451   1HB   GLU  59           HB2      GLU  59  59.434  -5.843   9.136
  452   2HB   GLU  59           HB1      GLU  59  60.866  -6.267  10.076
  453   1HG   GLU  59           HG2      GLU  59  59.782  -6.038  12.095
  454   2HG   GLU  59           HG1      GLU  59  58.694  -4.790  11.489
  455    H    MET  60           HN       MET  60  61.253  -4.318   7.448
  456    HA   MET  60           HA       MET  60  64.043  -4.949   7.836
  457   1HB   MET  60           HB2      MET  60  62.183  -4.228   5.614
  458   2HB   MET  60           HB1      MET  60  63.914  -4.096   5.296
  459   1HG   MET  60           HG2      MET  60  62.705  -6.572   6.535
  460   2HG   MET  60           HG1      MET  60  62.825  -6.367   4.788
  461   1HE   MET  60           HE1      MET  60  63.865  -7.599   7.668
  462   2HE   MET  60           HE3      MET  60  65.326  -8.495   7.229
  463   3HE   MET  60           HE2      MET  60  65.452  -6.980   8.119
  464    H    ILE  61           HN       ILE  61  62.258  -1.926   7.379
  465    HA   ILE  61           HA       ILE  61  64.728  -0.345   7.078
  466    HB   ILE  61           HB       ILE  61  61.756   0.181   7.169
  467   1HG1  ILE  61          HG12      ILE  61  63.482   1.193   4.993
  468   2HG1  ILE  61          HG11      ILE  61  63.435  -0.565   5.139
  469   1HG2  ILE  61          HG21      ILE  61  63.997   2.224   7.076
  470   2HG2  ILE  61          HG23      ILE  61  62.303   2.579   6.743
  471   3HG2  ILE  61          HG22      ILE  61  62.793   2.051   8.352
  472   1HD1  ILE  61          HD11      ILE  61  60.773   0.246   5.467
  473   2HD1  ILE  61          HD13      ILE  61  61.389   1.247   4.152
  474   3HD1  ILE  61          HD12      ILE  61  61.472  -0.511   4.034
  475    H    ASP  62           HN       ASP  62  62.998  -1.665   9.666
  476    HA   ASP  62           HA       ASP  62  63.504   0.560  11.548
  477   1HB   ASP  62           HB2      ASP  62  61.816  -1.765  11.310
  478   2HB   ASP  62           HB1      ASP  62  62.683  -1.831  12.846
  479    H    GLU  63           HN       GLU  63  65.601  -1.377  10.149
  480    HA   GLU  63           HA       GLU  63  67.036  -2.134  12.675
  481   1HB   GLU  63           HB2      GLU  63  67.384  -3.258   9.882
  482   2HB   GLU  63           HB1      GLU  63  67.970  -3.950  11.394
  483   1HG   GLU  63           HG2      GLU  63  65.300  -3.733  11.927
  484   2HG   GLU  63           HG1      GLU  63  65.271  -4.060  10.193
  485    H    VAL  64           HN       VAL  64  67.154  -0.247   9.760
  486    HA   VAL  64           HA       VAL  64  69.993   0.495  10.394
  487    HB   VAL  64           HB       VAL  64  69.663  -0.925   8.349
  488   1HG1  VAL  64          HG11      VAL  64  67.527   0.959   7.950
  489   2HG1  VAL  64          HG13      VAL  64  68.640   1.053   6.585
  490   3HG1  VAL  64          HG12      VAL  64  67.903  -0.490   7.017
  491   1HG2  VAL  64          HG21      VAL  64  70.575   1.942   7.957
  492   2HG2  VAL  64          HG23      VAL  64  71.576   0.565   8.418
  493   3HG2  VAL  64          HG22      VAL  64  70.881   0.647   6.800
  494    H    ASP  65           HN       ASP  65  66.779   1.563  10.068
  495    HA   ASP  65           HA       ASP  65  67.152   4.199   8.988
  496   1HB   ASP  65           HB2      ASP  65  64.970   3.201   9.128
  497   2HB   ASP  65           HB1      ASP  65  65.142   2.924  10.862
  498    H    GLU  66           HN       GLU  66  69.305   4.469  10.317
  499    HA   GLU  66           HA       GLU  66  69.364   4.920  13.106
  500   1HB   GLU  66           HB2      GLU  66  71.377   6.210  12.572
  501   2HB   GLU  66           HB1      GLU  66  71.288   4.806  11.508
  502   1HG   GLU  66           HG2      GLU  66  70.105   6.332   9.829
  503   2HG   GLU  66           HG1      GLU  66  70.614   7.678  10.850
  504    H    ASP  67           HN       ASP  67  68.165   6.960  10.495
  505    HA   ASP  67           HA       ASP  67  67.982   9.393  12.076
  506   1HB   ASP  67           HB2      ASP  67  66.502   8.571   9.559
  507   2HB   ASP  67           HB1      ASP  67  66.836  10.217  10.101
  508    H    GLY  68           HN       GLY  68  66.237   6.502  12.134
  509   1HA   GLY  68           HA2      GLY  68  64.104   5.919  12.944
  510   2HA   GLY  68           HA1      GLY  68  64.390   7.231  14.088
  511    H    SER  69           HN       SER  69  64.221   7.799  10.632
  512    HA   SER  69           HA       SER  69  61.844   9.530  11.086
  513   1HB   SER  69           HB2      SER  69  62.554  10.120   8.620
  514   2HB   SER  69           HB1      SER  69  63.552  10.673   9.962
  515    HG   SER  69           HG       SER  69  64.120   8.914   7.972
  516    H    GLY  70           HN       GLY  70  62.693   6.465   9.742
  517   1HA   GLY  70           HA2      GLY  70  61.093   4.830   9.019
  518   2HA   GLY  70           HA1      GLY  70  59.912   6.121   8.796
  519    H    THR  71           HN       THR  71  62.322   7.573   7.392
  520    HA   THR  71           HA       THR  71  61.659   6.497   4.697
  521    HB   THR  71           HB       THR  71  62.783   8.695   4.041
  522    HG1  THR  71           HG1      THR  71  63.810   9.671   5.566
  523   1HG2  THR  71          HG22      THR  71  60.395   8.631   5.895
  524   2HG2  THR  71          HG21      THR  71  60.889  10.086   5.031
  525   3HG2  THR  71          HG23      THR  71  60.395   8.651   4.132
  526    H    VAL  72           HN       VAL  72  63.371   5.978   3.192
  527    HA   VAL  72           HA       VAL  72  65.933   5.209   4.530
  528    HB   VAL  72           HB       VAL  72  64.958   4.299   1.822
  529   1HG1  VAL  72          HG13      VAL  72  67.247   3.726   2.592
  530   2HG1  VAL  72          HG12      VAL  72  66.555   2.947   4.015
  531   3HG1  VAL  72          HG11      VAL  72  66.234   2.295   2.407
  532   1HG2  VAL  72          HG22      VAL  72  63.094   4.021   3.473
  533   2HG2  VAL  72          HG21      VAL  72  63.730   2.481   2.893
  534   3HG2  VAL  72          HG23      VAL  72  64.183   3.076   4.491
  535    H    ASP  73           HN       ASP  73  67.493   6.754   4.186
  536    HA   ASP  73           HA       ASP  73  67.440   8.438   1.760
  537   1HB   ASP  73           HB2      ASP  73  67.985   9.019   4.271
  538   2HB   ASP  73           HB1      ASP  73  69.590   8.412   3.864
  539    H    PHE  74           HN       PHE  74  69.684   8.746   0.666
  540    HA   PHE  74           HA       PHE  74  70.513   6.451  -0.691
  541   1HB   PHE  74           HB2      PHE  74  71.053   9.045  -0.861
  542   2HB   PHE  74           HB1      PHE  74  72.502   8.578   0.031
  543    HD1  PHE  74           HD1      PHE  74  73.617   6.297  -0.898
  544    HD2  PHE  74           HD2      PHE  74  71.194   9.008  -3.182
  545    HE1  PHE  74           HE1      PHE  74  74.633   5.440  -2.992
  546    HE2  PHE  74           HE2      PHE  74  72.209   8.152  -5.276
  547    HZ   PHE  74           HZ       PHE  74  73.928   6.369  -5.181
  548    H    ASP  75           HN       ASP  75  72.058   7.875   2.217
  549    HA   ASP  75           HA       ASP  75  74.088   5.895   2.528
  550   1HB   ASP  75           HB2      ASP  75  74.356   6.904   4.683
  551   2HB   ASP  75           HB1      ASP  75  73.780   8.191   3.623
  552    H    GLU  76           HN       GLU  76  70.716   5.995   3.635
  553    HA   GLU  76           HA       GLU  76  70.958   3.554   5.236
  554   1HB   GLU  76           HB2      GLU  76  68.797   5.448   4.346
  555   2HB   GLU  76           HB1      GLU  76  68.354   3.912   5.091
  556   1HG   GLU  76           HG2      GLU  76  69.733   4.455   7.057
  557   2HG   GLU  76           HG1      GLU  76  70.203   5.983   6.312
  558    H    PHE  77           HN       PHE  77  69.162   4.388   2.241
  559    HA   PHE  77           HA       PHE  77  68.134   1.947   1.480
  560   1HB   PHE  77           HB2      PHE  77  68.010   4.127   0.258
  561   2HB   PHE  77           HB1      PHE  77  69.662   3.873  -0.302
  562    HD1  PHE  77           HD2      PHE  77  66.459   1.917  -0.087
  563    HD2  PHE  77           HD1      PHE  77  69.902   2.969  -2.430
  564    HE1  PHE  77           HE2      PHE  77  65.614   0.523  -1.956
  565    HE2  PHE  77           HE1      PHE  77  69.056   1.575  -4.299
  566    HZ   PHE  77           HZ       PHE  77  66.912   0.352  -4.061
  567    H    LEU  78           HN       LEU  78  71.542   2.912   1.364
  568    HA   LEU  78           HA       LEU  78  72.460   0.630  -0.162
  569   1HB   LEU  78           HB2      LEU  78  73.650   2.773   1.579
  570   2HB   LEU  78           HB1      LEU  78  74.664   1.435   1.036
  571    HG   LEU  78           HG       LEU  78  72.993   3.144  -0.826
  572   1HD1  LEU  78          HD13      LEU  78  75.442   3.774   0.506
  573   2HD1  LEU  78          HD12      LEU  78  75.808   3.487  -1.195
  574   3HD1  LEU  78          HD11      LEU  78  74.613   4.703  -0.743
  575   1HD2  LEU  78          HD22      LEU  78  74.234   0.636  -1.141
  576   2HD2  LEU  78          HD21      LEU  78  73.616   1.677  -2.424
  577   3HD2  LEU  78          HD23      LEU  78  75.307   1.788  -1.935
  578    H    VAL  79           HN       VAL  79  73.088   1.380   3.297
  579    HA   VAL  79           HA       VAL  79  73.977  -1.137   4.124
  580    HB   VAL  79           HB       VAL  79  72.216   0.906   5.516
  581   1HG1  VAL  79          HG11      VAL  79  73.503  -1.623   6.459
  582   2HG1  VAL  79          HG13      VAL  79  73.516  -0.233   7.545
  583   3HG1  VAL  79          HG12      VAL  79  71.984  -0.882   6.964
  584   1HG2  VAL  79          HG22      VAL  79  75.213   0.419   5.533
  585   2HG2  VAL  79          HG21      VAL  79  74.392   1.750   4.719
  586   3HG2  VAL  79          HG23      VAL  79  74.373   1.649   6.479
  587    H    MET  80           HN       MET  80  70.578  -0.002   4.432
  588    HA   MET  80           HA       MET  80  69.373  -2.401   5.204
  589   1HB   MET  80           HB2      MET  80  67.352  -1.430   4.164
  590   2HB   MET  80           HB1      MET  80  68.285  -0.178   4.984
  591   1HG   MET  80           HG2      MET  80  68.045   0.914   2.998
  592   2HG   MET  80           HG1      MET  80  69.425  -0.079   2.530
  593   1HE   MET  80           HE3      MET  80  65.941  -0.366   3.414
  594   2HE   MET  80           HE2      MET  80  65.213   0.072   1.870
  595   3HE   MET  80           HE1      MET  80  65.241  -1.615   2.376
  596    H    MET  81           HN       MET  81  70.631  -1.490   2.053
  597    HA   MET  81           HA       MET  81  69.366  -3.689   0.600
  598   1HB   MET  81           HB2      MET  81  71.073  -1.355   0.132
  599   2HB   MET  81           HB1      MET  81  71.545  -2.739  -0.855
  600   1HG   MET  81           HG2      MET  81  68.759  -1.559  -0.662
  601   2HG   MET  81           HG1      MET  81  69.860  -1.393  -2.030
  602   1HE   MET  81           HE1      MET  81  67.258  -2.230  -2.860
  603   2HE   MET  81           HE3      MET  81  66.710  -3.900  -2.662
  604   3HE   MET  81           HE2      MET  81  66.781  -2.821  -1.270
  605    H    VAL  82           HN       VAL  82  72.809  -2.947   1.287
  606    HA   VAL  82           HA       VAL  82  73.862  -5.497   0.644
  607    HB   VAL  82           HB       VAL  82  75.257  -3.552   0.937
  608   1HG1  VAL  82          HG12      VAL  82  73.889  -3.449   3.607
  609   2HG1  VAL  82          HG11      VAL  82  75.486  -2.728   3.423
  610   3HG1  VAL  82          HG13      VAL  82  74.142  -2.155   2.437
  611   1HG2  VAL  82          HG21      VAL  82  75.700  -5.973   2.412
  612   2HG2  VAL  82          HG23      VAL  82  76.897  -4.899   1.689
  613   3HG2  VAL  82          HG22      VAL  82  76.346  -4.621   3.342
  614    H    ARG  83           HN       ARG  83  71.998  -4.473   3.384
  615    HA   ARG  83           HA       ARG  83  72.889  -6.477   5.275
  616   1HB   ARG  83           HB2      ARG  83  70.626  -4.541   4.941
  617   2HB   ARG  83           HB1      ARG  83  70.479  -5.793   6.174
  618   1HG   ARG  83           HG2      ARG  83  72.782  -5.080   6.997
  619   2HG   ARG  83           HG1      ARG  83  72.632  -3.681   5.933
  620   1HD   ARG  83           HD2      ARG  83  70.875  -2.756   7.176
  621   2HD   ARG  83           HD1      ARG  83  70.417  -4.323   7.874
  622    HE   ARG  83           HE       ARG  83  72.403  -2.552   8.969
  623   1HH1  ARG  83          HH11      ARG  83  71.435  -5.823   8.522
  624   2HH1  ARG  83          HH12      ARG  83  72.561  -6.456   9.676
  625   1HH2  ARG  83          HH21      ARG  83  73.994  -3.376  10.367
  626   2HH2  ARG  83          HH22      ARG  83  74.008  -5.072  10.722
  627    H    CYS  84           HN       CYS  84  69.926  -6.235   3.256
  628    HA   CYS  84           HA       CYS  84  69.091  -8.955   3.889
  629   1HB   CYS  84           HB2      CYS  84  67.760  -6.813   3.192
  630   2HB   CYS  84           HB1      CYS  84  68.157  -7.308   1.546
  631    HG   CYS  84           HG       CYS  84  66.976  -9.653   2.135
  632    H    MET  85           HN       MET  85  70.876  -7.401   1.259
  633    HA   MET  85           HA       MET  85  70.779  -9.306  -0.776
  634   1HB   MET  85           HB2      MET  85  72.851  -7.434   0.322
  635   2HB   MET  85           HB1      MET  85  73.314  -8.540  -0.973
  636   1HG   MET  85           HG2      MET  85  71.078  -7.673  -2.086
  637   2HG   MET  85           HG1      MET  85  71.333  -6.291  -1.020
  638   1HE   MET  85           HE2      MET  85  72.278  -4.608  -1.371
  639   2HE   MET  85           HE1      MET  85  73.790  -4.229  -2.193
  640   3HE   MET  85           HE3      MET  85  72.268  -4.243  -3.095
  641    H    LYS  86           HN       LYS  86  73.363  -9.235   1.712
  642    HA   LYS  86           HA       LYS  86  73.458 -12.232   1.546
  643   1HB   LYS  86           HB2      LYS  86  75.360 -11.371   0.392
  644   2HB   LYS  86           HB1      LYS  86  75.622 -10.121   1.607
  645   1HG   LYS  86           HG2      LYS  86  76.974 -11.501   2.755
  646   2HG   LYS  86           HG1      LYS  86  75.660 -12.666   2.918
  647   1HD   LYS  86           HD2      LYS  86  76.210 -13.626   0.725
  648   2HD   LYS  86           HD1      LYS  86  77.496 -12.436   0.515
  649   1HE   LYS  86           HE2      LYS  86  78.801 -14.105   1.414
  650   2HE   LYS  86           HE1      LYS  86  78.168 -13.488   2.953
  651   1HZ   LYS  86           HZ3      LYS  86  76.883 -15.592   1.292
  652   2HZ   LYS  86           HZ2      LYS  86  77.766 -15.878   2.714
  653   3HZ   LYS  86           HZ1      LYS  86  76.309 -15.008   2.777
  654    H    ASP  87           HN       ASP  87  72.060 -12.230   3.496
  655    HA   ASP  87           HA       ASP  87  73.013 -10.942   5.950
  656   1HB   ASP  87           HB2      ASP  87  70.629 -11.258   5.417
  657   2HB   ASP  87           HB1      ASP  87  70.860 -13.007   5.381
  658    H    ASP  88           HN       ASP  88  74.113 -11.958   7.644
  659    HA   ASP  88           HA       ASP  88  75.049 -14.758   7.119
  660   1HB   ASP  88           HB2      ASP  88  76.630 -12.716   7.160
  661   2HB   ASP  88           HB1      ASP  88  76.342 -12.687   8.901
  662    H    SER  89           HN       SER  89  74.628 -12.582   9.946
  663    HA   SER  89           HA       SER  89  74.403 -14.505  11.958
  664   1HB   SER  89           HB2      SER  89  72.487 -12.247  12.070
  665   2HB   SER  89           HB1      SER  89  73.766 -12.689  13.199
  666    HG   SER  89           HG       SER  89  74.788 -11.090  12.292
   
  No H/Q in entry =         666
  Start of MODEL   33
    1   1H    MET   1           HT2      MET   1  76.465   0.019  16.990
    2   2H    MET   1           HT1      MET   1  77.785   0.541  17.922
    3   3H    MET   1           HT3      MET   1  76.447   1.561  17.702
    4    HA   MET   1           HA       MET   1  77.182   2.322  15.736
    5   1HB   MET   1           HB2      MET   1  79.142   2.125  17.432
    6   2HB   MET   1           HB1      MET   1  79.709   0.809  16.403
    7   1HG   MET   1           HG2      MET   1  80.518   2.266  14.890
    8   2HG   MET   1           HG1      MET   1  78.959   3.085  14.784
    9   1HE   MET   1           HE3      MET   1  80.879   4.947  14.183
   10   2HE   MET   1           HE2      MET   1  79.328   5.543  14.768
   11   3HE   MET   1           HE1      MET   1  80.822   6.263  15.363
   12    H    ASP   2           HN       ASP   2  77.713  -1.140  16.149
   13    HA   ASP   2           HA       ASP   2  77.500  -2.894  14.571
   14   1HB   ASP   2           HB2      ASP   2  75.740  -0.951  13.847
   15   2HB   ASP   2           HB1      ASP   2  76.755  -1.005  12.405
   16    H    ASP   3           HN       ASP   3  78.401  -3.485  12.275
   17    HA   ASP   3           HA       ASP   3  80.431  -1.868  11.045
   18   1HB   ASP   3           HB2      ASP   3  82.404  -3.052  12.007
   19   2HB   ASP   3           HB1      ASP   3  81.499  -2.171  13.238
   20    H    ILE   4           HN       ILE   4  79.354  -5.151  11.868
   21    HA   ILE   4           HA       ILE   4  80.625  -6.610   9.798
   22    HB   ILE   4           HB       ILE   4  77.869  -6.943  11.031
   23   1HG1  ILE   4          HG12      ILE   4  80.627  -7.871  11.889
   24   2HG1  ILE   4          HG11      ILE   4  79.550  -6.786  12.769
   25   1HG2  ILE   4          HG23      ILE   4  78.321  -8.329   8.993
   26   2HG2  ILE   4          HG22      ILE   4  79.728  -9.006   9.813
   27   3HG2  ILE   4          HG21      ILE   4  78.110  -9.294  10.454
   28   1HD1  ILE   4          HD13      ILE   4  78.798  -9.631  12.060
   29   2HD1  ILE   4          HD12      ILE   4  79.557  -9.190  13.591
   30   3HD1  ILE   4          HD11      ILE   4  77.969  -8.545  13.177
   31    H    TYR   5           HN       TYR   5  77.357  -5.129   9.786
   32    HA   TYR   5           HA       TYR   5  76.873  -5.717   6.994
   33   1HB   TYR   5           HB2      TYR   5  75.653  -3.909   9.088
   34   2HB   TYR   5           HB1      TYR   5  75.013  -3.988   7.446
   35    HD1  TYR   5           HD2      TYR   5  74.335  -6.269   6.512
   36    HD2  TYR   5           HD1      TYR   5  75.117  -5.581  10.680
   37    HE1  TYR   5           HE2      TYR   5  73.104  -8.344   7.085
   38    HE2  TYR   5           HE1      TYR   5  73.886  -7.658  11.252
   39    HH   TYR   5           HH       TYR   5  73.312  -9.843  10.053
   40    H    LYS   6           HN       LYS   6  78.057  -2.852   8.754
   41    HA   LYS   6           HA       LYS   6  78.025  -0.892   6.773
   42   1HB   LYS   6           HB2      LYS   6  79.727  -1.635   9.090
   43   2HB   LYS   6           HB1      LYS   6  80.448  -0.493   7.955
   44   1HG   LYS   6           HG2      LYS   6  78.718   1.089   8.263
   45   2HG   LYS   6           HG1      LYS   6  77.641  -0.104   8.990
   46   1HD   LYS   6           HD2      LYS   6  78.638   1.439  10.680
   47   2HD   LYS   6           HD1      LYS   6  79.070  -0.247  10.965
   48   1HE   LYS   6           HE2      LYS   6  81.112   1.015  11.193
   49   2HE   LYS   6           HE1      LYS   6  81.204   0.229   9.605
   50   1HZ   LYS   6           HZ1      LYS   6  79.793   2.482   9.090
   51   2HZ   LYS   6           HZ3      LYS   6  80.912   3.025  10.244
   52   3HZ   LYS   6           HZ2      LYS   6  81.458   2.293   8.812
   53    H    ALA   7           HN       ALA   7  80.457  -3.477   7.208
   54    HA   ALA   7           HA       ALA   7  82.223  -2.764   5.109
   55   1HB   ALA   7           HB1      ALA   7  81.516  -5.114   6.741
   56   2HB   ALA   7           HB3      ALA   7  82.226  -5.522   5.177
   57   3HB   ALA   7           HB2      ALA   7  83.108  -4.491   6.304
   58    H    ALA   8           HN       ALA   8  79.310  -4.837   5.034
   59    HA   ALA   8           HA       ALA   8  79.395  -5.705   2.360
   60   1HB   ALA   8           HB1      ALA   8  77.769  -6.184   4.320
   61   2HB   ALA   8           HB3      ALA   8  76.888  -4.764   3.757
   62   3HB   ALA   8           HB2      ALA   8  77.089  -6.155   2.692
   63    H    VAL   9           HN       VAL   9  78.321  -2.585   3.678
   64    HA   VAL   9           HA       VAL   9  77.197  -1.525   1.262
   65    HB   VAL   9           HB       VAL   9  78.513  -0.221   3.667
   66   1HG1  VAL   9          HG13      VAL   9  78.143   1.141   1.461
   67   2HG1  VAL   9          HG12      VAL   9  76.438   1.063   1.907
   68   3HG1  VAL   9          HG11      VAL   9  77.598   1.828   2.992
   69   1HG2  VAL   9          HG23      VAL   9  76.305  -1.810   3.649
   70   2HG2  VAL   9          HG22      VAL   9  76.515  -0.457   4.762
   71   3HG2  VAL   9          HG21      VAL   9  75.569  -0.249   3.288
   72    H    GLU  10           HN       GLU  10  80.478  -1.337   2.659
   73    HA   GLU  10           HA       GLU  10  81.605   0.378   0.651
   74   1HB   GLU  10           HB2      GLU  10  82.865  -1.760   2.402
   75   2HB   GLU  10           HB1      GLU  10  83.725  -0.432   1.623
   76   1HG   GLU  10           HG2      GLU  10  81.472  -0.061   3.615
   77   2HG   GLU  10           HG1      GLU  10  83.185   0.018   4.028
   78    H    GLN  11           HN       GLN  11  80.869  -3.036   0.706
   79    HA   GLN  11           HA       GLN  11  82.688  -3.967  -1.296
   80   1HB   GLN  11           HB2      GLN  11  80.262  -4.813   0.115
   81   2HB   GLN  11           HB1      GLN  11  80.354  -5.460  -1.523
   82   1HG   GLN  11           HG2      GLN  11  81.552  -7.068  -0.338
   83   2HG   GLN  11           HG1      GLN  11  82.847  -5.990  -0.859
   84   1HE2  GLN  11          HE22      GLN  11  83.829  -5.443   2.469
   85   2HE2  GLN  11          HE21      GLN  11  84.276  -5.640   0.843
   86    H    LEU  12           HN       LEU  12  79.974  -1.868  -1.516
   87    HA   LEU  12           HA       LEU  12  79.139  -2.506  -4.221
   88   1HB   LEU  12           HB2      LEU  12  78.869   0.019  -2.552
   89   2HB   LEU  12           HB1      LEU  12  77.903  -0.386  -3.972
   90    HG   LEU  12           HG       LEU  12  78.038  -2.199  -1.559
   91   1HD1  LEU  12          HD11      LEU  12  76.536   0.326  -1.977
   92   2HD1  LEU  12          HD13      LEU  12  75.593  -1.036  -1.371
   93   3HD1  LEU  12          HD12      LEU  12  77.003  -0.471  -0.475
   94   1HD2  LEU  12          HD21      LEU  12  76.225  -1.901  -3.964
   95   2HD2  LEU  12          HD23      LEU  12  77.186  -3.305  -3.500
   96   3HD2  LEU  12          HD22      LEU  12  75.769  -2.854  -2.553
   97    H    THR  13           HN       THR  13  80.627  -2.286  -5.868
   98    HA   THR  13           HA       THR  13  82.911  -0.581  -5.857
   99    HB   THR  13           HB       THR  13  82.468  -0.976  -8.469
  100    HG1  THR  13           HG1      THR  13  81.065  -3.160  -7.483
  101   1HG2  THR  13          HG21      THR  13  83.581  -2.553  -6.289
  102   2HG2  THR  13          HG23      THR  13  83.015  -3.574  -7.610
  103   3HG2  THR  13          HG22      THR  13  84.201  -2.307  -7.922
  104    H    GLU  14           HN       GLU  14  83.177   1.220  -7.587
  105    HA   GLU  14           HA       GLU  14  81.299   3.346  -7.030
  106   1HB   GLU  14           HB2      GLU  14  82.798   4.628  -8.411
  107   2HB   GLU  14           HB1      GLU  14  83.793   3.468  -7.530
  108   1HG   GLU  14           HG2      GLU  14  83.688   1.941  -9.506
  109   2HG   GLU  14           HG1      GLU  14  82.811   3.194 -10.386
  110    H    GLU  15           HN       GLU  15  81.542   0.920  -9.530
  111    HA   GLU  15           HA       GLU  15  79.953   2.288 -11.531
  112   1HB   GLU  15           HB2      GLU  15  79.799  -0.089 -12.421
  113   2HB   GLU  15           HB1      GLU  15  81.441   0.483 -12.129
  114   1HG   GLU  15           HG2      GLU  15  81.800  -1.044 -10.494
  115   2HG   GLU  15           HG1      GLU  15  80.216  -0.764  -9.771
  116    H    GLN  16           HN       GLN  16  79.226   0.372  -8.684
  117    HA   GLN  16           HA       GLN  16  76.402  -0.033  -9.433
  118   1HB   GLN  16           HB2      GLN  16  77.689  -1.723  -8.189
  119   2HB   GLN  16           HB1      GLN  16  78.002  -0.555  -6.905
  120   1HG   GLN  16           HG2      GLN  16  76.153  -1.560  -5.985
  121   2HG   GLN  16           HG1      GLN  16  75.321  -0.373  -6.989
  122   1HE2  GLN  16          HE22      GLN  16  74.339  -4.093  -7.635
  123   2HE2  GLN  16          HE21      GLN  16  74.797  -3.387  -6.160
  124    H    LYS  17           HN       LYS  17  78.052   1.554  -6.663
  125    HA   LYS  17           HA       LYS  17  75.935   2.918  -5.511
  126   1HB   LYS  17           HB2      LYS  17  78.838   3.510  -5.986
  127   2HB   LYS  17           HB1      LYS  17  77.838   4.753  -5.234
  128   1HG   LYS  17           HG2      LYS  17  77.488   3.514  -3.322
  129   2HG   LYS  17           HG1      LYS  17  77.604   1.973  -4.174
  130   1HD   LYS  17           HD2      LYS  17  79.609   2.009  -2.970
  131   2HD   LYS  17           HD1      LYS  17  80.107   2.661  -4.532
  132   1HE   LYS  17           HE2      LYS  17  79.128   4.833  -2.926
  133   2HE   LYS  17           HE1      LYS  17  80.330   3.924  -1.989
  134   1HZ   LYS  17           HZ2      LYS  17  80.804   4.485  -4.841
  135   2HZ   LYS  17           HZ1      LYS  17  81.140   5.684  -3.685
  136   3HZ   LYS  17           HZ3      LYS  17  81.932   4.187  -3.606
  137    H    ASN  18           HN       ASN  18  77.502   3.606  -8.581
  138    HA   ASN  18           HA       ASN  18  76.415   6.256  -8.969
  139   1HB   ASN  18           HB2      ASN  18  78.012   4.254 -10.342
  140   2HB   ASN  18           HB1      ASN  18  76.875   5.015 -11.455
  141   1HD2  ASN  18          HD22      ASN  18  80.145   7.040 -10.486
  142   2HD2  ASN  18          HD21      ASN  18  79.968   5.358 -10.341
  143    H    GLU  19           HN       GLU  19  75.366   2.993  -9.975
  144    HA   GLU  19           HA       GLU  19  73.083   3.839 -11.502
  145   1HB   GLU  19           HB2      GLU  19  74.449   1.539 -11.093
  146   2HB   GLU  19           HB1      GLU  19  73.065   1.247 -10.039
  147   1HG   GLU  19           HG2      GLU  19  71.817   0.735 -11.834
  148   2HG   GLU  19           HG1      GLU  19  72.072   2.362 -12.463
  149    H    PHE  20           HN       PHE  20  73.607   3.248  -8.063
  150    HA   PHE  20           HA       PHE  20  70.863   3.068  -7.242
  151   1HB   PHE  20           HB2      PHE  20  73.515   3.748  -6.003
  152   2HB   PHE  20           HB1      PHE  20  72.045   3.976  -5.057
  153    HD1  PHE  20           HD2      PHE  20  72.681   1.375  -7.650
  154    HD2  PHE  20           HD1      PHE  20  72.200   2.217  -3.465
  155    HE1  PHE  20           HE2      PHE  20  72.611  -1.056  -7.168
  156    HE2  PHE  20           HE1      PHE  20  72.130  -0.216  -2.984
  157    HZ   PHE  20           HZ       PHE  20  72.335  -1.851  -4.836
  158    H    LYS  21           HN       LYS  21  73.064   5.831  -7.689
  159    HA   LYS  21           HA       LYS  21  71.475   7.883  -6.552
  160   1HB   LYS  21           HB2      LYS  21  73.889   7.745  -7.646
  161   2HB   LYS  21           HB1      LYS  21  73.030   8.299  -9.084
  162   1HG   LYS  21           HG2      LYS  21  72.059   9.902  -6.994
  163   2HG   LYS  21           HG1      LYS  21  73.799   9.803  -6.725
  164   1HD   LYS  21           HD2      LYS  21  74.310  10.775  -8.785
  165   2HD   LYS  21           HD1      LYS  21  72.759  10.322  -9.494
  166   1HE   LYS  21           HE2      LYS  21  71.601  11.985  -8.110
  167   2HE   LYS  21           HE1      LYS  21  73.130  12.412  -7.317
  168   1HZ   LYS  21           HZ2      LYS  21  74.053  12.905  -9.529
  169   2HZ   LYS  21           HZ1      LYS  21  72.526  12.626 -10.220
  170   3HZ   LYS  21           HZ3      LYS  21  72.744  13.917  -9.142
  171    H    ALA  22           HN       ALA  22  71.445   6.537  -9.862
  172    HA   ALA  22           HA       ALA  22  69.462   8.312 -10.932
  173   1HB   ALA  22           HB3      ALA  22  71.003   6.875 -12.235
  174   2HB   ALA  22           HB2      ALA  22  70.176   5.443 -11.623
  175   3HB   ALA  22           HB1      ALA  22  69.325   6.568 -12.681
  176    H    ALA  23           HN       ALA  23  68.998   4.844 -10.163
  177    HA   ALA  23           HA       ALA  23  66.185   4.841 -10.146
  178   1HB   ALA  23           HB3      ALA  23  68.177   3.266  -8.480
  179   2HB   ALA  23           HB2      ALA  23  66.497   2.800  -8.742
  180   3HB   ALA  23           HB1      ALA  23  67.620   2.849 -10.101
  181    H    PHE  24           HN       PHE  24  68.420   5.432  -7.414
  182    HA   PHE  24           HA       PHE  24  66.666   5.660  -5.273
  183   1HB   PHE  24           HB2      PHE  24  69.009   5.945  -4.956
  184   2HB   PHE  24           HB1      PHE  24  69.085   7.259  -6.130
  185    HD1  PHE  24           HD2      PHE  24  68.046   9.476  -5.594
  186    HD2  PHE  24           HD1      PHE  24  68.402   6.346  -2.675
  187    HE1  PHE  24           HE2      PHE  24  67.658  11.123  -3.781
  188    HE2  PHE  24           HE1      PHE  24  68.015   7.992  -0.861
  189    HZ   PHE  24           HZ       PHE  24  67.643  10.381  -1.414
  190    H    ASP  25           HN       ASP  25  67.392   8.197  -7.691
  191    HA   ASP  25           HA       ASP  25  65.565  10.143  -6.572
  192   1HB   ASP  25           HB2      ASP  25  67.503   9.877  -8.660
  193   2HB   ASP  25           HB1      ASP  25  66.021  10.511  -9.376
  194    H    ILE  26           HN       ILE  26  65.071   7.281  -8.391
  195    HA   ILE  26           HA       ILE  26  62.630   8.191  -9.750
  196    HB   ILE  26           HB       ILE  26  63.938   5.483  -9.375
  197   1HG1  ILE  26          HG12      ILE  26  64.169   7.701 -11.402
  198   2HG1  ILE  26          HG11      ILE  26  65.452   6.776 -10.624
  199   1HG2  ILE  26          HG21      ILE  26  61.367   5.812 -10.033
  200   2HG2  ILE  26          HG23      ILE  26  62.075   6.118 -11.619
  201   3HG2  ILE  26          HG22      ILE  26  62.368   4.581 -10.803
  202   1HD1  ILE  26          HD12      ILE  26  64.214   4.764 -11.902
  203   2HD1  ILE  26          HD11      ILE  26  63.781   6.083 -12.987
  204   3HD1  ILE  26          HD13      ILE  26  65.478   5.727 -12.667
  205    H    PHE  27           HN       PHE  27  63.505   6.349  -6.841
  206    HA   PHE  27           HA       PHE  27  60.829   5.401  -6.265
  207   1HB   PHE  27           HB2      PHE  27  63.171   5.920  -4.412
  208   2HB   PHE  27           HB1      PHE  27  61.852   4.779  -4.150
  209    HD1  PHE  27           HD1      PHE  27  61.562   3.533  -6.803
  210    HD2  PHE  27           HD2      PHE  27  65.107   4.603  -4.628
  211    HE1  PHE  27           HE1      PHE  27  62.834   1.781  -8.015
  212    HE2  PHE  27           HE2      PHE  27  66.380   2.853  -5.840
  213    HZ   PHE  27           HZ       PHE  27  65.243   1.441  -7.533
  214    H    VAL  28           HN       VAL  28  62.681   8.307  -5.452
  215    HA   VAL  28           HA       VAL  28  60.806   9.307  -3.477
  216    HB   VAL  28           HB       VAL  28  62.235  11.270  -3.601
  217   1HG1  VAL  28          HG13      VAL  28  63.098   8.758  -2.974
  218   2HG1  VAL  28          HG12      VAL  28  64.292   9.234  -4.184
  219   3HG1  VAL  28          HG11      VAL  28  64.058  10.218  -2.739
  220   1HG2  VAL  28          HG23      VAL  28  62.649  10.256  -6.335
  221   2HG2  VAL  28          HG22      VAL  28  62.755  11.906  -5.721
  222   3HG2  VAL  28          HG21      VAL  28  64.126  10.809  -5.544
  223    H    LEU  29           HN       LEU  29  60.583   8.997  -6.825
  224    HA   LEU  29           HA       LEU  29  59.535  11.377  -7.835
  225   1HB   LEU  29           HB2      LEU  29  59.136   8.458  -8.260
  226   2HB   LEU  29           HB1      LEU  29  57.923   9.519  -8.978
  227    HG   LEU  29           HG       LEU  29  60.922   9.668  -9.406
  228   1HD1  LEU  29          HD12      LEU  29  58.579   8.784 -11.093
  229   2HD1  LEU  29          HD11      LEU  29  60.100   9.297 -11.824
  230   3HD1  LEU  29          HD13      LEU  29  60.068   7.906 -10.740
  231   1HD2  LEU  29          HD21      LEU  29  58.879  11.683  -9.609
  232   2HD2  LEU  29          HD23      LEU  29  60.596  11.821  -9.986
  233   3HD2  LEU  29          HD22      LEU  29  59.461  11.293 -11.227
  234    H    GLY  30           HN       GLY  30  58.381  12.498  -6.139
  235   1HA   GLY  30           HA2      GLY  30  55.922  13.013  -5.840
  236   2HA   GLY  30           HA1      GLY  30  55.720  11.298  -5.478
  237    H    ALA  31           HN       ALA  31  58.496  11.560  -4.068
  238    HA   ALA  31           HA       ALA  31  57.634  11.611  -1.400
  239   1HB   ALA  31           HB3      ALA  31  60.255  12.425  -2.693
  240   2HB   ALA  31           HB2      ALA  31  60.065  12.164  -0.959
  241   3HB   ALA  31           HB1      ALA  31  59.822  10.827  -2.084
  242    H    GLU  32           HN       GLU  32  58.419  13.401   0.227
  243    HA   GLU  32           HA       GLU  32  57.221  15.963  -0.663
  244   1HB   GLU  32           HB2      GLU  32  58.210  15.044   2.054
  245   2HB   GLU  32           HB1      GLU  32  57.127  16.398   1.732
  246   1HG   GLU  32           HG2      GLU  32  56.383  13.646   0.783
  247   2HG   GLU  32           HG1      GLU  32  56.113  14.090   2.468
  248    H    ASP  33           HN       ASP  33  60.304  14.663   0.515
  249    HA   ASP  33           HA       ASP  33  61.558  17.339  -0.014
  250   1HB   ASP  33           HB2      ASP  33  63.229  16.557   1.692
  251   2HB   ASP  33           HB1      ASP  33  61.592  16.687   2.337
  252    H    GLY  34           HN       GLY  34  61.408  14.048  -0.947
  253   1HA   GLY  34           HA2      GLY  34  62.517  13.433  -3.073
  254   2HA   GLY  34           HA1      GLY  34  63.901  14.398  -2.558
  255    H    CYS  35           HN       CYS  35  62.064  12.129  -0.553
  256    HA   CYS  35           HA       CYS  35  64.584  10.534  -0.231
  257   1HB   CYS  35           HB2      CYS  35  62.407  11.502   1.557
  258   2HB   CYS  35           HB1      CYS  35  63.078   9.912   1.923
  259    HG   CYS  35           HG       CYS  35  64.457  12.514   2.490
  260    H    ILE  36           HN       ILE  36  64.089   8.168   0.351
  261    HA   ILE  36           HA       ILE  36  61.931   7.165  -1.459
  262    HB   ILE  36           HB       ILE  36  64.149   5.514  -0.258
  263   1HG1  ILE  36          HG12      ILE  36  64.396   7.413  -2.616
  264   2HG1  ILE  36          HG11      ILE  36  65.277   7.524  -1.092
  265   1HG2  ILE  36          HG22      ILE  36  62.175   5.303  -2.395
  266   2HG2  ILE  36          HG21      ILE  36  63.807   4.967  -2.974
  267   3HG2  ILE  36          HG23      ILE  36  63.136   4.037  -1.633
  268   1HD1  ILE  36          HD11      ILE  36  65.502   4.899  -2.399
  269   2HD1  ILE  36          HD13      ILE  36  66.192   6.223  -3.339
  270   3HD1  ILE  36          HD12      ILE  36  66.759   5.917  -1.697
  271    H    SER  37           HN       SER  37  60.391   7.681   0.413
  272    HA   SER  37           HA       SER  37  60.428   6.510   2.960
  273   1HB   SER  37           HB2      SER  37  57.818   6.405   1.631
  274   2HB   SER  37           HB1      SER  37  58.339   7.398   2.989
  275    HG   SER  37           HG       SER  37  57.900   8.719   1.227
  276    H    THR  38           HN       THR  38  60.053   4.434   3.741
  277    HA   THR  38           HA       THR  38  60.483   2.122   2.259
  278    HB   THR  38           HB       THR  38  60.386   2.292   4.722
  279    HG1  THR  38           HG1      THR  38  59.995   0.264   3.603
  280   1HG2  THR  38          HG21      THR  38  58.145   3.705   4.401
  281   2HG2  THR  38          HG23      THR  38  57.412   2.125   4.675
  282   3HG2  THR  38          HG22      THR  38  58.480   2.824   5.892
  283    H    LYS  39           HN       LYS  39  57.452   3.904   2.649
  284    HA   LYS  39           HA       LYS  39  55.549   2.079   1.717
  285   1HB   LYS  39           HB2      LYS  39  55.996   5.034   1.532
  286   2HB   LYS  39           HB1      LYS  39  54.665   4.340   0.606
  287   1HG   LYS  39           HG2      LYS  39  53.442   4.406   2.498
  288   2HG   LYS  39           HG1      LYS  39  54.481   3.122   3.118
  289   1HD   LYS  39           HD2      LYS  39  55.793   4.584   4.350
  290   2HD   LYS  39           HD1      LYS  39  55.452   5.950   3.285
  291   1HE   LYS  39           HE2      LYS  39  53.432   6.434   4.326
  292   2HE   LYS  39           HE1      LYS  39  53.178   4.754   4.839
  293   1HZ   LYS  39           HZ1      LYS  39  55.294   5.097   6.197
  294   2HZ   LYS  39           HZ3      LYS  39  55.037   6.757   5.967
  295   3HZ   LYS  39           HZ2      LYS  39  53.871   5.823   6.775
  296    H    GLU  40           HN       GLU  40  57.836   4.038  -0.191
  297    HA   GLU  40           HA       GLU  40  56.854   2.823  -2.714
  298   1HB   GLU  40           HB2      GLU  40  58.924   4.933  -2.028
  299   2HB   GLU  40           HB1      GLU  40  58.489   4.474  -3.674
  300   1HG   GLU  40           HG2      GLU  40  56.495   5.573  -3.591
  301   2HG   GLU  40           HG1      GLU  40  56.203   5.115  -1.913
  302    H    LEU  41           HN       LEU  41  58.516   1.414  -0.489
  303    HA   LEU  41           HA       LEU  41  60.967   0.725  -2.026
  304   1HB   LEU  41           HB2      LEU  41  60.557   1.245   0.579
  305   2HB   LEU  41           HB1      LEU  41  60.254  -0.492   0.607
  306    HG   LEU  41           HG       LEU  41  62.650   0.102   1.043
  307   1HD1  LEU  41          HD11      LEU  41  61.981  -2.086   0.061
  308   2HD1  LEU  41          HD13      LEU  41  62.171  -1.397  -1.550
  309   3HD1  LEU  41          HD12      LEU  41  63.572  -1.564  -0.492
  310   1HD2  LEU  41          HD23      LEU  41  62.227   1.859  -1.105
  311   2HD2  LEU  41          HD22      LEU  41  63.764   1.526  -0.306
  312   3HD2  LEU  41          HD21      LEU  41  63.301   0.615  -1.744
  313    H    GLY  42           HN       GLY  42  57.956  -0.715  -0.826
  314   1HA   GLY  42           HA2      GLY  42  58.541  -3.433  -1.448
  315   2HA   GLY  42           HA1      GLY  42  56.917  -2.750  -1.361
  316    H    LYS  43           HN       LYS  43  56.452  -1.229  -3.360
  317    HA   LYS  43           HA       LYS  43  56.373  -2.807  -5.709
  318   1HB   LYS  43           HB2      LYS  43  56.173   0.151  -5.120
  319   2HB   LYS  43           HB1      LYS  43  55.933  -0.480  -6.750
  320   1HG   LYS  43           HG2      LYS  43  54.378  -2.174  -5.223
  321   2HG   LYS  43           HG1      LYS  43  54.158  -0.620  -4.416
  322   1HD   LYS  43           HD2      LYS  43  52.978   0.244  -6.150
  323   2HD   LYS  43           HD1      LYS  43  54.069  -0.449  -7.350
  324   1HE   LYS  43           HE2      LYS  43  52.982  -2.631  -7.150
  325   2HE   LYS  43           HE1      LYS  43  51.940  -2.017  -5.849
  326   1HZ   LYS  43           HZ2      LYS  43  51.248  -0.233  -7.438
  327   2HZ   LYS  43           HZ1      LYS  43  52.042  -1.095  -8.669
  328   3HZ   LYS  43           HZ3      LYS  43  50.725  -1.793  -7.861
  329    H    VAL  44           HN       VAL  44  58.824  -0.553  -4.543
  330    HA   VAL  44           HA       VAL  44  60.313  -0.387  -7.030
  331    HB   VAL  44           HB       VAL  44  60.723   0.282  -4.122
  332   1HG1  VAL  44          HG13      VAL  44  62.818  -0.017  -6.226
  333   2HG1  VAL  44          HG12      VAL  44  62.916   1.405  -5.187
  334   3HG1  VAL  44          HG11      VAL  44  62.947  -0.209  -4.478
  335   1HG2  VAL  44          HG21      VAL  44  60.703   1.871  -6.706
  336   2HG2  VAL  44          HG23      VAL  44  59.414   1.811  -5.505
  337   3HG2  VAL  44          HG22      VAL  44  60.958   2.563  -5.103
  338    H    MET  45           HN       MET  45  61.019  -2.050  -3.935
  339    HA   MET  45           HA       MET  45  63.276  -3.517  -4.689
  340   1HB   MET  45           HB2      MET  45  61.050  -3.738  -2.753
  341   2HB   MET  45           HB1      MET  45  61.906  -5.246  -3.068
  342   1HG   MET  45           HG2      MET  45  63.513  -2.766  -2.582
  343   2HG   MET  45           HG1      MET  45  62.771  -3.577  -1.203
  344   1HE   MET  45           HE2      MET  45  65.555  -2.836  -2.483
  345   2HE   MET  45           HE1      MET  45  66.116  -3.700  -1.054
  346   3HE   MET  45           HE3      MET  45  66.676  -4.183  -2.660
  347    H    ARG  46           HN       ARG  46  59.884  -4.140  -5.472
  348    HA   ARG  46           HA       ARG  46  60.165  -6.825  -6.434
  349   1HB   ARG  46           HB2      ARG  46  58.260  -4.538  -6.695
  350   2HB   ARG  46           HB1      ARG  46  58.096  -5.863  -7.848
  351   1HG   ARG  46           HG2      ARG  46  58.022  -7.469  -5.940
  352   2HG   ARG  46           HG1      ARG  46  58.069  -6.102  -4.826
  353   1HD   ARG  46           HD2      ARG  46  55.933  -5.308  -5.541
  354   2HD   ARG  46           HD1      ARG  46  55.945  -6.358  -6.973
  355    HE   ARG  46           HE       ARG  46  55.820  -8.307  -5.405
  356   1HH1  ARG  46          HH21      ARG  46  56.524  -6.749  -2.908
  357   2HH1  ARG  46          HH22      ARG  46  54.975  -6.592  -2.148
  358   1HH2  ARG  46          HH11      ARG  46  53.193  -7.422  -5.005
  359   2HH2  ARG  46          HH12      ARG  46  53.091  -6.976  -3.335
  360    H    MET  47           HN       MET  47  60.269  -3.685  -8.164
  361    HA   MET  47           HA       MET  47  60.977  -4.981 -10.699
  362   1HB   MET  47           HB2      MET  47  60.874  -2.737 -11.546
  363   2HB   MET  47           HB1      MET  47  59.601  -2.861 -10.333
  364   1HG   MET  47           HG2      MET  47  60.948  -1.734  -8.688
  365   2HG   MET  47           HG1      MET  47  62.374  -1.810  -9.722
  366   1HE   MET  47           HE1      MET  47  63.036  -0.689 -11.230
  367   2HE   MET  47           HE3      MET  47  62.216   0.408 -12.350
  368   3HE   MET  47           HE2      MET  47  62.895   1.023 -10.846
  369    H    LEU  48           HN       LEU  48  62.659  -3.277  -8.092
  370    HA   LEU  48           HA       LEU  48  65.150  -2.755  -9.305
  371   1HB   LEU  48           HB2      LEU  48  63.993  -3.097  -6.644
  372   2HB   LEU  48           HB1      LEU  48  65.681  -3.606  -6.697
  373    HG   LEU  48           HG       LEU  48  64.671  -0.951  -7.752
  374   1HD1  LEU  48          HD13      LEU  48  64.512  -1.297  -5.229
  375   2HD1  LEU  48          HD12      LEU  48  66.268  -1.457  -5.231
  376   3HD1  LEU  48          HD11      LEU  48  65.519   0.053  -5.750
  377   1HD2  LEU  48          HD22      LEU  48  66.923  -2.265  -8.478
  378   2HD2  LEU  48          HD21      LEU  48  66.840  -0.507  -8.359
  379   3HD2  LEU  48          HD23      LEU  48  67.513  -1.450  -7.030
  380    H    GLY  49           HN       GLY  49  63.733  -5.799  -8.299
  381   1HA   GLY  49           HA2      GLY  49  64.651  -7.815  -9.489
  382   2HA   GLY  49           HA1      GLY  49  66.257  -7.185  -9.120
  383    H    GLN  50           HN       GLN  50  63.757  -6.865  -6.730
  384    HA   GLN  50           HA       GLN  50  64.951  -9.145  -5.189
  385   1HB   GLN  50           HB2      GLN  50  64.204  -6.341  -4.305
  386   2HB   GLN  50           HB1      GLN  50  64.693  -7.627  -3.201
  387   1HG   GLN  50           HG2      GLN  50  66.516  -7.235  -5.484
  388   2HG   GLN  50           HG1      GLN  50  66.429  -5.861  -4.381
  389   1HE2  GLN  50          HE22      GLN  50  69.012  -8.162  -3.013
  390   2HE2  GLN  50          HE21      GLN  50  68.837  -7.225  -4.417
  391    H    ASN  51           HN       ASN  51  63.387  -9.498  -3.147
  392    HA   ASN  51           HA       ASN  51  60.533  -9.106  -3.879
  393   1HB   ASN  51           HB2      ASN  51  61.690 -11.258  -4.855
  394   2HB   ASN  51           HB1      ASN  51  61.533 -11.861  -3.206
  395   1HD2  ASN  51          HD22      ASN  51  58.388 -12.910  -4.742
  396   2HD2  ASN  51          HD21      ASN  51  60.020 -13.377  -4.700
  397    HA   PRO  52           HA       PRO  52  61.631  -9.061   0.678
  398   1HB   PRO  52           HB2      PRO  52  60.866  -6.474   1.156
  399   2HB   PRO  52           HB1      PRO  52  62.512  -6.920   0.665
  400   1HG   PRO  52           HG2      PRO  52  60.287  -5.808  -0.968
  401   2HG   PRO  52           HG1      PRO  52  62.022  -5.462  -1.039
  402   1HD   PRO  52           HD2      PRO  52  60.740  -7.102  -2.803
  403   2HD   PRO  52           HD1      PRO  52  62.459  -7.264  -2.383
  404    H    THR  53           HN       THR  53  60.005  -8.997   2.406
  405    HA   THR  53           HA       THR  53  57.278  -9.508   1.410
  406    HB   THR  53           HB       THR  53  57.277  -9.681   4.174
  407    HG1  THR  53           HG1      THR  53  59.451 -10.966   4.169
  408   1HG2  THR  53          HG22      THR  53  57.358 -11.433   1.880
  409   2HG2  THR  53          HG21      THR  53  58.273 -12.136   3.214
  410   3HG2  THR  53          HG23      THR  53  56.582 -11.689   3.443
  411    HA   PRO  54           HA       PRO  54  55.417  -5.742   2.664
  412   1HB   PRO  54           HB2      PRO  54  53.254  -6.510   4.157
  413   2HB   PRO  54           HB1      PRO  54  53.338  -6.717   2.397
  414   1HG   PRO  54           HG2      PRO  54  53.784  -8.712   4.559
  415   2HG   PRO  54           HG1      PRO  54  52.982  -8.905   2.994
  416   1HD   PRO  54           HD2      PRO  54  55.526  -9.749   3.493
  417   2HD   PRO  54           HD1      PRO  54  54.951  -9.267   1.881
  418    H    GLU  55           HN       GLU  55  56.027  -8.025   5.294
  419    HA   GLU  55           HA       GLU  55  55.870  -5.965   7.385
  420   1HB   GLU  55           HB2      GLU  55  56.202  -8.885   7.101
  421   2HB   GLU  55           HB1      GLU  55  57.071  -8.188   8.468
  422   1HG   GLU  55           HG2      GLU  55  54.929  -7.017   9.119
  423   2HG   GLU  55           HG1      GLU  55  54.110  -7.964   7.875
  424    H    GLU  56           HN       GLU  56  58.494  -8.103   6.188
  425    HA   GLU  56           HA       GLU  56  60.670  -6.967   7.521
  426   1HB   GLU  56           HB2      GLU  56  60.185  -8.364   4.929
  427   2HB   GLU  56           HB1      GLU  56  61.773  -7.634   5.161
  428   1HG   GLU  56           HG2      GLU  56  61.546  -8.833   7.544
  429   2HG   GLU  56           HG1      GLU  56  60.501  -9.907   6.614
  430    H    LEU  57           HN       LEU  57  58.962  -5.732   4.678
  431    HA   LEU  57           HA       LEU  57  60.693  -3.875   3.586
  432   1HB   LEU  57           HB2      LEU  57  57.812  -4.201   3.977
  433   2HB   LEU  57           HB1      LEU  57  58.278  -2.507   3.818
  434    HG   LEU  57           HG       LEU  57  59.467  -4.487   1.915
  435   1HD1  LEU  57          HD11      LEU  57  56.762  -4.529   2.250
  436   2HD1  LEU  57          HD13      LEU  57  56.923  -3.235   1.063
  437   3HD1  LEU  57          HD12      LEU  57  57.562  -4.840   0.709
  438   1HD2  LEU  57          HD23      LEU  57  60.150  -2.102   1.933
  439   2HD2  LEU  57          HD22      LEU  57  59.360  -2.535   0.417
  440   3HD2  LEU  57          HD21      LEU  57  58.475  -1.630   1.646
  441    H    GLN  58           HN       GLN  58  58.427  -2.982   6.227
  442    HA   GLN  58           HA       GLN  58  59.959  -0.578   6.859
  443   1HB   GLN  58           HB2      GLN  58  57.427  -1.058   7.037
  444   2HB   GLN  58           HB1      GLN  58  57.822  -1.907   8.533
  445   1HG   GLN  58           HG2      GLN  58  58.524   0.980   7.922
  446   2HG   GLN  58           HG1      GLN  58  57.207   0.452   8.970
  447   1HE2  GLN  58          HE22      GLN  58  60.868   0.778  10.533
  448   2HE2  GLN  58          HE21      GLN  58  60.412   1.462   9.047
  449    H    GLU  59           HN       GLU  59  59.655  -3.837   8.227
  450    HA   GLU  59           HA       GLU  59  60.994  -3.350  10.710
  451   1HB   GLU  59           HB2      GLU  59  59.698  -5.415   9.465
  452   2HB   GLU  59           HB1      GLU  59  61.371  -5.966   9.378
  453   1HG   GLU  59           HG2      GLU  59  61.328  -5.108  11.935
  454   2HG   GLU  59           HG1      GLU  59  59.633  -5.562  11.756
  455    H    MET  60           HN       MET  60  62.185  -3.825   7.442
  456    HA   MET  60           HA       MET  60  64.934  -4.429   8.227
  457   1HB   MET  60           HB2      MET  60  63.718  -5.099   6.099
  458   2HB   MET  60           HB1      MET  60  63.843  -3.415   5.586
  459   1HG   MET  60           HG2      MET  60  65.914  -3.835   4.821
  460   2HG   MET  60           HG1      MET  60  66.424  -4.185   6.474
  461   1HE   MET  60           HE3      MET  60  65.732  -6.237   7.654
  462   2HE   MET  60           HE2      MET  60  66.059  -7.840   6.998
  463   3HE   MET  60           HE1      MET  60  67.363  -6.660   7.113
  464    H    ILE  61           HN       ILE  61  63.056  -1.530   7.615
  465    HA   ILE  61           HA       ILE  61  65.520   0.146   7.554
  466    HB   ILE  61           HB       ILE  61  62.614   0.943   7.237
  467   1HG1  ILE  61          HG12      ILE  61  64.592   0.066   5.107
  468   2HG1  ILE  61          HG11      ILE  61  63.194  -0.867   5.643
  469   1HG2  ILE  61          HG21      ILE  61  64.868   2.487   7.477
  470   2HG2  ILE  61          HG23      ILE  61  64.761   2.289   5.727
  471   3HG2  ILE  61          HG22      ILE  61  63.408   2.984   6.621
  472   1HD1  ILE  61          HD12      ILE  61  62.561   1.906   4.879
  473   2HD1  ILE  61          HD11      ILE  61  63.168   0.917   3.552
  474   3HD1  ILE  61          HD13      ILE  61  61.739   0.406   4.450
  475    H    ASP  62           HN       ASP  62  63.529  -1.157   9.859
  476    HA   ASP  62           HA       ASP  62  63.240   1.230  11.569
  477   1HB   ASP  62           HB2      ASP  62  61.809  -1.035  11.216
  478   2HB   ASP  62           HB1      ASP  62  62.815  -1.544  12.571
  479    H    GLU  63           HN       GLU  63  65.672  -1.055  10.907
  480    HA   GLU  63           HA       GLU  63  66.930  -0.641  13.598
  481   1HB   GLU  63           HB2      GLU  63  66.838  -2.848  11.580
  482   2HB   GLU  63           HB1      GLU  63  68.301  -2.688  12.552
  483   1HG   GLU  63           HG2      GLU  63  66.636  -2.509  14.564
  484   2HG   GLU  63           HG1      GLU  63  65.492  -3.264  13.454
  485    H    VAL  64           HN       VAL  64  67.283  -0.200  10.144
  486    HA   VAL  64           HA       VAL  64  70.147   0.474  10.328
  487    HB   VAL  64           HB       VAL  64  68.134  -0.204   8.330
  488   1HG1  VAL  64          HG11      VAL  64  69.989   2.111   7.705
  489   2HG1  VAL  64          HG13      VAL  64  69.133   1.166   6.485
  490   3HG1  VAL  64          HG12      VAL  64  68.226   2.126   7.654
  491   1HG2  VAL  64          HG22      VAL  64  70.776  -0.845   9.032
  492   2HG2  VAL  64          HG21      VAL  64  69.836  -1.536   7.708
  493   3HG2  VAL  64          HG23      VAL  64  70.883  -0.146   7.417
  494    H    ASP  65           HN       ASP  65  67.026   2.130  10.034
  495    HA   ASP  65           HA       ASP  65  67.744   4.728   9.346
  496   1HB   ASP  65           HB2      ASP  65  65.552   3.399  10.377
  497   2HB   ASP  65           HB1      ASP  65  65.938   4.542  11.664
  498    H    GLU  66           HN       GLU  66  69.837   5.316  10.156
  499    HA   GLU  66           HA       GLU  66  70.390   5.239  13.041
  500   1HB   GLU  66           HB2      GLU  66  72.538   6.196  12.302
  501   2HB   GLU  66           HB1      GLU  66  72.089   4.837  11.270
  502   1HG   GLU  66           HG2      GLU  66  70.884   6.865   9.928
  503   2HG   GLU  66           HG1      GLU  66  72.258   7.726  10.622
  504    H    ASP  67           HN       ASP  67  68.369   7.149  11.360
  505    HA   ASP  67           HA       ASP  67  69.047   9.576  12.987
  506   1HB   ASP  67           HB2      ASP  67  68.171  10.867  11.027
  507   2HB   ASP  67           HB1      ASP  67  69.593   9.904  10.626
  508    H    GLY  68           HN       GLY  68  66.806   7.140  12.403
  509   1HA   GLY  68           HA2      GLY  68  64.552   6.863  12.994
  510   2HA   GLY  68           HA1      GLY  68  64.847   8.136  14.180
  511    H    SER  69           HN       SER  69  65.167   8.533  10.683
  512    HA   SER  69           HA       SER  69  63.358  10.841  10.757
  513   1HB   SER  69           HB2      SER  69  64.125  11.121   8.482
  514   2HB   SER  69           HB1      SER  69  65.510  10.601   9.437
  515    HG   SER  69           HG       SER  69  65.150   9.456   7.403
  516    H    GLY  70           HN       GLY  70  63.024   7.467  10.211
  517   1HA   GLY  70           HA2      GLY  70  60.924   6.348   9.917
  518   2HA   GLY  70           HA1      GLY  70  60.214   7.875   9.389
  519    H    THR  71           HN       THR  71  62.000   8.621   7.380
  520    HA   THR  71           HA       THR  71  61.267   6.677   5.271
  521    HB   THR  71           HB       THR  71  61.915   8.543   3.799
  522    HG1  THR  71           HG1      THR  71  62.611  10.491   4.907
  523   1HG2  THR  71          HG22      THR  71  59.853   8.560   5.701
  524   2HG2  THR  71          HG21      THR  71  60.537  10.185   5.752
  525   3HG2  THR  71          HG23      THR  71  59.938   9.528   4.229
  526    H    VAL  72           HN       VAL  72  63.078   6.488   3.484
  527    HA   VAL  72           HA       VAL  72  65.613   5.712   4.875
  528    HB   VAL  72           HB       VAL  72  64.636   4.787   2.169
  529   1HG1  VAL  72          HG12      VAL  72  66.954   4.338   3.602
  530   2HG1  VAL  72          HG11      VAL  72  65.972   2.929   4.001
  531   3HG1  VAL  72          HG13      VAL  72  66.334   3.302   2.317
  532   1HG2  VAL  72          HG23      VAL  72  63.713   3.971   4.915
  533   2HG2  VAL  72          HG22      VAL  72  62.762   4.193   3.446
  534   3HG2  VAL  72          HG21      VAL  72  63.786   2.768   3.625
  535    H    ASP  73           HN       ASP  73  67.299   7.084   4.456
  536    HA   ASP  73           HA       ASP  73  67.190   8.902   2.120
  537   1HB   ASP  73           HB2      ASP  73  68.059   9.052   4.751
  538   2HB   ASP  73           HB1      ASP  73  69.566   8.910   3.846
  539    H    PHE  74           HN       PHE  74  69.248   9.116   0.792
  540    HA   PHE  74           HA       PHE  74  69.975   6.813  -0.585
  541   1HB   PHE  74           HB2      PHE  74  70.497   9.272  -1.042
  542   2HB   PHE  74           HB1      PHE  74  71.863   9.093   0.059
  543    HD1  PHE  74           HD2      PHE  74  70.429   6.707  -2.443
  544    HD2  PHE  74           HD1      PHE  74  73.802   9.095  -1.272
  545    HE1  PHE  74           HE2      PHE  74  71.773   5.705  -4.269
  546    HE2  PHE  74           HE1      PHE  74  75.147   8.092  -3.099
  547    HZ   PHE  74           HZ       PHE  74  74.131   6.396  -4.598
  548    H    ASP  75           HN       ASP  75  71.810   8.264   2.137
  549    HA   ASP  75           HA       ASP  75  73.825   6.288   2.354
  550   1HB   ASP  75           HB2      ASP  75  72.433   7.903   4.518
  551   2HB   ASP  75           HB1      ASP  75  74.036   7.178   4.648
  552    H    GLU  76           HN       GLU  76  70.530   6.359   3.690
  553    HA   GLU  76           HA       GLU  76  70.896   3.845   5.166
  554   1HB   GLU  76           HB2      GLU  76  68.479   5.559   4.496
  555   2HB   GLU  76           HB1      GLU  76  68.483   4.230   5.658
  556   1HG   GLU  76           HG2      GLU  76  70.004   5.368   7.104
  557   2HG   GLU  76           HG1      GLU  76  70.388   6.569   5.870
  558    H    PHE  77           HN       PHE  77  69.174   4.912   2.220
  559    HA   PHE  77           HA       PHE  77  67.835   2.561   1.504
  560   1HB   PHE  77           HB2      PHE  77  67.789   4.791   0.371
  561   2HB   PHE  77           HB1      PHE  77  69.383   4.446  -0.300
  562    HD1  PHE  77           HD2      PHE  77  66.344   2.299   0.166
  563    HD2  PHE  77           HD1      PHE  77  69.151   4.025  -2.588
  564    HE1  PHE  77           HE2      PHE  77  65.288   1.044  -1.694
  565    HE2  PHE  77           HE1      PHE  77  68.097   2.771  -4.449
  566    HZ   PHE  77           HZ       PHE  77  66.164   1.281  -4.003
  567    H    LEU  78           HN       LEU  78  71.284   3.307   1.223
  568    HA   LEU  78           HA       LEU  78  71.963   1.023  -0.426
  569   1HB   LEU  78           HB2      LEU  78  73.332   3.116   1.210
  570   2HB   LEU  78           HB1      LEU  78  74.269   1.685   0.777
  571    HG   LEU  78           HG       LEU  78  72.745   3.402  -1.203
  572   1HD1  LEU  78          HD12      LEU  78  75.690   3.281  -0.490
  573   2HD1  LEU  78          HD11      LEU  78  75.055   4.088  -1.924
  574   3HD1  LEU  78          HD13      LEU  78  74.615   4.669  -0.319
  575   1HD2  LEU  78          HD21      LEU  78  74.634   1.048  -1.474
  576   2HD2  LEU  78          HD23      LEU  78  72.958   1.144  -2.010
  577   3HD2  LEU  78          HD22      LEU  78  74.198   2.094  -2.826
  578    H    VAL  79           HN       VAL  79  72.907   1.635   2.976
  579    HA   VAL  79           HA       VAL  79  73.674  -0.957   3.678
  580    HB   VAL  79           HB       VAL  79  72.217   1.187   5.260
  581   1HG1  VAL  79          HG11      VAL  79  72.135  -1.114   6.305
  582   2HG1  VAL  79          HG13      VAL  79  73.898  -1.098   6.325
  583   3HG1  VAL  79          HG12      VAL  79  72.996   0.090   7.265
  584   1HG2  VAL  79          HG22      VAL  79  74.610   1.412   4.064
  585   2HG2  VAL  79          HG21      VAL  79  74.287   2.130   5.642
  586   3HG2  VAL  79          HG23      VAL  79  75.128   0.583   5.532
  587    H    MET  80           HN       MET  80  70.410   0.416   4.319
  588    HA   MET  80           HA       MET  80  69.089  -1.854   5.219
  589   1HB   MET  80           HB2      MET  80  67.077  -0.783   4.254
  590   2HB   MET  80           HB1      MET  80  68.138   0.423   4.978
  591   1HG   MET  80           HG2      MET  80  67.868   1.472   2.976
  592   2HG   MET  80           HG1      MET  80  69.138   0.364   2.458
  593   1HE   MET  80           HE3      MET  80  65.696   0.291   3.580
  594   2HE   MET  80           HE2      MET  80  64.943   0.847   2.088
  595   3HE   MET  80           HE1      MET  80  64.823  -0.850   2.546
  596    H    MET  81           HN       MET  81  70.127  -1.132   1.929
  597    HA   MET  81           HA       MET  81  68.640  -3.336   0.706
  598   1HB   MET  81           HB2      MET  81  70.139  -1.023  -0.047
  599   2HB   MET  81           HB1      MET  81  70.865  -2.415  -0.852
  600   1HG   MET  81           HG2      MET  81  68.322  -3.024  -1.332
  601   2HG   MET  81           HG1      MET  81  68.109  -1.284  -1.137
  602   1HE   MET  81           HE1      MET  81  67.936  -0.013  -2.571
  603   2HE   MET  81           HE3      MET  81  69.042   0.407  -3.886
  604   3HE   MET  81           HE2      MET  81  67.679  -0.668  -4.186
  605    H    VAL  82           HN       VAL  82  71.948  -2.764   1.862
  606    HA   VAL  82           HA       VAL  82  73.055  -5.233   0.853
  607    HB   VAL  82           HB       VAL  82  74.029  -2.910   1.800
  608   1HG1  VAL  82          HG11      VAL  82  73.257  -3.549   4.145
  609   2HG1  VAL  82          HG13      VAL  82  74.499  -4.799   4.117
  610   3HG1  VAL  82          HG12      VAL  82  74.956  -3.100   3.998
  611   1HG2  VAL  82          HG22      VAL  82  75.407  -5.602   2.002
  612   2HG2  VAL  82          HG21      VAL  82  75.307  -4.590   0.561
  613   3HG2  VAL  82          HG23      VAL  82  76.229  -4.042   1.961
  614    H    ARG  83           HN       ARG  83  70.868  -4.575   3.363
  615    HA   ARG  83           HA       ARG  83  71.680  -6.911   5.013
  616   1HB   ARG  83           HB2      ARG  83  69.652  -4.675   5.245
  617   2HB   ARG  83           HB1      ARG  83  69.728  -6.001   6.406
  618   1HG   ARG  83           HG2      ARG  83  72.019  -5.443   6.979
  619   2HG   ARG  83           HG1      ARG  83  72.077  -4.217   5.711
  620   1HD   ARG  83           HD2      ARG  83  71.530  -2.823   7.469
  621   2HD   ARG  83           HD1      ARG  83  69.885  -3.370   7.087
  622    HE   ARG  83           HE       ARG  83  71.397  -5.126   8.905
  623   1HH1  ARG  83          HH21      ARG  83  68.527  -5.324   9.021
  624   2HH1  ARG  83          HH22      ARG  83  68.078  -4.296  10.342
  625   1HH2  ARG  83          HH11      ARG  83  71.099  -2.595  10.392
  626   2HH2  ARG  83          HH12      ARG  83  69.534  -2.751  11.118
  627    H    CYS  84           HN       CYS  84  69.136  -5.848   2.801
  628    HA   CYS  84           HA       CYS  84  67.394  -8.139   3.324
  629   1HB   CYS  84           HB2      CYS  84  66.534  -5.964   2.614
  630   2HB   CYS  84           HB1      CYS  84  67.513  -6.026   1.148
  631    HG   CYS  84           HG       CYS  84  65.767  -8.458   1.203
  632    H    MET  85           HN       MET  85  70.083  -7.448   1.194
  633    HA   MET  85           HA       MET  85  69.458  -9.633  -0.675
  634   1HB   MET  85           HB2      MET  85  71.554  -8.903  -1.713
  635   2HB   MET  85           HB1      MET  85  70.581  -7.491  -1.302
  636   1HG   MET  85           HG2      MET  85  71.916  -6.996   0.604
  637   2HG   MET  85           HG1      MET  85  72.683  -8.583   0.574
  638   1HE   MET  85           HE3      MET  85  71.786  -5.562  -1.118
  639   2HE   MET  85           HE2      MET  85  73.349  -4.749  -1.103
  640   3HE   MET  85           HE1      MET  85  72.751  -5.464  -2.598
  641    H    LYS  86           HN       LYS  86  71.446  -9.125   2.190
  642    HA   LYS  86           HA       LYS  86  72.753 -10.642   3.447
  643   1HB   LYS  86           HB2      LYS  86  70.677 -11.838   3.602
  644   2HB   LYS  86           HB1      LYS  86  70.816 -12.420   1.942
  645   1HG   LYS  86           HG2      LYS  86  72.786 -13.753   2.554
  646   2HG   LYS  86           HG1      LYS  86  72.695 -13.148   4.209
  647   1HD   LYS  86           HD2      LYS  86  71.549 -15.152   4.438
  648   2HD   LYS  86           HD1      LYS  86  70.212 -14.064   4.059
  649   1HE   LYS  86           HE2      LYS  86  70.793 -14.689   1.557
  650   2HE   LYS  86           HE1      LYS  86  71.527 -16.121   2.308
  651   1HZ   LYS  86           HZ2      LYS  86  68.831 -15.162   3.064
  652   2HZ   LYS  86           HZ1      LYS  86  69.058 -16.259   1.786
  653   3HZ   LYS  86           HZ3      LYS  86  69.528 -16.684   3.359
  654    H    ASP  87           HN       ASP  87  72.298 -12.870   0.743
  655    HA   ASP  87           HA       ASP  87  75.182 -12.494   0.003
  656   1HB   ASP  87           HB2      ASP  87  73.649 -14.810   0.981
  657   2HB   ASP  87           HB1      ASP  87  74.599 -15.151  -0.466
  658    H    ASP  88           HN       ASP  88  75.415 -14.021  -2.171
  659    HA   ASP  88           HA       ASP  88  73.130 -13.315  -3.981
  660   1HB   ASP  88           HB2      ASP  88  75.717 -12.175  -3.843
  661   2HB   ASP  88           HB1      ASP  88  75.710 -13.194  -5.283
  662    H    SER  89           HN       SER  89  76.240 -15.110  -3.937
  663    HA   SER  89           HA       SER  89  76.716 -17.322  -4.630
  664   1HB   SER  89           HB2      SER  89  75.129 -18.712  -3.803
  665   2HB   SER  89           HB1      SER  89  74.176 -17.273  -3.456
  666    HG   SER  89           HG       SER  89  72.953 -17.670  -5.144
   
  No H/Q in entry =         666
  Start of MODEL   34
    1   1H    MET   1           HT1      MET   1  80.991  -6.996  13.732
    2   2H    MET   1           HT3      MET   1  81.704  -8.403  14.356
    3   3H    MET   1           HT2      MET   1  80.496  -8.520  13.167
    4    HA   MET   1           HA       MET   1  79.176  -8.930  14.954
    5   1HB   MET   1           HB2      MET   1  81.356  -7.370  16.354
    6   2HB   MET   1           HB1      MET   1  79.894  -7.879  17.200
    7   1HG   MET   1           HG2      MET   1  80.918  -9.858  17.555
    8   2HG   MET   1           HG1      MET   1  80.725 -10.168  15.830
    9   1HE   MET   1           HE3      MET   1  82.164 -11.463  15.353
   10   2HE   MET   1           HE2      MET   1  83.641 -10.892  14.584
   11   3HE   MET   1           HE1      MET   1  83.725 -11.685  16.154
   12    H    ASP   2           HN       ASP   2  80.480  -5.594  14.861
   13    HA   ASP   2           HA       ASP   2  77.681  -4.593  14.570
   14   1HB   ASP   2           HB2      ASP   2  79.691  -4.066  16.729
   15   2HB   ASP   2           HB1      ASP   2  78.620  -2.750  16.247
   16    H    ASP   3           HN       ASP   3  77.613  -2.424  13.622
   17    HA   ASP   3           HA       ASP   3  78.341  -0.800  12.063
   18   1HB   ASP   3           HB2      ASP   3  80.683  -1.373  13.862
   19   2HB   ASP   3           HB1      ASP   3  80.871  -0.244  12.521
   20    H    ILE   4           HN       ILE   4  78.748  -3.850  11.581
   21    HA   ILE   4           HA       ILE   4  81.066  -3.999   9.803
   22    HB   ILE   4           HB       ILE   4  80.234  -6.279   9.465
   23   1HG1  ILE   4          HG12      ILE   4  77.770  -5.350  10.975
   24   2HG1  ILE   4          HG11      ILE   4  77.832  -5.628   9.234
   25   1HG2  ILE   4          HG22      ILE   4  80.744  -5.070  12.011
   26   2HG2  ILE   4          HG21      ILE   4  79.515  -6.318  12.227
   27   3HG2  ILE   4          HG23      ILE   4  81.072  -6.727  11.505
   28   1HD1  ILE   4          HD12      ILE   4  78.538  -7.985   9.684
   29   2HD1  ILE   4          HD11      ILE   4  78.310  -7.686  11.407
   30   3HD1  ILE   4          HD13      ILE   4  76.932  -7.616  10.310
   31    H    TYR   5           HN       TYR   5  77.873  -2.821   9.480
   32    HA   TYR   5           HA       TYR   5  77.535  -3.529   6.650
   33   1HB   TYR   5           HB2      TYR   5  76.076  -1.668   8.553
   34   2HB   TYR   5           HB1      TYR   5  75.509  -2.086   6.935
   35    HD1  TYR   5           HD2      TYR   5  74.807  -4.391   6.396
   36    HD2  TYR   5           HD1      TYR   5  75.986  -3.269  10.371
   37    HE1  TYR   5           HE2      TYR   5  73.800  -6.476   7.283
   38    HE2  TYR   5           HE1      TYR   5  74.980  -5.355  11.258
   39    HH   TYR   5           HH       TYR   5  72.867  -7.272   9.485
   40    H    LYS   6           HN       LYS   6  78.293  -0.561   8.503
   41    HA   LYS   6           HA       LYS   6  78.368   1.335   6.452
   42   1HB   LYS   6           HB2      LYS   6  79.879   2.522   7.911
   43   2HB   LYS   6           HB1      LYS   6  78.803   1.584   8.946
   44   1HG   LYS   6           HG2      LYS   6  80.570  -0.244   8.934
   45   2HG   LYS   6           HG1      LYS   6  81.651   0.923   8.169
   46   1HD   LYS   6           HD2      LYS   6  80.197   1.570  10.734
   47   2HD   LYS   6           HD1      LYS   6  81.754   0.739  10.740
   48   1HE   LYS   6           HE2      LYS   6  82.654   2.641   9.301
   49   2HE   LYS   6           HE1      LYS   6  81.143   3.504   9.655
   50   1HZ   LYS   6           HZ2      LYS   6  82.844   2.289  11.759
   51   2HZ   LYS   6           HZ1      LYS   6  83.000   3.909  11.277
   52   3HZ   LYS   6           HZ3      LYS   6  81.548   3.368  11.967
   53    H    ALA   7           HN       ALA   7  80.490  -1.385   6.962
   54    HA   ALA   7           HA       ALA   7  82.552  -0.362   5.099
   55   1HB   ALA   7           HB2      ALA   7  82.148  -2.852   6.775
   56   2HB   ALA   7           HB1      ALA   7  83.508  -2.680   5.665
   57   3HB   ALA   7           HB3      ALA   7  83.327  -1.564   7.019
   58    H    ALA   8           HN       ALA   8  79.989  -2.820   5.228
   59    HA   ALA   8           HA       ALA   8  80.574  -4.149   2.764
   60   1HB   ALA   8           HB1      ALA   8  78.903  -4.558   4.799
   61   2HB   ALA   8           HB3      ALA   8  77.771  -3.723   3.737
   62   3HB   ALA   8           HB2      ALA   8  78.551  -5.211   3.200
   63    H    VAL   9           HN       VAL   9  78.700  -1.230   3.511
   64    HA   VAL   9           HA       VAL   9  77.526  -0.879   0.907
   65    HB   VAL   9           HB       VAL   9  78.276   1.126   3.061
   66   1HG1  VAL   9          HG11      VAL   9  77.613   1.988   0.746
   67   2HG1  VAL   9          HG13      VAL   9  76.028   1.276   1.043
   68   3HG1  VAL   9          HG12      VAL   9  76.627   2.558   2.093
   69   1HG2  VAL   9          HG22      VAL   9  76.860  -0.916   3.718
   70   2HG2  VAL   9          HG21      VAL   9  76.162   0.667   4.058
   71   3HG2  VAL   9          HG23      VAL   9  75.616  -0.255   2.658
   72    H    GLU  10           HN       GLU  10  80.560   0.273   2.379
   73    HA   GLU  10           HA       GLU  10  81.342   1.921   0.126
   74   1HB   GLU  10           HB2      GLU  10  82.652   0.740   2.572
   75   2HB   GLU  10           HB1      GLU  10  83.613   1.616   1.380
   76   1HG   GLU  10           HG2      GLU  10  81.895   3.503   1.602
   77   2HG   GLU  10           HG1      GLU  10  81.307   2.654   3.033
   78    H    GLN  11           HN       GLN  11  81.532  -1.483   0.843
   79    HA   GLN  11           HA       GLN  11  83.767  -2.208  -0.797
   80   1HB   GLN  11           HB2      GLN  11  81.532  -3.435   0.636
   81   2HB   GLN  11           HB1      GLN  11  81.941  -4.317  -0.837
   82   1HG   GLN  11           HG2      GLN  11  83.238  -5.101   1.151
   83   2HG   GLN  11           HG1      GLN  11  84.269  -4.490  -0.142
   84   1HE2  GLN  11          HE22      GLN  11  84.336  -2.684   3.468
   85   2HE2  GLN  11          HE21      GLN  11  83.452  -4.105   3.186
   86    H    LEU  12           HN       LEU  12  80.565  -1.158  -1.594
   87    HA   LEU  12           HA       LEU  12  80.348  -2.463  -4.180
   88   1HB   LEU  12           HB2      LEU  12  79.036   0.027  -3.035
   89   2HB   LEU  12           HB1      LEU  12  78.460  -0.889  -4.428
   90    HG   LEU  12           HG       LEU  12  78.897  -2.281  -1.799
   91   1HD1  LEU  12          HD11      LEU  12  77.270  -0.081  -1.922
   92   2HD1  LEU  12          HD13      LEU  12  76.150  -1.363  -2.382
   93   3HD1  LEU  12          HD12      LEU  12  77.005  -1.450  -0.841
   94   1HD2  LEU  12          HD22      LEU  12  77.154  -2.682  -4.243
   95   2HD2  LEU  12          HD21      LEU  12  78.452  -3.724  -3.660
   96   3HD2  LEU  12          HD23      LEU  12  76.941  -3.611  -2.759
   97    H    THR  13           HN       THR  13  81.836  -1.986  -5.766
   98    HA   THR  13           HA       THR  13  83.575   0.175  -5.976
   99    HB   THR  13           HB       THR  13  83.176  -0.331  -8.548
  100    HG1  THR  13           HG1      THR  13  82.261  -2.612  -8.448
  101   1HG2  THR  13          HG21      THR  13  85.042  -1.152  -7.056
  102   2HG2  THR  13          HG23      THR  13  84.042  -2.560  -6.692
  103   3HG2  THR  13          HG22      THR  13  84.591  -2.270  -8.344
  104    H    GLU  14           HN       GLU  14  83.448   2.266  -6.902
  105    HA   GLU  14           HA       GLU  14  81.182   3.848  -6.589
  106   1HB   GLU  14           HB2      GLU  14  83.495   3.962  -8.540
  107   2HB   GLU  14           HB1      GLU  14  82.342   5.286  -8.367
  108   1HG   GLU  14           HG2      GLU  14  83.092   5.853  -6.267
  109   2HG   GLU  14           HG1      GLU  14  83.554   4.198  -5.869
  110    H    GLU  15           HN       GLU  15  82.028   1.803  -9.353
  111    HA   GLU  15           HA       GLU  15  79.993   2.801 -11.145
  112   1HB   GLU  15           HB2      GLU  15  80.610   0.815 -12.434
  113   2HB   GLU  15           HB1      GLU  15  82.069   1.535 -11.751
  114   1HG   GLU  15           HG2      GLU  15  81.739  -0.082  -9.778
  115   2HG   GLU  15           HG1      GLU  15  80.588  -0.926 -10.814
  116    H    GLN  16           HN       GLN  16  79.933   0.620  -8.437
  117    HA   GLN  16           HA       GLN  16  77.469  -0.757  -9.246
  118   1HB   GLN  16           HB2      GLN  16  79.391  -1.656  -7.828
  119   2HB   GLN  16           HB1      GLN  16  78.804  -0.617  -6.529
  120   1HG   GLN  16           HG2      GLN  16  77.118  -2.033  -6.042
  121   2HG   GLN  16           HG1      GLN  16  76.642  -2.152  -7.737
  122   1HE2  GLN  16          HE22      GLN  16  77.749  -5.553  -6.884
  123   2HE2  GLN  16          HE21      GLN  16  76.425  -4.539  -6.568
  124    H    LYS  17           HN       LYS  17  78.229   1.251  -6.374
  125    HA   LYS  17           HA       LYS  17  75.584   1.783  -5.571
  126   1HB   LYS  17           HB2      LYS  17  76.680   3.818  -4.520
  127   2HB   LYS  17           HB1      LYS  17  77.507   2.293  -4.201
  128   1HG   LYS  17           HG2      LYS  17  78.631   3.155  -6.595
  129   2HG   LYS  17           HG1      LYS  17  78.452   4.641  -5.662
  130   1HD   LYS  17           HD2      LYS  17  79.403   2.557  -3.927
  131   2HD   LYS  17           HD1      LYS  17  80.437   2.634  -5.354
  132   1HE   LYS  17           HE2      LYS  17  81.442   4.263  -4.015
  133   2HE   LYS  17           HE1      LYS  17  80.267   5.263  -4.892
  134   1HZ   LYS  17           HZ1      LYS  17  79.403   3.842  -2.472
  135   2HZ   LYS  17           HZ3      LYS  17  80.302   5.269  -2.293
  136   3HZ   LYS  17           HZ2      LYS  17  78.825   5.298  -3.132
  137    H    ASN  18           HN       ASN  18  77.491   3.285  -8.132
  138    HA   ASN  18           HA       ASN  18  75.860   5.620  -8.522
  139   1HB   ASN  18           HB2      ASN  18  77.950   4.065  -9.965
  140   2HB   ASN  18           HB1      ASN  18  76.976   5.170 -10.936
  141   1HD2  ASN  18          HD22      ASN  18  79.901   7.049  -9.485
  142   2HD2  ASN  18          HD21      ASN  18  79.768   5.657 -10.449
  143    H    GLU  19           HN       GLU  19  75.487   2.273  -9.491
  144    HA   GLU  19           HA       GLU  19  73.576   2.772 -11.630
  145   1HB   GLU  19           HB2      GLU  19  74.947   0.770 -11.571
  146   2HB   GLU  19           HB1      GLU  19  74.348   0.357  -9.964
  147   1HG   GLU  19           HG2      GLU  19  73.005  -0.995 -11.295
  148   2HG   GLU  19           HG1      GLU  19  71.995   0.442 -11.148
  149    H    PHE  20           HN       PHE  20  73.305   1.663  -8.237
  150    HA   PHE  20           HA       PHE  20  70.428   1.499  -8.223
  151   1HB   PHE  20           HB2      PHE  20  72.671   1.604  -6.228
  152   2HB   PHE  20           HB1      PHE  20  71.009   1.732  -5.651
  153    HD1  PHE  20           HD1      PHE  20  73.104  -0.346  -7.974
  154    HD2  PHE  20           HD2      PHE  20  69.822  -0.224  -5.205
  155    HE1  PHE  20           HE1      PHE  20  72.841  -2.803  -8.177
  156    HE2  PHE  20           HE2      PHE  20  69.559  -2.681  -5.409
  157    HZ   PHE  20           HZ       PHE  20  71.069  -3.971  -6.895
  158    H    LYS  21           HN       LYS  21  72.692   4.141  -7.794
  159    HA   LYS  21           HA       LYS  21  71.128   5.995  -6.336
  160   1HB   LYS  21           HB2      LYS  21  73.581   6.003  -7.268
  161   2HB   LYS  21           HB1      LYS  21  72.853   6.771  -8.679
  162   1HG   LYS  21           HG2      LYS  21  71.727   8.116  -6.502
  163   2HG   LYS  21           HG1      LYS  21  73.422   7.907  -6.061
  164   1HD   LYS  21           HD2      LYS  21  73.354   9.946  -7.282
  165   2HD   LYS  21           HD1      LYS  21  73.975   8.751  -8.422
  166   1HE   LYS  21           HE2      LYS  21  72.165   8.967  -9.782
  167   2HE   LYS  21           HE1      LYS  21  71.036   8.914  -8.414
  168   1HZ   LYS  21           HZ1      LYS  21  71.749  11.190  -7.847
  169   2HZ   LYS  21           HZ3      LYS  21  72.685  11.237  -9.261
  170   3HZ   LYS  21           HZ2      LYS  21  70.994  11.106  -9.367
  171    H    ALA  22           HN       ALA  22  71.293   5.507  -9.883
  172    HA   ALA  22           HA       ALA  22  69.512   7.503 -10.725
  173   1HB   ALA  22           HB2      ALA  22  70.826   5.244 -11.755
  174   2HB   ALA  22           HB1      ALA  22  69.121   4.983 -12.122
  175   3HB   ALA  22           HB3      ALA  22  69.929   6.446 -12.682
  176    H    ALA  23           HN       ALA  23  68.751   4.247  -9.478
  177    HA   ALA  23           HA       ALA  23  65.897   4.449  -9.913
  178   1HB   ALA  23           HB1      ALA  23  67.848   2.589  -8.978
  179   2HB   ALA  23           HB3      ALA  23  66.602   2.712  -7.736
  180   3HB   ALA  23           HB2      ALA  23  66.162   2.269  -9.385
  181    H    PHE  24           HN       PHE  24  67.987   4.960  -7.062
  182    HA   PHE  24           HA       PHE  24  66.119   5.480  -5.067
  183   1HB   PHE  24           HB2      PHE  24  68.399   5.502  -4.499
  184   2HB   PHE  24           HB1      PHE  24  68.811   6.606  -5.809
  185    HD1  PHE  24           HD1      PHE  24  68.189   9.023  -5.653
  186    HD2  PHE  24           HD2      PHE  24  67.681   6.317  -2.356
  187    HE1  PHE  24           HE1      PHE  24  67.983  10.948  -4.105
  188    HE2  PHE  24           HE2      PHE  24  67.474   8.243  -0.807
  189    HZ   PHE  24           HZ       PHE  24  67.627  10.558  -1.682
  190    H    ASP  25           HN       ASP  25  67.228   7.727  -7.616
  191    HA   ASP  25           HA       ASP  25  65.680   9.982  -6.666
  192   1HB   ASP  25           HB2      ASP  25  67.144   9.178  -9.169
  193   2HB   ASP  25           HB1      ASP  25  66.161  10.644  -9.167
  194    H    ILE  26           HN       ILE  26  64.793   7.086  -8.248
  195    HA   ILE  26           HA       ILE  26  62.578   8.146  -9.822
  196    HB   ILE  26           HB       ILE  26  63.279   5.357  -8.853
  197   1HG1  ILE  26          HG12      ILE  26  65.025   6.596 -10.221
  198   2HG1  ILE  26          HG11      ILE  26  64.443   5.096 -10.944
  199   1HG2  ILE  26          HG23      ILE  26  60.992   6.365 -10.224
  200   2HG2  ILE  26          HG22      ILE  26  61.943   5.435 -11.381
  201   3HG2  ILE  26          HG21      ILE  26  61.400   4.685  -9.881
  202   1HD1  ILE  26          HD11      ILE  26  63.064   7.680 -11.602
  203   2HD1  ILE  26          HD13      ILE  26  64.577   7.275 -12.411
  204   3HD1  ILE  26          HD12      ILE  26  63.182   6.206 -12.561
  205    H    PHE  27           HN       PHE  27  62.925   6.584  -6.632
  206    HA   PHE  27           HA       PHE  27  60.056   6.468  -6.141
  207   1HB   PHE  27           HB2      PHE  27  62.249   6.411  -4.066
  208   2HB   PHE  27           HB1      PHE  27  60.732   5.514  -4.083
  209    HD1  PHE  27           HD1      PHE  27  60.398   3.858  -6.100
  210    HD2  PHE  27           HD2      PHE  27  64.210   5.361  -4.806
  211    HE1  PHE  27           HE1      PHE  27  61.531   1.965  -7.233
  212    HE2  PHE  27           HE2      PHE  27  65.341   3.465  -5.935
  213    HZ   PHE  27           HZ       PHE  27  64.001   1.767  -7.149
  214    H    VAL  28           HN       VAL  28  62.597   8.829  -5.615
  215    HA   VAL  28           HA       VAL  28  60.871  10.458  -3.833
  216    HB   VAL  28           HB       VAL  28  62.967  11.752  -3.605
  217   1HG1  VAL  28          HG12      VAL  28  62.475   9.185  -2.707
  218   2HG1  VAL  28          HG11      VAL  28  64.086   9.049  -3.411
  219   3HG1  VAL  28          HG13      VAL  28  63.778  10.228  -2.137
  220   1HG2  VAL  28          HG22      VAL  28  63.535  10.466  -6.108
  221   2HG2  VAL  28          HG21      VAL  28  64.458  11.729  -5.292
  222   3HG2  VAL  28          HG23      VAL  28  64.790  10.031  -4.947
  223    H    LEU  29           HN       LEU  29  60.794  10.017  -7.011
  224    HA   LEU  29           HA       LEU  29  61.342  12.413  -8.357
  225   1HB   LEU  29           HB2      LEU  29  59.694  10.039  -8.660
  226   2HB   LEU  29           HB1      LEU  29  58.896  11.450  -9.355
  227    HG   LEU  29           HG       LEU  29  61.712  10.507  -9.969
  228   1HD1  LEU  29          HD12      LEU  29  59.194  10.623 -11.660
  229   2HD1  LEU  29          HD11      LEU  29  60.787  10.125 -12.229
  230   3HD1  LEU  29          HD13      LEU  29  59.939   9.156 -11.024
  231   1HD2  LEU  29          HD23      LEU  29  60.413  13.090 -10.244
  232   2HD2  LEU  29          HD22      LEU  29  62.090  12.650 -10.567
  233   3HD2  LEU  29          HD21      LEU  29  60.867  12.446 -11.821
  234    H    GLY  30           HN       GLY  30  58.658  11.672  -6.177
  235   1HA   GLY  30           HA2      GLY  30  57.762  14.513  -6.472
  236   2HA   GLY  30           HA1      GLY  30  56.617  13.191  -6.239
  237    H    ALA  31           HN       ALA  31  59.326  12.453  -4.465
  238    HA   ALA  31           HA       ALA  31  58.088  12.660  -1.930
  239   1HB   ALA  31           HB3      ALA  31  60.940  12.512  -2.915
  240   2HB   ALA  31           HB2      ALA  31  60.566  12.510  -1.191
  241   3HB   ALA  31           HB1      ALA  31  59.953  11.222  -2.228
  242    H    GLU  32           HN       GLU  32  58.991  14.082  -0.096
  243    HA   GLU  32           HA       GLU  32  59.152  16.906  -1.066
  244   1HB   GLU  32           HB2      GLU  32  58.201  17.447   1.092
  245   2HB   GLU  32           HB1      GLU  32  57.290  16.083   0.446
  246   1HG   GLU  32           HG2      GLU  32  57.733  15.066   2.421
  247   2HG   GLU  32           HG1      GLU  32  59.365  14.843   1.788
  248    H    ASP  33           HN       ASP  33  60.888  14.430   0.678
  249    HA   ASP  33           HA       ASP  33  62.971  16.435   1.475
  250   1HB   ASP  33           HB2      ASP  33  63.582  14.709   3.153
  251   2HB   ASP  33           HB1      ASP  33  61.885  15.171   3.295
  252    H    GLY  34           HN       GLY  34  62.316  14.275  -0.934
  253   1HA   GLY  34           HA2      GLY  34  63.714  13.367  -2.593
  254   2HA   GLY  34           HA1      GLY  34  65.084  14.129  -1.785
  255    H    CYS  35           HN       CYS  35  62.829  11.907  -0.239
  256    HA   CYS  35           HA       CYS  35  65.043   9.886  -0.060
  257   1HB   CYS  35           HB2      CYS  35  63.016  10.789   2.015
  258   2HB   CYS  35           HB1      CYS  35  64.171   9.476   2.250
  259    HG   CYS  35           HG       CYS  35  64.908  12.493   2.075
  260    H    ILE  36           HN       ILE  36  64.216   7.644   0.274
  261    HA   ILE  36           HA       ILE  36  61.701   7.212  -1.250
  262    HB   ILE  36           HB       ILE  36  63.544   5.057  -0.229
  263   1HG1  ILE  36          HG12      ILE  36  64.092   6.934  -2.553
  264   2HG1  ILE  36          HG11      ILE  36  65.081   6.739  -1.106
  265   1HG2  ILE  36          HG23      ILE  36  61.359   5.256  -2.045
  266   2HG2  ILE  36          HG22      ILE  36  62.799   4.887  -2.996
  267   3HG2  ILE  36          HG21      ILE  36  62.324   3.828  -1.665
  268   1HD1  ILE  36          HD11      ILE  36  64.520   4.570  -3.149
  269   2HD1  ILE  36          HD13      ILE  36  66.027   5.474  -3.007
  270   3HD1  ILE  36          HD12      ILE  36  65.522   4.392  -1.709
  271    H    SER  37           HN       SER  37  59.877   7.146   0.023
  272    HA   SER  37           HA       SER  37  59.893   6.629   2.855
  273   1HB   SER  37           HB2      SER  37  57.686   7.233   2.645
  274   2HB   SER  37           HB1      SER  37  58.217   7.759   1.050
  275    HG   SER  37           HG       SER  37  56.660   6.422   0.488
  276    H    THR  38           HN       THR  38  59.263   4.741   3.985
  277    HA   THR  38           HA       THR  38  59.893   2.200   2.783
  278    HB   THR  38           HB       THR  38  60.142   2.807   5.182
  279    HG1  THR  38           HG1      THR  38  58.491   0.652   4.433
  280   1HG2  THR  38          HG23      THR  38  57.913   4.097   5.129
  281   2HG2  THR  38          HG22      THR  38  57.149   2.530   5.392
  282   3HG2  THR  38          HG21      THR  38  58.276   3.172   6.586
  283    H    LYS  39           HN       LYS  39  56.929   4.028   3.158
  284    HA   LYS  39           HA       LYS  39  55.023   1.919   2.857
  285   1HB   LYS  39           HB2      LYS  39  54.656   4.311   3.575
  286   2HB   LYS  39           HB1      LYS  39  54.868   4.791   1.890
  287   1HG   LYS  39           HG2      LYS  39  52.892   3.752   1.206
  288   2HG   LYS  39           HG1      LYS  39  52.880   2.648   2.581
  289   1HD   LYS  39           HD2      LYS  39  52.739   5.520   3.276
  290   2HD   LYS  39           HD1      LYS  39  51.329   4.883   2.429
  291   1HE   LYS  39           HE2      LYS  39  51.545   2.900   4.164
  292   2HE   LYS  39           HE1      LYS  39  52.425   4.112   5.118
  293   1HZ   LYS  39           HZ1      LYS  39  49.877   4.789   3.789
  294   2HZ   LYS  39           HZ3      LYS  39  49.877   4.045   5.314
  295   3HZ   LYS  39           HZ2      LYS  39  50.627   5.556   5.107
  296    H    GLU  40           HN       GLU  40  56.985   3.696   0.517
  297    HA   GLU  40           HA       GLU  40  55.563   2.371  -1.743
  298   1HB   GLU  40           HB2      GLU  40  56.599   4.908  -1.296
  299   2HB   GLU  40           HB1      GLU  40  57.819   4.153  -2.323
  300   1HG   GLU  40           HG2      GLU  40  56.289   3.761  -4.068
  301   2HG   GLU  40           HG1      GLU  40  54.893   3.940  -3.005
  302    H    LEU  41           HN       LEU  41  58.465   2.163   0.142
  303    HA   LEU  41           HA       LEU  41  60.396   1.120  -1.567
  304   1HB   LEU  41           HB2      LEU  41  59.765   1.149   1.213
  305   2HB   LEU  41           HB1      LEU  41  60.239  -0.500   0.800
  306    HG   LEU  41           HG       LEU  41  61.823   2.020   0.214
  307   1HD1  LEU  41          HD13      LEU  41  62.296  -0.324   2.082
  308   2HD1  LEU  41          HD12      LEU  41  63.471   0.950   1.752
  309   3HD1  LEU  41          HD11      LEU  41  61.951   1.340   2.556
  310   1HD2  LEU  41          HD22      LEU  41  61.773  -0.346  -1.248
  311   2HD2  LEU  41          HD21      LEU  41  63.096   0.822  -1.229
  312   3HD2  LEU  41          HD23      LEU  41  63.134  -0.574  -0.150
  313    H    GLY  42           HN       GLY  42  57.656  -0.664  -0.104
  314   1HA   GLY  42           HA2      GLY  42  58.179  -3.249  -0.982
  315   2HA   GLY  42           HA1      GLY  42  56.545  -2.579  -0.926
  316    H    LYS  43           HN       LYS  43  56.585  -0.659  -2.867
  317    HA   LYS  43           HA       LYS  43  56.435  -2.207  -5.310
  318   1HB   LYS  43           HB2      LYS  43  56.350   0.759  -4.671
  319   2HB   LYS  43           HB1      LYS  43  55.954   0.085  -6.252
  320   1HG   LYS  43           HG2      LYS  43  54.351  -1.468  -4.813
  321   2HG   LYS  43           HG1      LYS  43  54.451  -0.125  -3.673
  322   1HD   LYS  43           HD2      LYS  43  52.712   0.677  -4.930
  323   2HD   LYS  43           HD1      LYS  43  54.027   1.261  -5.950
  324   1HE   LYS  43           HE2      LYS  43  53.302  -0.042  -7.651
  325   2HE   LYS  43           HE1      LYS  43  53.456  -1.485  -6.629
  326   1HZ   LYS  43           HZ1      LYS  43  51.199   0.428  -6.414
  327   2HZ   LYS  43           HZ3      LYS  43  51.133  -0.970  -7.372
  328   3HZ   LYS  43           HZ2      LYS  43  51.331  -1.104  -5.690
  329    H    VAL  44           HN       VAL  44  58.904  -0.289  -3.765
  330    HA   VAL  44           HA       VAL  44  60.527   0.169  -6.142
  331    HB   VAL  44           HB       VAL  44  61.129   0.220  -3.165
  332   1HG1  VAL  44          HG13      VAL  44  62.773   0.661  -5.545
  333   2HG1  VAL  44          HG12      VAL  44  62.764   2.052  -4.460
  334   3HG1  VAL  44          HG11      VAL  44  63.265   0.470  -3.863
  335   1HG2  VAL  44          HG23      VAL  44  59.867   2.123  -5.082
  336   2HG2  VAL  44          HG22      VAL  44  59.574   1.906  -3.356
  337   3HG2  VAL  44          HG21      VAL  44  60.989   2.804  -3.904
  338    H    MET  45           HN       MET  45  60.454  -2.229  -3.522
  339    HA   MET  45           HA       MET  45  62.884  -3.593  -4.364
  340   1HB   MET  45           HB2      MET  45  60.550  -4.312  -2.561
  341   2HB   MET  45           HB1      MET  45  62.023  -5.274  -2.697
  342   1HG   MET  45           HG2      MET  45  62.525  -2.415  -2.232
  343   2HG   MET  45           HG1      MET  45  61.657  -3.205  -0.916
  344   1HE   MET  45           HE3      MET  45  64.689  -2.926  -3.100
  345   2HE   MET  45           HE2      MET  45  64.944  -2.040  -1.600
  346   3HE   MET  45           HE1      MET  45  65.988  -3.402  -1.998
  347    H    ARG  46           HN       ARG  46  59.706  -3.509  -5.580
  348    HA   ARG  46           HA       ARG  46  59.590  -6.286  -6.521
  349   1HB   ARG  46           HB2      ARG  46  57.913  -3.920  -6.318
  350   2HB   ARG  46           HB1      ARG  46  57.749  -4.674  -7.904
  351   1HG   ARG  46           HG2      ARG  46  56.700  -6.499  -7.058
  352   2HG   ARG  46           HG1      ARG  46  57.790  -6.594  -5.674
  353   1HD   ARG  46           HD2      ARG  46  56.506  -5.092  -4.395
  354   2HD   ARG  46           HD1      ARG  46  55.717  -4.404  -5.828
  355    HE   ARG  46           HE       ARG  46  55.194  -7.179  -4.827
  356   1HH1  ARG  46          HH11      ARG  46  54.518  -6.215  -7.701
  357   2HH1  ARG  46          HH12      ARG  46  52.827  -5.886  -7.520
  358   1HH2  ARG  46          HH21      ARG  46  52.918  -5.925  -4.055
  359   2HH2  ARG  46          HH22      ARG  46  51.921  -5.722  -5.457
  360    H    MET  47           HN       MET  47  60.238  -3.078  -7.948
  361    HA   MET  47           HA       MET  47  60.688  -4.211 -10.621
  362   1HB   MET  47           HB2      MET  47  61.098  -1.870 -11.189
  363   2HB   MET  47           HB1      MET  47  59.686  -1.965 -10.137
  364   1HG   MET  47           HG2      MET  47  61.313  -1.571  -8.188
  365   2HG   MET  47           HG1      MET  47  62.492  -1.110  -9.415
  366   1HE   MET  47           HE3      MET  47  63.002   0.684  -9.896
  367   2HE   MET  47           HE2      MET  47  61.958   1.610 -10.971
  368   3HE   MET  47           HE1      MET  47  62.323   2.228  -9.362
  369    H    LEU  48           HN       LEU  48  62.685  -2.837  -8.000
  370    HA   LEU  48           HA       LEU  48  65.201  -2.760  -9.213
  371   1HB   LEU  48           HB2      LEU  48  64.277  -3.555  -6.442
  372   2HB   LEU  48           HB1      LEU  48  65.981  -3.318  -6.838
  373    HG   LEU  48           HG       LEU  48  63.793  -1.249  -7.203
  374   1HD1  LEU  48          HD13      LEU  48  64.522  -1.802  -4.820
  375   2HD1  LEU  48          HD12      LEU  48  66.121  -1.208  -5.270
  376   3HD1  LEU  48          HD11      LEU  48  64.733  -0.121  -5.314
  377   1HD2  LEU  48          HD21      LEU  48  66.644  -1.450  -8.030
  378   2HD2  LEU  48          HD23      LEU  48  65.315  -0.563  -8.780
  379   3HD2  LEU  48          HD22      LEU  48  66.131   0.100  -7.364
  380    H    GLY  49           HN       GLY  49  63.459  -5.592  -7.955
  381   1HA   GLY  49           HA2      GLY  49  63.996  -7.666  -9.393
  382   2HA   GLY  49           HA1      GLY  49  65.675  -7.319  -8.978
  383    H    GLN  50           HN       GLN  50  63.068  -6.846  -6.672
  384    HA   GLN  50           HA       GLN  50  63.899  -9.340  -5.240
  385   1HB   GLN  50           HB2      GLN  50  63.946  -6.463  -4.387
  386   2HB   GLN  50           HB1      GLN  50  63.623  -7.701  -3.172
  387   1HG   GLN  50           HG2      GLN  50  65.931  -7.650  -3.060
  388   2HG   GLN  50           HG1      GLN  50  65.725  -8.866  -4.322
  389   1HE2  GLN  50          HE22      GLN  50  68.135  -6.433  -5.710
  390   2HE2  GLN  50          HE21      GLN  50  68.118  -7.605  -4.482
  391    H    ASN  51           HN       ASN  51  62.269  -9.615  -3.277
  392    HA   ASN  51           HA       ASN  51  59.544  -8.631  -3.964
  393   1HB   ASN  51           HB2      ASN  51  60.251 -10.860  -5.107
  394   2HB   ASN  51           HB1      ASN  51  60.084 -11.562  -3.498
  395   1HD2  ASN  51          HD22      ASN  51  56.583 -11.731  -3.726
  396   2HD2  ASN  51          HD21      ASN  51  58.007 -12.250  -2.960
  397    HA   PRO  52           HA       PRO  52  60.545  -9.123   0.583
  398   1HB   PRO  52           HB2      PRO  52  60.444  -6.476   1.259
  399   2HB   PRO  52           HB1      PRO  52  61.933  -7.275   0.717
  400   1HG   PRO  52           HG2      PRO  52  60.090  -5.495  -0.781
  401   2HG   PRO  52           HG1      PRO  52  61.851  -5.636  -0.873
  402   1HD   PRO  52           HD2      PRO  52  60.104  -6.727  -2.698
  403   2HD   PRO  52           HD1      PRO  52  61.758  -7.312  -2.412
  404    H    THR  53           HN       THR  53  58.998  -8.586   2.367
  405    HA   THR  53           HA       THR  53  56.230  -8.250   1.309
  406    HB   THR  53           HB       THR  53  55.598  -9.411   3.321
  407    HG1  THR  53           HG1      THR  53  56.713  -9.196   5.076
  408   1HG2  THR  53          HG23      THR  53  57.207 -10.537   1.464
  409   2HG2  THR  53          HG22      THR  53  58.187 -10.795   2.907
  410   3HG2  THR  53          HG21      THR  53  56.544 -11.431   2.833
  411    HA   PRO  54           HA       PRO  54  55.691  -4.336   3.222
  412   1HB   PRO  54           HB2      PRO  54  53.179  -4.522   4.298
  413   2HB   PRO  54           HB1      PRO  54  53.477  -4.380   2.554
  414   1HG   PRO  54           HG2      PRO  54  52.842  -6.794   4.175
  415   2HG   PRO  54           HG1      PRO  54  52.290  -6.346   2.553
  416   1HD   PRO  54           HD2      PRO  54  54.260  -8.168   3.014
  417   2HD   PRO  54           HD1      PRO  54  54.169  -7.178   1.541
  418    H    GLU  55           HN       GLU  55  55.142  -7.188   5.213
  419    HA   GLU  55           HA       GLU  55  55.159  -5.789   7.766
  420   1HB   GLU  55           HB2      GLU  55  54.302  -8.175   6.955
  421   2HB   GLU  55           HB1      GLU  55  55.931  -8.665   7.420
  422   1HG   GLU  55           HG2      GLU  55  54.910  -6.962   9.474
  423   2HG   GLU  55           HG1      GLU  55  53.686  -8.182   9.121
  424    H    GLU  56           HN       GLU  56  57.583  -7.516   5.805
  425    HA   GLU  56           HA       GLU  56  59.721  -7.193   7.767
  426   1HB   GLU  56           HB2      GLU  56  59.205  -8.441   5.182
  427   2HB   GLU  56           HB1      GLU  56  60.797  -7.682   5.223
  428   1HG   GLU  56           HG2      GLU  56  60.464  -8.982   7.718
  429   2HG   GLU  56           HG1      GLU  56  59.939 -10.126   6.483
  430    H    LEU  57           HN       LEU  57  58.806  -5.596   4.710
  431    HA   LEU  57           HA       LEU  57  60.890  -3.863   4.219
  432   1HB   LEU  57           HB2      LEU  57  58.356  -4.160   3.357
  433   2HB   LEU  57           HB1      LEU  57  58.151  -2.685   4.303
  434    HG   LEU  57           HG       LEU  57  60.551  -2.356   2.844
  435   1HD1  LEU  57          HD11      LEU  57  59.615  -4.254   1.436
  436   2HD1  LEU  57          HD13      LEU  57  58.277  -3.182   1.022
  437   3HD1  LEU  57          HD12      LEU  57  59.924  -2.755   0.560
  438   1HD2  LEU  57          HD21      LEU  57  58.026  -1.064   3.298
  439   2HD2  LEU  57          HD23      LEU  57  59.543  -0.343   2.761
  440   3HD2  LEU  57          HD22      LEU  57  58.402  -0.982   1.577
  441    H    GLN  58           HN       GLN  58  58.120  -2.825   6.244
  442    HA   GLN  58           HA       GLN  58  59.291  -0.523   7.352
  443   1HB   GLN  58           HB2      GLN  58  56.910  -1.685   7.484
  444   2HB   GLN  58           HB1      GLN  58  57.545  -2.322   9.002
  445   1HG   GLN  58           HG2      GLN  58  57.212   0.579   8.208
  446   2HG   GLN  58           HG1      GLN  58  56.450  -0.268   9.555
  447   1HE2  GLN  58          HE22      GLN  58  60.298   1.078   9.928
  448   2HE2  GLN  58          HE21      GLN  58  59.539   1.082   8.409
  449    H    GLU  59           HN       GLU  59  59.161  -3.771   8.878
  450    HA   GLU  59           HA       GLU  59  60.764  -3.205  11.133
  451   1HB   GLU  59           HB2      GLU  59  59.520  -5.238  10.981
  452   2HB   GLU  59           HB1      GLU  59  60.287  -5.676   9.453
  453   1HG   GLU  59           HG2      GLU  59  62.033  -6.641  10.509
  454   2HG   GLU  59           HG1      GLU  59  62.255  -5.240  11.557
  455    H    MET  60           HN       MET  60  61.800  -4.550   7.972
  456    HA   MET  60           HA       MET  60  64.569  -4.752   8.501
  457   1HB   MET  60           HB2      MET  60  62.837  -5.171   6.405
  458   2HB   MET  60           HB1      MET  60  63.800  -3.819   5.810
  459   1HG   MET  60           HG2      MET  60  65.867  -5.065   6.275
  460   2HG   MET  60           HG1      MET  60  64.924  -6.411   6.914
  461   1HE   MET  60           HE3      MET  60  63.128  -7.476   5.820
  462   2HE   MET  60           HE2      MET  60  63.136  -7.998   4.137
  463   3HE   MET  60           HE1      MET  60  64.416  -8.531   5.224
  464    H    ILE  61           HN       ILE  61  62.739  -1.974   7.174
  465    HA   ILE  61           HA       ILE  61  65.014  -0.242   6.870
  466    HB   ILE  61           HB       ILE  61  62.036   0.199   7.209
  467   1HG1  ILE  61          HG12      ILE  61  63.470   0.766   4.675
  468   2HG1  ILE  61          HG11      ILE  61  63.397  -0.933   5.141
  469   1HG2  ILE  61          HG23      ILE  61  64.240   2.161   6.522
  470   2HG2  ILE  61          HG22      ILE  61  62.529   2.475   6.232
  471   3HG2  ILE  61          HG21      ILE  61  63.119   2.251   7.879
  472   1HD1  ILE  61          HD13      ILE  61  60.837  -0.220   5.645
  473   2HD1  ILE  61          HD12      ILE  61  61.205   0.904   4.337
  474   3HD1  ILE  61          HD11      ILE  61  61.370  -0.833   4.078
  475    H    ASP  62           HN       ASP  62  62.523  -0.433   9.445
  476    HA   ASP  62           HA       ASP  62  63.559   1.610  11.122
  477   1HB   ASP  62           HB2      ASP  62  61.359   0.634  11.408
  478   2HB   ASP  62           HB1      ASP  62  62.056  -0.962  11.687
  479    H    GLU  63           HN       GLU  63  64.677  -1.652  10.561
  480    HA   GLU  63           HA       GLU  63  66.296  -1.787  13.006
  481   1HB   GLU  63           HB2      GLU  63  65.355  -3.494  10.884
  482   2HB   GLU  63           HB1      GLU  63  67.100  -3.690  11.058
  483   1HG   GLU  63           HG2      GLU  63  65.040  -3.926  13.272
  484   2HG   GLU  63           HG1      GLU  63  65.953  -5.252  12.549
  485    H    VAL  64           HN       VAL  64  66.685  -0.590   9.764
  486    HA   VAL  64           HA       VAL  64  69.651  -0.406  10.161
  487    HB   VAL  64           HB       VAL  64  68.603  -1.663   8.195
  488   1HG1  VAL  64          HG13      VAL  64  67.154   0.752   7.994
  489   2HG1  VAL  64          HG12      VAL  64  68.233   0.719   6.601
  490   3HG1  VAL  64          HG11      VAL  64  67.110  -0.612   6.878
  491   1HG2  VAL  64          HG21      VAL  64  70.951  -0.646   8.297
  492   2HG2  VAL  64          HG23      VAL  64  70.299  -0.926   6.682
  493   3HG2  VAL  64          HG22      VAL  64  70.298   0.700   7.363
  494    H    ASP  65           HN       ASP  65  66.731   1.420   9.994
  495    HA   ASP  65           HA       ASP  65  67.498   3.882   8.881
  496   1HB   ASP  65           HB2      ASP  65  65.334   2.858  10.161
  497   2HB   ASP  65           HB1      ASP  65  65.953   3.928  11.420
  498    H    GLU  66           HN       GLU  66  69.224   5.165   9.399
  499    HA   GLU  66           HA       GLU  66  70.634   4.851  11.956
  500   1HB   GLU  66           HB2      GLU  66  71.360   5.416   9.410
  501   2HB   GLU  66           HB1      GLU  66  71.249   7.054  10.055
  502   1HG   GLU  66           HG2      GLU  66  72.583   5.828  12.080
  503   2HG   GLU  66           HG1      GLU  66  73.174   4.897  10.702
  504    H    ASP  67           HN       ASP  67  67.930   6.593  11.006
  505    HA   ASP  67           HA       ASP  67  68.417   8.640  13.147
  506   1HB   ASP  67           HB2      ASP  67  67.044  10.148  11.601
  507   2HB   ASP  67           HB1      ASP  67  68.658   9.732  11.022
  508    H    GLY  68           HN       GLY  68  66.083   6.671  11.342
  509   1HA   GLY  68           HA2      GLY  68  64.166   5.614  12.326
  510   2HA   GLY  68           HA1      GLY  68  64.302   6.707  13.705
  511    H    SER  69           HN       SER  69  64.503   8.016  10.489
  512    HA   SER  69           HA       SER  69  62.223   9.757  10.960
  513   1HB   SER  69           HB2      SER  69  62.789  10.335   8.507
  514   2HB   SER  69           HB1      SER  69  64.057  10.596   9.701
  515    HG   SER  69           HG       SER  69  64.970   9.458   8.043
  516    H    GLY  70           HN       GLY  70  62.788   6.800   9.080
  517   1HA   GLY  70           HA2      GLY  70  60.830   5.292   8.784
  518   2HA   GLY  70           HA1      GLY  70  59.853   6.734   8.509
  519    H    THR  71           HN       THR  71  62.193   7.873   6.896
  520    HA   THR  71           HA       THR  71  61.417   6.553   4.343
  521    HB   THR  71           HB       THR  71  62.170   8.634   3.357
  522    HG1  THR  71           HG1      THR  71  63.518   9.938   4.357
  523   1HG2  THR  71          HG23      THR  71  59.995   8.590   4.675
  524   2HG2  THR  71          HG22      THR  71  60.875   9.371   5.988
  525   3HG2  THR  71          HG21      THR  71  60.704  10.187   4.434
  526    H    VAL  72           HN       VAL  72  62.998   5.726   2.910
  527    HA   VAL  72           HA       VAL  72  65.634   5.109   4.161
  528    HB   VAL  72           HB       VAL  72  64.406   3.992   1.628
  529   1HG1  VAL  72          HG13      VAL  72  66.854   3.595   2.305
  530   2HG1  VAL  72          HG12      VAL  72  66.210   2.645   3.643
  531   3HG1  VAL  72          HG11      VAL  72  65.880   2.161   1.980
  532   1HG2  VAL  72          HG21      VAL  72  63.768   3.459   4.509
  533   2HG2  VAL  72          HG23      VAL  72  62.694   3.467   3.110
  534   3HG2  VAL  72          HG22      VAL  72  63.776   2.100   3.385
  535    H    ASP  73           HN       ASP  73  67.112   6.711   3.646
  536    HA   ASP  73           HA       ASP  73  67.007   8.036   0.998
  537   1HB   ASP  73           HB2      ASP  73  68.782   9.443   2.060
  538   2HB   ASP  73           HB1      ASP  73  67.316   9.353   3.037
  539    H    PHE  74           HN       PHE  74  69.214   8.336  -0.106
  540    HA   PHE  74           HA       PHE  74  70.283   5.986  -1.117
  541   1HB   PHE  74           HB2      PHE  74  70.655   8.493  -1.680
  542   2HB   PHE  74           HB1      PHE  74  71.981   8.411  -0.520
  543    HD1  PHE  74           HD2      PHE  74  70.710   5.919  -3.017
  544    HD2  PHE  74           HD1      PHE  74  73.989   8.375  -1.722
  545    HE1  PHE  74           HE2      PHE  74  72.162   4.896  -4.747
  546    HE2  PHE  74           HE1      PHE  74  75.440   7.352  -3.454
  547    HZ   PHE  74           HZ       PHE  74  74.526   5.612  -4.966
  548    H    ASP  75           HN       ASP  75  71.021   7.507   1.969
  549    HA   ASP  75           HA       ASP  75  73.436   5.991   2.512
  550   1HB   ASP  75           HB2      ASP  75  71.966   8.137   3.585
  551   2HB   ASP  75           HB1      ASP  75  71.957   6.898   4.841
  552    H    GLU  76           HN       GLU  76  70.102   5.745   3.823
  553    HA   GLU  76           HA       GLU  76  70.653   3.187   5.116
  554   1HB   GLU  76           HB2      GLU  76  68.117   4.746   4.523
  555   2HB   GLU  76           HB1      GLU  76  68.202   3.346   5.593
  556   1HG   GLU  76           HG2      GLU  76  69.770   4.510   7.058
  557   2HG   GLU  76           HG1      GLU  76  69.810   5.891   5.960
  558    H    PHE  77           HN       PHE  77  68.900   4.223   2.181
  559    HA   PHE  77           HA       PHE  77  67.661   1.870   1.376
  560   1HB   PHE  77           HB2      PHE  77  67.669   4.092   0.226
  561   2HB   PHE  77           HB1      PHE  77  69.299   3.749  -0.357
  562    HD1  PHE  77           HD2      PHE  77  66.318   1.514  -0.005
  563    HD2  PHE  77           HD1      PHE  77  69.123   3.377  -2.672
  564    HE1  PHE  77           HE2      PHE  77  65.370   0.227  -1.900
  565    HE2  PHE  77           HE1      PHE  77  68.175   2.090  -4.568
  566    HZ   PHE  77           HZ       PHE  77  66.298   0.516  -4.182
  567    H    LEU  78           HN       LEU  78  71.120   2.664   1.127
  568    HA   LEU  78           HA       LEU  78  71.815   0.271  -0.367
  569   1HB   LEU  78           HB2      LEU  78  73.138   2.571   0.975
  570   2HB   LEU  78           HB1      LEU  78  74.127   1.126   0.752
  571    HG   LEU  78           HG       LEU  78  72.555   2.496  -1.449
  572   1HD1  LEU  78          HD11      LEU  78  75.243   2.933  -0.332
  573   2HD1  LEU  78          HD13      LEU  78  75.231   2.677  -2.077
  574   3HD1  LEU  78          HD12      LEU  78  74.274   3.978  -1.370
  575   1HD2  LEU  78          HD22      LEU  78  74.479   0.157  -1.376
  576   2HD2  LEU  78          HD21      LEU  78  72.811   0.161  -1.945
  577   3HD2  LEU  78          HD23      LEU  78  74.058   0.999  -2.867
  578    H    VAL  79           HN       VAL  79  72.474   1.240   3.032
  579    HA   VAL  79           HA       VAL  79  73.585  -1.126   4.000
  580    HB   VAL  79           HB       VAL  79  71.516   0.633   5.362
  581   1HG1  VAL  79          HG11      VAL  79  72.255  -1.526   6.500
  582   2HG1  VAL  79          HG13      VAL  79  73.875  -0.831   6.569
  583   3HG1  VAL  79          HG12      VAL  79  72.541  -0.047   7.417
  584   1HG2  VAL  79          HG21      VAL  79  74.424   1.013   4.699
  585   2HG2  VAL  79          HG23      VAL  79  73.100   2.173   4.601
  586   3HG2  VAL  79          HG22      VAL  79  73.769   1.729   6.171
  587    H    MET  80           HN       MET  80  70.104  -0.371   3.651
  588    HA   MET  80           HA       MET  80  69.092  -2.801   4.759
  589   1HB   MET  80           HB2      MET  80  68.172  -0.441   3.474
  590   2HB   MET  80           HB1      MET  80  67.485  -1.799   2.582
  591   1HG   MET  80           HG2      MET  80  67.338  -2.341   5.406
  592   2HG   MET  80           HG1      MET  80  66.621  -0.765   5.074
  593   1HE   MET  80           HE1      MET  80  65.714  -0.970   2.169
  594   2HE   MET  80           HE3      MET  80  64.029  -1.482   2.327
  595   3HE   MET  80           HE2      MET  80  64.704  -0.302   3.447
  596    H    MET  81           HN       MET  81  69.991  -1.920   1.420
  597    HA   MET  81           HA       MET  81  69.216  -4.409   0.202
  598   1HB   MET  81           HB2      MET  81  70.921  -2.031  -0.430
  599   2HB   MET  81           HB1      MET  81  71.096  -3.459  -1.449
  600   1HG   MET  81           HG2      MET  81  68.681  -3.456  -1.900
  601   2HG   MET  81           HG1      MET  81  68.474  -2.055  -0.848
  602   1HE   MET  81           HE3      MET  81  67.168  -1.232  -3.016
  603   2HE   MET  81           HE2      MET  81  67.928  -0.839  -4.555
  604   3HE   MET  81           HE1      MET  81  67.747  -2.525  -4.074
  605    H    VAL  82           HN       VAL  82  72.498  -3.184   1.008
  606    HA   VAL  82           HA       VAL  82  73.959  -5.528   0.497
  607    HB   VAL  82           HB       VAL  82  74.950  -3.356   1.017
  608   1HG1  VAL  82          HG12      VAL  82  73.174  -2.754   2.715
  609   2HG1  VAL  82          HG11      VAL  82  74.014  -3.791   3.866
  610   3HG1  VAL  82          HG13      VAL  82  74.820  -2.365   3.212
  611   1HG2  VAL  82          HG21      VAL  82  75.721  -5.836   2.248
  612   2HG2  VAL  82          HG23      VAL  82  76.756  -4.521   1.691
  613   3HG2  VAL  82          HG22      VAL  82  76.124  -4.508   3.338
  614    H    ARG  83           HN       ARG  83  72.006  -4.685   3.330
  615    HA   ARG  83           HA       ARG  83  72.866  -6.726   5.115
  616   1HB   ARG  83           HB2      ARG  83  70.543  -4.941   4.693
  617   2HB   ARG  83           HB1      ARG  83  70.196  -6.388   5.640
  618   1HG   ARG  83           HG2      ARG  83  72.030  -5.860   7.175
  619   2HG   ARG  83           HG1      ARG  83  72.460  -4.451   6.205
  620   1HD   ARG  83           HD2      ARG  83  70.938  -3.204   7.324
  621   2HD   ARG  83           HD1      ARG  83  69.650  -4.326   6.843
  622    HE   ARG  83           HE       ARG  83  70.796  -5.767   8.804
  623   1HH1  ARG  83          HH21      ARG  83  71.877  -2.827   9.396
  624   2HH1  ARG  83          HH22      ARG  83  70.869  -2.445  10.751
  625   1HH2  ARG  83          HH11      ARG  83  68.705  -5.104  10.228
  626   2HH2  ARG  83          HH12      ARG  83  69.072  -3.733  11.222
  627    H    CYS  84           HN       CYS  84  69.939  -6.763   3.036
  628    HA   CYS  84           HA       CYS  84  69.488  -9.598   3.373
  629   1HB   CYS  84           HB2      CYS  84  68.384  -7.281   1.935
  630   2HB   CYS  84           HB1      CYS  84  68.186  -8.802   1.064
  631    HG   CYS  84           HG       CYS  84  66.504  -9.530   2.734
  632    H    MET  85           HN       MET  85  71.655  -7.787   1.417
  633    HA   MET  85           HA       MET  85  71.839  -9.539  -0.870
  634   1HB   MET  85           HB2      MET  85  73.249  -7.249   0.356
  635   2HB   MET  85           HB1      MET  85  74.274  -8.294  -0.627
  636   1HG   MET  85           HG2      MET  85  72.283  -8.142  -2.345
  637   2HG   MET  85           HG1      MET  85  71.883  -6.678  -1.447
  638   1HE   MET  85           HE2      MET  85  72.180  -4.926  -2.206
  639   2HE   MET  85           HE1      MET  85  73.748  -4.183  -1.899
  640   3HE   MET  85           HE3      MET  85  73.186  -4.417  -3.559
  641    H    LYS  86           HN       LYS  86  74.611 -10.097  -0.979
  642    HA   LYS  86           HA       LYS  86  76.178 -11.739  -0.315
  643   1HB   LYS  86           HB2      LYS  86  75.071 -10.458   2.064
  644   2HB   LYS  86           HB1      LYS  86  75.590 -12.111   2.394
  645   1HG   LYS  86           HG2      LYS  86  77.649 -11.146   0.831
  646   2HG   LYS  86           HG1      LYS  86  77.204  -9.734   1.788
  647   1HD   LYS  86           HD2      LYS  86  77.263 -12.172   3.393
  648   2HD   LYS  86           HD1      LYS  86  78.821 -11.835   2.639
  649   1HE   LYS  86           HE2      LYS  86  78.179  -9.338   3.492
  650   2HE   LYS  86           HE1      LYS  86  77.381 -10.313   4.743
  651   1HZ   LYS  86           HZ3      LYS  86  79.477 -11.636   4.860
  652   2HZ   LYS  86           HZ2      LYS  86  80.215 -10.470   3.869
  653   3HZ   LYS  86           HZ1      LYS  86  79.635 -10.038   5.406
  654    H    ASP  87           HN       ASP  87  75.953 -13.864   1.462
  655    HA   ASP  87           HA       ASP  87  73.434 -15.261   0.625
  656   1HB   ASP  87           HB2      ASP  87  74.837 -17.223   0.129
  657   2HB   ASP  87           HB1      ASP  87  75.394 -15.832  -0.801
  658    H    ASP  88           HN       ASP  88  72.779 -14.711   2.902
  659    HA   ASP  88           HA       ASP  88  73.968 -16.662   4.844
  660   1HB   ASP  88           HB2      ASP  88  73.367 -13.718   5.072
  661   2HB   ASP  88           HB1      ASP  88  73.374 -14.733   6.515
  662    H    SER  89           HN       SER  89  71.141 -14.669   3.967
  663    HA   SER  89           HA       SER  89  69.391 -16.794   5.133
  664   1HB   SER  89           HB2      SER  89  68.005 -14.836   6.033
  665   2HB   SER  89           HB1      SER  89  69.544 -15.121   6.839
  666    HG   SER  89           HG       SER  89  68.703 -13.002   5.313
   
  No H/Q in entry =         666
  Start of MODEL   35
    1   1H    MET   1           HT1      MET   1  76.498  -5.207  16.147
    2   2H    MET   1           HT3      MET   1  75.217  -4.290  16.773
    3   3H    MET   1           HT2      MET   1  74.966  -5.284  15.418
    4    HA   MET   1           HA       MET   1  75.883  -3.814  13.971
    5   1HB   MET   1           HB2      MET   1  75.275  -2.045  16.359
    6   2HB   MET   1           HB1      MET   1  75.154  -1.600  14.657
    7   1HG   MET   1           HG2      MET   1  73.263  -2.949  14.307
    8   2HG   MET   1           HG1      MET   1  73.582  -3.930  15.736
    9   1HE   MET   1           HE2      MET   1  71.300  -2.552  14.387
   10   2HE   MET   1           HE1      MET   1  70.281  -2.469  15.822
   11   3HE   MET   1           HE3      MET   1  70.748  -0.986  14.977
   12    H    ASP   2           HN       ASP   2  78.180  -4.646  14.236
   13    HA   ASP   2           HA       ASP   2  79.962  -2.974  15.913
   14   1HB   ASP   2           HB2      ASP   2  79.876  -5.630  14.937
   15   2HB   ASP   2           HB1      ASP   2  81.263  -4.868  14.157
   16    H    ASP   3           HN       ASP   3  78.651  -1.579  13.755
   17    HA   ASP   3           HA       ASP   3  79.179  -0.149  11.945
   18   1HB   ASP   3           HB2      ASP   3  81.753  -0.640  13.430
   19   2HB   ASP   3           HB1      ASP   3  81.747   0.375  11.986
   20    H    ILE   4           HN       ILE   4  79.493  -3.264  11.742
   21    HA   ILE   4           HA       ILE   4  81.508  -3.643   9.662
   22    HB   ILE   4           HB       ILE   4  80.623  -5.916   9.681
   23   1HG1  ILE   4          HG12      ILE   4  78.339  -4.733  11.295
   24   2HG1  ILE   4          HG11      ILE   4  78.227  -5.318   9.634
   25   1HG2  ILE   4          HG21      ILE   4  81.731  -4.664  11.833
   26   2HG2  ILE   4          HG23      ILE   4  80.234  -5.269  12.543
   27   3HG2  ILE   4          HG22      ILE   4  81.367  -6.388  11.786
   28   1HD1  ILE   4          HD13      ILE   4  79.430  -7.287  11.432
   29   2HD1  ILE   4          HD12      ILE   4  77.795  -6.840  11.919
   30   3HD1  ILE   4          HD11      ILE   4  78.090  -7.474  10.300
   31    H    TYR   5           HN       TYR   5  78.169  -2.679   9.763
   32    HA   TYR   5           HA       TYR   5  77.550  -3.454   7.008
   33   1HB   TYR   5           HB2      TYR   5  76.222  -1.731   9.118
   34   2HB   TYR   5           HB1      TYR   5  75.492  -2.069   7.549
   35    HD1  TYR   5           HD2      TYR   5  76.660  -3.587  10.724
   36    HD2  TYR   5           HD1      TYR   5  74.561  -4.226   7.031
   37    HE1  TYR   5           HE2      TYR   5  75.831  -5.765  11.571
   38    HE2  TYR   5           HE1      TYR   5  73.732  -6.403   7.878
   39    HH   TYR   5           HH       TYR   5  74.427  -8.100   9.578
   40    H    LYS   6           HN       LYS   6  78.069  -0.325   8.693
   41    HA   LYS   6           HA       LYS   6  77.825   1.452   6.570
   42   1HB   LYS   6           HB2      LYS   6  79.350   2.862   7.862
   43   2HB   LYS   6           HB1      LYS   6  78.330   1.952   8.974
   44   1HG   LYS   6           HG2      LYS   6  80.065   0.565   9.650
   45   2HG   LYS   6           HG1      LYS   6  80.956   0.771   8.143
   46   1HD   LYS   6           HD2      LYS   6  80.796   3.347   9.235
   47   2HD   LYS   6           HD1      LYS   6  81.154   2.296  10.605
   48   1HE   LYS   6           HE2      LYS   6  82.853   1.265   8.726
   49   2HE   LYS   6           HE1      LYS   6  82.851   2.984   8.283
   50   1HZ   LYS   6           HZ3      LYS   6  83.097   3.455  10.719
   51   2HZ   LYS   6           HZ2      LYS   6  83.407   1.801  10.946
   52   3HZ   LYS   6           HZ1      LYS   6  84.452   2.741   9.992
   53    H    ALA   7           HN       ALA   7  80.329  -0.938   7.073
   54    HA   ALA   7           HA       ALA   7  82.154   0.232   5.083
   55   1HB   ALA   7           HB2      ALA   7  82.265  -1.574   7.243
   56   2HB   ALA   7           HB1      ALA   7  82.622  -2.539   5.811
   57   3HB   ALA   7           HB3      ALA   7  83.598  -1.119   6.183
   58    H    ALA   8           HN       ALA   8  79.969  -2.588   5.312
   59    HA   ALA   8           HA       ALA   8  80.471  -3.816   2.833
   60   1HB   ALA   8           HB3      ALA   8  78.688  -4.041   4.928
   61   2HB   ALA   8           HB2      ALA   8  77.632  -3.589   3.590
   62   3HB   ALA   8           HB1      ALA   8  78.646  -5.027   3.467
   63    H    VAL   9           HN       VAL   9  78.379  -1.016   3.558
   64    HA   VAL   9           HA       VAL   9  77.387  -0.733   0.846
   65    HB   VAL   9           HB       VAL   9  77.484   0.954   3.350
   66   1HG1  VAL   9          HG11      VAL   9  76.472   1.704   0.600
   67   2HG1  VAL   9          HG13      VAL   9  75.867   2.474   2.066
   68   3HG1  VAL   9          HG12      VAL   9  77.572   2.612   1.637
   69   1HG2  VAL   9          HG22      VAL   9  75.681  -0.968   2.120
   70   2HG2  VAL   9          HG21      VAL   9  75.640  -0.288   3.747
   71   3HG2  VAL   9          HG23      VAL   9  74.867   0.568   2.414
   72    H    GLU  10           HN       GLU  10  80.249   0.337   2.557
   73    HA   GLU  10           HA       GLU  10  80.953   2.401   0.591
   74   1HB   GLU  10           HB2      GLU  10  81.470   1.994   3.208
   75   2HB   GLU  10           HB1      GLU  10  82.920   1.267   2.516
   76   1HG   GLU  10           HG2      GLU  10  81.905   4.041   1.844
   77   2HG   GLU  10           HG1      GLU  10  83.198   3.702   2.996
   78    H    GLN  11           HN       GLN  11  81.651  -1.001   1.151
   79    HA   GLN  11           HA       GLN  11  83.932  -1.036  -0.712
   80   1HB   GLN  11           HB2      GLN  11  82.642  -2.740   1.286
   81   2HB   GLN  11           HB1      GLN  11  83.129  -3.644  -0.149
   82   1HG   GLN  11           HG2      GLN  11  85.311  -3.489   0.397
   83   2HG   GLN  11           HG1      GLN  11  85.185  -1.747   0.649
   84   1HE2  GLN  11          HE22      GLN  11  86.021  -3.119   3.969
   85   2HE2  GLN  11          HE21      GLN  11  86.797  -2.896   2.475
   86    H    LEU  12           HN       LEU  12  80.696  -0.757  -1.222
   87    HA   LEU  12           HA       LEU  12  79.991  -2.793  -3.071
   88   1HB   LEU  12           HB2      LEU  12  79.269   0.150  -2.892
   89   2HB   LEU  12           HB1      LEU  12  78.400  -1.020  -3.885
   90    HG   LEU  12           HG       LEU  12  78.745  -1.144  -0.874
   91   1HD1  LEU  12          HD11      LEU  12  76.355  -0.592  -2.657
   92   2HD1  LEU  12          HD13      LEU  12  76.253  -0.870  -0.919
   93   3HD1  LEU  12          HD12      LEU  12  77.117   0.537  -1.538
   94   1HD2  LEU  12          HD21      LEU  12  77.899  -3.112  -2.919
   95   2HD2  LEU  12          HD23      LEU  12  78.524  -3.379  -1.292
   96   3HD2  LEU  12          HD22      LEU  12  76.825  -2.971  -1.527
   97    H    THR  13           HN       THR  13  79.435  -1.638  -5.503
   98    HA   THR  13           HA       THR  13  82.159  -0.987  -6.583
   99    HB   THR  13           HB       THR  13  81.259  -2.088  -8.653
  100    HG1  THR  13           HG1      THR  13  79.162  -3.079  -7.094
  101   1HG2  THR  13          HG22      THR  13  82.551  -3.381  -6.998
  102   2HG2  THR  13          HG21      THR  13  81.064  -3.743  -6.122
  103   3HG2  THR  13          HG23      THR  13  81.306  -4.378  -7.749
  104    H    GLU  14           HN       GLU  14  82.132   0.461  -8.508
  105    HA   GLU  14           HA       GLU  14  80.493   2.796  -8.128
  106   1HB   GLU  14           HB2      GLU  14  82.804   2.036  -9.493
  107   2HB   GLU  14           HB1      GLU  14  81.672   2.446 -10.783
  108   1HG   GLU  14           HG2      GLU  14  82.771   4.490 -10.218
  109   2HG   GLU  14           HG1      GLU  14  81.173   4.585  -9.477
  110    H    GLU  15           HN       GLU  15  80.546   0.444 -10.844
  111    HA   GLU  15           HA       GLU  15  78.352   1.317 -12.313
  112   1HB   GLU  15           HB2      GLU  15  78.097  -1.152 -12.847
  113   2HB   GLU  15           HB1      GLU  15  79.745  -0.541 -12.992
  114   1HG   GLU  15           HG2      GLU  15  80.403  -1.514 -10.928
  115   2HG   GLU  15           HG1      GLU  15  78.733  -1.786 -10.433
  116    H    GLN  16           HN       GLN  16  78.352  -0.353  -9.210
  117    HA   GLN  16           HA       GLN  16  75.491  -0.925  -9.199
  118   1HB   GLN  16           HB2      GLN  16  76.951  -2.314  -7.918
  119   2HB   GLN  16           HB1      GLN  16  77.740  -0.922  -7.174
  120   1HG   GLN  16           HG2      GLN  16  75.990  -0.536  -5.707
  121   2HG   GLN  16           HG1      GLN  16  74.792  -1.256  -6.784
  122   1HE2  GLN  16          HE22      GLN  16  74.925  -4.069  -4.625
  123   2HE2  GLN  16          HE21      GLN  16  73.987  -2.766  -5.180
  124    H    LYS  17           HN       LYS  17  77.582   1.480  -7.559
  125    HA   LYS  17           HA       LYS  17  75.372   2.893  -6.321
  126   1HB   LYS  17           HB2      LYS  17  78.312   3.303  -6.796
  127   2HB   LYS  17           HB1      LYS  17  77.345   4.647  -6.186
  128   1HG   LYS  17           HG2      LYS  17  77.149   3.713  -4.133
  129   2HG   LYS  17           HG1      LYS  17  76.802   2.118  -4.802
  130   1HD   LYS  17           HD2      LYS  17  78.926   2.109  -3.539
  131   2HD   LYS  17           HD1      LYS  17  79.201   1.774  -5.249
  132   1HE   LYS  17           HE2      LYS  17  79.862   4.109  -5.632
  133   2HE   LYS  17           HE1      LYS  17  79.528   4.497  -3.933
  134   1HZ   LYS  17           HZ1      LYS  17  81.393   2.357  -4.803
  135   2HZ   LYS  17           HZ3      LYS  17  81.895   3.923  -4.389
  136   3HZ   LYS  17           HZ2      LYS  17  81.157   2.932  -3.222
  137    H    ASN  18           HN       ASN  18  77.114   3.178  -9.380
  138    HA   ASN  18           HA       ASN  18  76.270   5.787 -10.161
  139   1HB   ASN  18           HB2      ASN  18  77.389   3.329 -11.341
  140   2HB   ASN  18           HB1      ASN  18  76.461   4.306 -12.480
  141   1HD2  ASN  18          HD22      ASN  18  80.030   5.689 -11.060
  142   2HD2  ASN  18          HD21      ASN  18  79.342   4.276 -10.421
  143    H    GLU  19           HN       GLU  19  74.773   2.588 -10.715
  144    HA   GLU  19           HA       GLU  19  72.466   3.758 -12.095
  145   1HB   GLU  19           HB2      GLU  19  73.761   1.267 -11.852
  146   2HB   GLU  19           HB1      GLU  19  72.157   1.032 -11.155
  147   1HG   GLU  19           HG2      GLU  19  71.435   0.794 -13.286
  148   2HG   GLU  19           HG1      GLU  19  71.637   2.541 -13.420
  149    H    PHE  20           HN       PHE  20  73.195   2.499  -8.858
  150    HA   PHE  20           HA       PHE  20  70.579   2.318  -7.798
  151   1HB   PHE  20           HB2      PHE  20  73.341   2.841  -6.770
  152   2HB   PHE  20           HB1      PHE  20  71.988   3.050  -5.657
  153    HD1  PHE  20           HD1      PHE  20  72.025   0.659  -8.484
  154    HD2  PHE  20           HD2      PHE  20  72.427   1.149  -4.236
  155    HE1  PHE  20           HE1      PHE  20  71.887  -1.800  -8.188
  156    HE2  PHE  20           HE2      PHE  20  72.289  -1.309  -3.940
  157    HZ   PHE  20           HZ       PHE  20  72.019  -2.784  -5.915
  158    H    LYS  21           HN       LYS  21  72.732   5.148  -8.082
  159    HA   LYS  21           HA       LYS  21  71.130   7.006  -6.626
  160   1HB   LYS  21           HB2      LYS  21  73.384   7.544  -7.184
  161   2HB   LYS  21           HB1      LYS  21  73.118   7.207  -8.895
  162   1HG   LYS  21           HG2      LYS  21  72.327   9.288  -9.286
  163   2HG   LYS  21           HG1      LYS  21  71.295   9.246  -7.855
  164   1HD   LYS  21           HD2      LYS  21  72.811  10.934  -7.297
  165   2HD   LYS  21           HD1      LYS  21  73.555   9.519  -6.552
  166   1HE   LYS  21           HE2      LYS  21  74.969   9.225  -8.597
  167   2HE   LYS  21           HE1      LYS  21  74.286  10.730  -9.242
  168   1HZ   LYS  21           HZ3      LYS  21  74.981  11.848  -7.187
  169   2HZ   LYS  21           HZ2      LYS  21  75.723  10.413  -6.659
  170   3HZ   LYS  21           HZ1      LYS  21  76.306  11.218  -8.038
  171    H    ALA  22           HN       ALA  22  71.338   6.560 -10.184
  172    HA   ALA  22           HA       ALA  22  69.337   8.288 -11.032
  173   1HB   ALA  22           HB1      ALA  22  70.229   5.539 -11.901
  174   2HB   ALA  22           HB3      ALA  22  68.971   6.397 -12.794
  175   3HB   ALA  22           HB2      ALA  22  70.584   7.097 -12.649
  176    H    ALA  23           HN       ALA  23  68.828   4.868 -10.066
  177    HA   ALA  23           HA       ALA  23  65.961   4.966 -10.223
  178   1HB   ALA  23           HB3      ALA  23  68.054   3.137  -9.633
  179   2HB   ALA  23           HB2      ALA  23  66.945   3.093  -8.263
  180   3HB   ALA  23           HB1      ALA  23  66.349   2.765  -9.890
  181    H    PHE  24           HN       PHE  24  68.267   5.611  -7.600
  182    HA   PHE  24           HA       PHE  24  66.565   5.731  -5.374
  183   1HB   PHE  24           HB2      PHE  24  69.042   6.016  -5.428
  184   2HB   PHE  24           HB1      PHE  24  68.822   7.614  -6.139
  185    HD1  PHE  24           HD2      PHE  24  67.572   9.386  -4.838
  186    HD2  PHE  24           HD1      PHE  24  68.796   5.661  -3.086
  187    HE1  PHE  24           HE2      PHE  24  67.280  10.356  -2.574
  188    HE2  PHE  24           HE1      PHE  24  68.504   6.631  -0.822
  189    HZ   PHE  24           HZ       PHE  24  67.746   8.977  -0.567
  190    H    ASP  25           HN       ASP  25  67.184   8.248  -7.828
  191    HA   ASP  25           HA       ASP  25  65.445  10.224  -6.624
  192   1HB   ASP  25           HB2      ASP  25  67.218   9.881  -8.878
  193   2HB   ASP  25           HB1      ASP  25  65.725  10.654  -9.410
  194    H    ILE  26           HN       ILE  26  64.779   7.334  -8.313
  195    HA   ILE  26           HA       ILE  26  62.330   8.277  -9.636
  196    HB   ILE  26           HB       ILE  26  63.580   5.559  -9.169
  197   1HG1  ILE  26          HG12      ILE  26  63.631   7.602 -11.391
  198   2HG1  ILE  26          HG11      ILE  26  64.990   6.796 -10.612
  199   1HG2  ILE  26          HG22      ILE  26  61.003   5.754  -9.576
  200   2HG2  ILE  26          HG21      ILE  26  61.471   6.177 -11.223
  201   3HG2  ILE  26          HG23      ILE  26  61.937   4.616 -10.547
  202   1HD1  ILE  26          HD11      ILE  26  64.298   4.653 -11.619
  203   2HD1  ILE  26          HD13      ILE  26  62.938   5.461 -12.397
  204   3HD1  ILE  26          HD12      ILE  26  64.589   5.870 -12.862
  205    H    PHE  27           HN       PHE  27  63.189   6.520  -6.665
  206    HA   PHE  27           HA       PHE  27  60.407   5.865  -6.027
  207   1HB   PHE  27           HB2      PHE  27  62.870   5.856  -4.262
  208   2HB   PHE  27           HB1      PHE  27  61.414   4.880  -4.067
  209    HD1  PHE  27           HD1      PHE  27  60.778   3.369  -6.147
  210    HD2  PHE  27           HD2      PHE  27  64.705   4.930  -5.372
  211    HE1  PHE  27           HE1      PHE  27  61.764   1.606  -7.590
  212    HE2  PHE  27           HE2      PHE  27  65.690   3.171  -6.815
  213    HZ   PHE  27           HZ       PHE  27  64.220   1.510  -7.924
  214    H    VAL  28           HN       VAL  28  62.722   8.407  -5.167
  215    HA   VAL  28           HA       VAL  28  61.083   9.505  -3.018
  216    HB   VAL  28           HB       VAL  28  62.830  11.233  -3.054
  217   1HG1  VAL  28          HG11      VAL  28  63.188   8.678  -2.358
  218   2HG1  VAL  28          HG13      VAL  28  64.363   8.748  -3.671
  219   3HG1  VAL  28          HG12      VAL  28  64.509   9.845  -2.297
  220   1HG2  VAL  28          HG22      VAL  28  62.920  11.340  -5.581
  221   2HG2  VAL  28          HG21      VAL  28  64.500  11.314  -4.797
  222   3HG2  VAL  28          HG23      VAL  28  63.862   9.850  -5.544
  223    H    LEU  29           HN       LEU  29  60.556   9.451  -6.277
  224    HA   LEU  29           HA       LEU  29  60.065  12.040  -7.184
  225   1HB   LEU  29           HB2      LEU  29  59.427   9.407  -7.878
  226   2HB   LEU  29           HB1      LEU  29  57.863  10.212  -7.753
  227    HG   LEU  29           HG       LEU  29  59.027  12.111  -9.133
  228   1HD1  LEU  29          HD12      LEU  29  61.104  10.168  -8.970
  229   2HD1  LEU  29          HD11      LEU  29  60.558  10.217 -10.646
  230   3HD1  LEU  29          HD13      LEU  29  61.115  11.692  -9.857
  231   1HD2  LEU  29          HD21      LEU  29  57.213  10.340  -9.791
  232   2HD2  LEU  29          HD23      LEU  29  58.055  11.212 -11.071
  233   3HD2  LEU  29          HD22      LEU  29  58.536   9.566 -10.662
  234    H    GLY  30           HN       GLY  30  59.327  13.483  -5.561
  235   1HA   GLY  30           HA2      GLY  30  57.218  14.615  -4.933
  236   2HA   GLY  30           HA1      GLY  30  56.512  13.019  -4.670
  237    H    ALA  31           HN       ALA  31  59.393  12.450  -3.460
  238    HA   ALA  31           HA       ALA  31  58.718  12.384  -0.748
  239   1HB   ALA  31           HB2      ALA  31  61.235  12.537  -2.354
  240   2HB   ALA  31           HB1      ALA  31  61.370  12.718  -0.605
  241   3HB   ALA  31           HB3      ALA  31  60.666  11.252  -1.288
  242    H    GLU  32           HN       GLU  32  60.040  13.790   0.961
  243    HA   GLU  32           HA       GLU  32  59.465  16.658   0.325
  244   1HB   GLU  32           HB2      GLU  32  59.002  16.877   2.660
  245   2HB   GLU  32           HB1      GLU  32  58.283  15.337   2.188
  246   1HG   GLU  32           HG2      GLU  32  60.334  14.167   2.976
  247   2HG   GLU  32           HG1      GLU  32  60.985  15.716   3.513
  248    H    ASP  33           HN       ASP  33  61.975  14.409   1.204
  249    HA   ASP  33           HA       ASP  33  63.925  16.681   1.301
  250   1HB   ASP  33           HB2      ASP  33  65.059  15.219   3.107
  251   2HB   ASP  33           HB1      ASP  33  63.588  16.071   3.575
  252    H    GLY  34           HN       GLY  34  63.002  14.178  -0.488
  253   1HA   GLY  34           HA2      GLY  34  64.174  13.036  -2.197
  254   2HA   GLY  34           HA1      GLY  34  65.674  13.733  -1.581
  255    H    CYS  35           HN       CYS  35  63.165  11.468  -0.381
  256    HA   CYS  35           HA       CYS  35  65.365   9.567   0.324
  257   1HB   CYS  35           HB2      CYS  35  63.320  10.912   2.053
  258   2HB   CYS  35           HB1      CYS  35  63.796   9.262   2.456
  259    HG   CYS  35           HG       CYS  35  65.956  11.504   2.155
  260    H    ILE  36           HN       ILE  36  64.635   7.343   0.442
  261    HA   ILE  36           HA       ILE  36  62.119   6.852  -1.089
  262    HB   ILE  36           HB       ILE  36  64.193   4.779  -0.396
  263   1HG1  ILE  36          HG12      ILE  36  64.460   6.797  -2.651
  264   2HG1  ILE  36          HG11      ILE  36  65.423   6.823  -1.173
  265   1HG2  ILE  36          HG21      ILE  36  62.000   5.164  -2.309
  266   2HG2  ILE  36          HG23      ILE  36  63.485   4.581  -3.062
  267   3HG2  ILE  36          HG22      ILE  36  62.748   3.670  -1.742
  268   1HD1  ILE  36          HD12      ILE  36  65.314   4.265  -2.712
  269   2HD1  ILE  36          HD11      ILE  36  66.288   5.580  -3.371
  270   3HD1  ILE  36          HD13      ILE  36  66.632   4.946  -1.761
  271    H    SER  37           HN       SER  37  60.633   7.062   0.694
  272    HA   SER  37           HA       SER  37  60.921   5.802   3.240
  273   1HB   SER  37           HB2      SER  37  58.471   6.236   3.349
  274   2HB   SER  37           HB1      SER  37  59.363   7.622   2.728
  275    HG   SER  37           HG       SER  37  58.882   6.359   0.604
  276    H    THR  38           HN       THR  38  59.204   4.079   3.950
  277    HA   THR  38           HA       THR  38  59.754   1.622   2.533
  278    HB   THR  38           HB       THR  38  59.468   1.664   4.927
  279    HG1  THR  38           HG1      THR  38  57.017   0.561   4.257
  280   1HG2  THR  38          HG23      THR  38  57.447   3.547   4.310
  281   2HG2  THR  38          HG22      THR  38  56.657   2.216   5.153
  282   3HG2  THR  38          HG21      THR  38  58.010   3.059   5.907
  283    H    LYS  39           HN       LYS  39  57.069   3.909   2.529
  284    HA   LYS  39           HA       LYS  39  55.042   2.288   1.371
  285   1HB   LYS  39           HB2      LYS  39  55.362   4.884   2.203
  286   2HB   LYS  39           HB1      LYS  39  55.252   5.090   0.453
  287   1HG   LYS  39           HG2      LYS  39  53.083   4.312   0.356
  288   2HG   LYS  39           HG1      LYS  39  53.290   3.253   1.751
  289   1HD   LYS  39           HD2      LYS  39  53.442   6.215   2.167
  290   2HD   LYS  39           HD1      LYS  39  51.857   5.470   1.954
  291   1HE   LYS  39           HE2      LYS  39  52.109   4.106   3.881
  292   2HE   LYS  39           HE1      LYS  39  53.864   4.371   3.937
  293   1HZ   LYS  39           HZ3      LYS  39  53.002   6.876   3.977
  294   2HZ   LYS  39           HZ2      LYS  39  51.696   6.131   4.769
  295   3HZ   LYS  39           HZ1      LYS  39  53.271   5.980   5.391
  296    H    GLU  40           HN       GLU  40  57.754   4.038  -0.096
  297    HA   GLU  40           HA       GLU  40  56.955   2.995  -2.786
  298   1HB   GLU  40           HB2      GLU  40  57.930   5.475  -1.747
  299   2HB   GLU  40           HB1      GLU  40  59.157   4.828  -2.835
  300   1HG   GLU  40           HG2      GLU  40  57.817   5.021  -4.681
  301   2HG   GLU  40           HG1      GLU  40  56.346   4.655  -3.780
  302    H    LEU  41           HN       LEU  41  58.618   1.825  -0.333
  303    HA   LEU  41           HA       LEU  41  61.226   1.287  -1.582
  304   1HB   LEU  41           HB2      LEU  41  60.844   1.656   0.859
  305   2HB   LEU  41           HB1      LEU  41  59.883   0.178   0.905
  306    HG   LEU  41           HG       LEU  41  62.332  -0.053   1.607
  307   1HD1  LEU  41          HD11      LEU  41  60.616  -1.756   0.199
  308   2HD1  LEU  41          HD13      LEU  41  62.162  -1.898  -0.637
  309   3HD1  LEU  41          HD12      LEU  41  62.060  -2.231   1.090
  310   1HD2  LEU  41          HD22      LEU  41  63.059   1.441  -0.374
  311   2HD2  LEU  41          HD21      LEU  41  64.024   0.000  -0.056
  312   3HD2  LEU  41          HD23      LEU  41  62.849   0.001  -1.371
  313    H    GLY  42           HN       GLY  42  58.297  -0.588  -0.735
  314   1HA   GLY  42           HA2      GLY  42  59.137  -3.136  -1.555
  315   2HA   GLY  42           HA1      GLY  42  57.468  -2.577  -1.675
  316    H    LYS  43           HN       LYS  43  57.475  -0.685  -3.581
  317    HA   LYS  43           HA       LYS  43  57.476  -2.002  -6.039
  318   1HB   LYS  43           HB2      LYS  43  57.807   0.841  -5.131
  319   2HB   LYS  43           HB1      LYS  43  57.952   0.476  -6.851
  320   1HG   LYS  43           HG2      LYS  43  55.662  -0.861  -5.623
  321   2HG   LYS  43           HG1      LYS  43  55.571   0.893  -5.481
  322   1HD   LYS  43           HD2      LYS  43  56.370   0.715  -8.049
  323   2HD   LYS  43           HD1      LYS  43  55.504  -0.816  -7.916
  324   1HE   LYS  43           HE2      LYS  43  53.483   0.225  -7.871
  325   2HE   LYS  43           HE1      LYS  43  54.049   1.431  -6.697
  326   1HZ   LYS  43           HZ3      LYS  43  54.912   1.430  -9.533
  327   2HZ   LYS  43           HZ2      LYS  43  53.556   2.302  -8.997
  328   3HZ   LYS  43           HZ1      LYS  43  55.100   2.667  -8.388
  329    H    VAL  44           HN       VAL  44  60.203  -0.463  -4.383
  330    HA   VAL  44           HA       VAL  44  62.058  -0.579  -6.589
  331    HB   VAL  44           HB       VAL  44  62.663  -0.704  -3.623
  332   1HG1  VAL  44          HG12      VAL  44  64.165  -0.200  -6.074
  333   2HG1  VAL  44          HG11      VAL  44  64.313   1.132  -4.927
  334   3HG1  VAL  44          HG13      VAL  44  64.761  -0.504  -4.442
  335   1HG2  VAL  44          HG23      VAL  44  61.251   1.341  -5.190
  336   2HG2  VAL  44          HG22      VAL  44  61.378   1.159  -3.441
  337   3HG2  VAL  44          HG21      VAL  44  62.662   1.969  -4.338
  338    H    MET  45           HN       MET  45  62.073  -2.560  -3.595
  339    HA   MET  45           HA       MET  45  63.809  -4.588  -4.519
  340   1HB   MET  45           HB2      MET  45  61.541  -4.448  -2.530
  341   2HB   MET  45           HB1      MET  45  62.442  -5.947  -2.763
  342   1HG   MET  45           HG2      MET  45  64.206  -3.636  -2.498
  343   2HG   MET  45           HG1      MET  45  63.173  -3.851  -1.085
  344   1HE   MET  45           HE2      MET  45  66.210  -4.360  -2.590
  345   2HE   MET  45           HE1      MET  45  66.456  -4.260  -0.848
  346   3HE   MET  45           HE3      MET  45  67.010  -5.682  -1.743
  347    H    ARG  46           HN       ARG  46  60.495  -3.940  -5.311
  348    HA   ARG  46           HA       ARG  46  59.828  -6.618  -6.259
  349   1HB   ARG  46           HB2      ARG  46  58.643  -3.922  -6.037
  350   2HB   ARG  46           HB1      ARG  46  58.070  -4.852  -7.423
  351   1HG   ARG  46           HG2      ARG  46  58.034  -6.739  -5.424
  352   2HG   ARG  46           HG1      ARG  46  57.576  -5.273  -4.554
  353   1HD   ARG  46           HD2      ARG  46  55.733  -4.861  -6.065
  354   2HD   ARG  46           HD1      ARG  46  56.265  -6.167  -7.144
  355    HE   ARG  46           HE       ARG  46  55.583  -6.785  -4.303
  356   1HH1  ARG  46          HH21      ARG  46  56.327  -8.898  -6.337
  357   2HH1  ARG  46          HH22      ARG  46  54.769  -9.499  -6.799
  358   1HH2  ARG  46          HH11      ARG  46  53.042  -6.798  -5.478
  359   2HH2  ARG  46          HH12      ARG  46  52.910  -8.312  -6.309
  360    H    MET  47           HN       MET  47  60.637  -3.509  -7.843
  361    HA   MET  47           HA       MET  47  60.748  -4.777 -10.487
  362   1HB   MET  47           HB2      MET  47  60.342  -2.625 -11.053
  363   2HB   MET  47           HB1      MET  47  60.419  -2.194  -9.349
  364   1HG   MET  47           HG2      MET  47  62.721  -1.620  -9.488
  365   2HG   MET  47           HG1      MET  47  62.914  -2.435 -11.040
  366   1HE   MET  47           HE2      MET  47  61.730   0.140  -8.938
  367   2HE   MET  47           HE1      MET  47  61.925   1.619  -9.874
  368   3HE   MET  47           HE3      MET  47  60.347   0.824  -9.788
  369    H    LEU  48           HN       LEU  48  63.111  -3.266  -8.254
  370    HA   LEU  48           HA       LEU  48  65.502  -3.529  -9.606
  371   1HB   LEU  48           HB2      LEU  48  64.603  -3.925  -6.777
  372   2HB   LEU  48           HB1      LEU  48  66.275  -4.320  -7.174
  373    HG   LEU  48           HG       LEU  48  65.855  -1.918  -6.411
  374   1HD1  LEU  48          HD13      LEU  48  67.631  -2.987  -8.227
  375   2HD1  LEU  48          HD12      LEU  48  66.948  -1.633  -9.127
  376   3HD1  LEU  48          HD11      LEU  48  67.724  -1.353  -7.567
  377   1HD2  LEU  48          HD23      LEU  48  64.555  -1.835  -9.153
  378   2HD2  LEU  48          HD22      LEU  48  63.765  -1.515  -7.609
  379   3HD2  LEU  48          HD21      LEU  48  64.996  -0.407  -8.217
  380    H    GLY  49           HN       GLY  49  64.224  -6.125  -7.500
  381   1HA   GLY  49           HA2      GLY  49  64.232  -8.320  -9.106
  382   2HA   GLY  49           HA1      GLY  49  65.957  -8.096  -8.820
  383    H    GLN  50           HN       GLN  50  63.441  -7.359  -6.444
  384    HA   GLN  50           HA       GLN  50  64.388  -9.703  -4.826
  385   1HB   GLN  50           HB2      GLN  50  63.763  -6.861  -3.955
  386   2HB   GLN  50           HB1      GLN  50  64.225  -8.174  -2.871
  387   1HG   GLN  50           HG2      GLN  50  65.969  -7.432  -5.212
  388   2HG   GLN  50           HG1      GLN  50  66.085  -6.552  -3.688
  389   1HE2  GLN  50          HE22      GLN  50  68.516  -9.153  -3.075
  390   2HE2  GLN  50          HE21      GLN  50  68.364  -7.600  -3.741
  391    H    ASN  51           HN       ASN  51  62.734 -10.163  -3.005
  392    HA   ASN  51           HA       ASN  51  59.945  -9.458  -3.815
  393   1HB   ASN  51           HB2      ASN  51  61.303 -12.127  -3.693
  394   2HB   ASN  51           HB1      ASN  51  59.592 -12.036  -3.271
  395   1HD2  ASN  51          HD22      ASN  51  59.443 -12.582  -6.870
  396   2HD2  ASN  51          HD21      ASN  51  59.657 -13.454  -5.429
  397    HA   PRO  52           HA       PRO  52  60.827  -9.494   0.792
  398   1HB   PRO  52           HB2      PRO  52  60.420  -6.826   1.240
  399   2HB   PRO  52           HB1      PRO  52  62.007  -7.501   0.822
  400   1HG   PRO  52           HG2      PRO  52  60.044  -6.077  -0.898
  401   2HG   PRO  52           HG1      PRO  52  61.812  -5.999  -0.898
  402   1HD   PRO  52           HD2      PRO  52  60.348  -7.435  -2.710
  403   2HD   PRO  52           HD1      PRO  52  62.020  -7.825  -2.253
  404    H    THR  53           HN       THR  53  59.139  -9.111   2.448
  405    HA   THR  53           HA       THR  53  56.429  -9.313   1.319
  406    HB   THR  53           HB       THR  53  56.158  -9.353   4.029
  407    HG1  THR  53           HG1      THR  53  58.018 -10.165   4.912
  408   1HG2  THR  53          HG23      THR  53  57.205 -11.575   2.254
  409   2HG2  THR  53          HG22      THR  53  56.467 -11.813   3.838
  410   3HG2  THR  53          HG21      THR  53  55.512 -11.155   2.510
  411    HA   PRO  54           HA       PRO  54  55.115  -5.210   2.123
  412   1HB   PRO  54           HB2      PRO  54  52.637  -5.552   3.235
  413   2HB   PRO  54           HB1      PRO  54  52.977  -5.845   1.517
  414   1HG   PRO  54           HG2      PRO  54  52.703  -7.789   3.752
  415   2HG   PRO  54           HG1      PRO  54  52.171  -7.921   2.069
  416   1HD   PRO  54           HD2      PRO  54  54.417  -9.132   3.051
  417   2HD   PRO  54           HD1      PRO  54  54.208  -8.666   1.347
  418    H    GLU  55           HN       GLU  55  54.572  -7.394   4.895
  419    HA   GLU  55           HA       GLU  55  54.512  -5.287   6.883
  420   1HB   GLU  55           HB2      GLU  55  54.174  -8.112   6.668
  421   2HB   GLU  55           HB1      GLU  55  55.382  -7.820   7.921
  422   1HG   GLU  55           HG2      GLU  55  53.861  -6.916   9.336
  423   2HG   GLU  55           HG1      GLU  55  53.092  -5.982   8.052
  424    H    GLU  56           HN       GLU  56  57.055  -7.168   5.344
  425    HA   GLU  56           HA       GLU  56  59.139  -6.552   7.272
  426   1HB   GLU  56           HB2      GLU  56  58.838  -7.776   4.571
  427   2HB   GLU  56           HB1      GLU  56  60.447  -7.196   5.003
  428   1HG   GLU  56           HG2      GLU  56  58.762  -9.133   6.620
  429   2HG   GLU  56           HG1      GLU  56  60.188  -9.546   5.668
  430    H    LEU  57           HN       LEU  57  57.852  -4.975   4.393
  431    HA   LEU  57           HA       LEU  57  59.844  -3.259   3.550
  432   1HB   LEU  57           HB2      LEU  57  56.891  -2.923   4.046
  433   2HB   LEU  57           HB1      LEU  57  57.833  -1.592   3.377
  434    HG   LEU  57           HG       LEU  57  57.565  -4.378   2.212
  435   1HD1  LEU  57          HD12      LEU  57  56.246  -1.787   1.764
  436   2HD1  LEU  57          HD11      LEU  57  56.875  -2.526   0.292
  437   3HD1  LEU  57          HD13      LEU  57  55.728  -3.407   1.300
  438   1HD2  LEU  57          HD22      LEU  57  59.370  -2.052   1.571
  439   2HD2  LEU  57          HD21      LEU  57  59.775  -3.763   1.696
  440   3HD2  LEU  57          HD23      LEU  57  58.874  -3.171   0.301
  441    H    GLN  58           HN       GLN  58  57.681  -2.635   6.342
  442    HA   GLN  58           HA       GLN  58  59.227  -0.284   7.161
  443   1HB   GLN  58           HB2      GLN  58  56.889  -0.232   7.555
  444   2HB   GLN  58           HB1      GLN  58  56.880  -1.872   8.208
  445   1HG   GLN  58           HG2      GLN  58  56.672  -0.278  10.044
  446   2HG   GLN  58           HG1      GLN  58  58.246  -1.069  10.137
  447   1HE2  GLN  58          HE22      GLN  58  60.006   1.960   9.861
  448   2HE2  GLN  58          HE21      GLN  58  60.023   0.313  10.275
  449    H    GLU  59           HN       GLU  59  59.088  -3.702   8.006
  450    HA   GLU  59           HA       GLU  59  60.588  -3.429  10.493
  451   1HB   GLU  59           HB2      GLU  59  58.926  -5.262   9.549
  452   2HB   GLU  59           HB1      GLU  59  60.403  -5.950   8.872
  453   1HG   GLU  59           HG2      GLU  59  61.176  -6.604  10.907
  454   2HG   GLU  59           HG1      GLU  59  60.640  -5.116  11.689
  455    H    MET  60           HN       MET  60  61.386  -4.075   7.103
  456    HA   MET  60           HA       MET  60  64.175  -4.774   7.689
  457   1HB   MET  60           HB2      MET  60  62.436  -5.314   5.689
  458   2HB   MET  60           HB1      MET  60  63.276  -3.937   4.976
  459   1HG   MET  60           HG2      MET  60  64.604  -5.742   4.289
  460   2HG   MET  60           HG1      MET  60  65.444  -5.183   5.737
  461   1HE   MET  60           HE3      MET  60  66.125  -6.255   7.316
  462   2HE   MET  60           HE2      MET  60  64.770  -6.609   8.386
  463   3HE   MET  60           HE1      MET  60  65.826  -7.914   7.851
  464    H    ILE  61           HN       ILE  61  62.657  -1.925   8.034
  465    HA   ILE  61           HA       ILE  61  64.971  -0.345   6.953
  466    HB   ILE  61           HB       ILE  61  61.996   0.143   7.076
  467   1HG1  ILE  61          HG12      ILE  61  64.098   0.432   4.902
  468   2HG1  ILE  61          HG11      ILE  61  62.954  -0.902   5.057
  469   1HG2  ILE  61          HG22      ILE  61  64.214   2.192   6.829
  470   2HG2  ILE  61          HG21      ILE  61  62.558   2.499   6.303
  471   3HG2  ILE  61          HG23      ILE  61  62.897   2.170   8.002
  472   1HD1  ILE  61          HD13      ILE  61  61.081   0.737   4.863
  473   2HD1  ILE  61          HD12      ILE  61  62.268   2.011   4.581
  474   3HD1  ILE  61          HD11      ILE  61  62.098   0.690   3.423
  475    H    ASP  62           HN       ASP  62  62.612  -0.716   9.588
  476    HA   ASP  62           HA       ASP  62  63.483   1.466  11.217
  477   1HB   ASP  62           HB2      ASP  62  61.414   0.401  11.694
  478   2HB   ASP  62           HB1      ASP  62  62.149  -1.203  11.701
  479    H    GLU  63           HN       GLU  63  65.009  -1.521  10.428
  480    HA   GLU  63           HA       GLU  63  66.649  -1.658  12.869
  481   1HB   GLU  63           HB2      GLU  63  67.589  -3.612  11.731
  482   2HB   GLU  63           HB1      GLU  63  65.832  -3.637  11.577
  483   1HG   GLU  63           HG2      GLU  63  65.984  -2.684   9.330
  484   2HG   GLU  63           HG1      GLU  63  67.737  -2.557   9.479
  485    H    VAL  64           HN       VAL  64  66.927  -0.421   9.576
  486    HA   VAL  64           HA       VAL  64  69.778   0.322  10.121
  487    HB   VAL  64           HB       VAL  64  69.167  -1.130   8.144
  488   1HG1  VAL  64          HG13      VAL  64  67.177   0.870   7.837
  489   2HG1  VAL  64          HG12      VAL  64  68.263   1.017   6.454
  490   3HG1  VAL  64          HG11      VAL  64  67.471  -0.522   6.794
  491   1HG2  VAL  64          HG22      VAL  64  71.200   0.352   8.225
  492   2HG2  VAL  64          HG21      VAL  64  70.598   0.071   6.591
  493   3HG2  VAL  64          HG23      VAL  64  70.263   1.600   7.404
  494    H    ASP  65           HN       ASP  65  66.623   1.590   9.939
  495    HA   ASP  65           HA       ASP  65  67.404   4.258   8.962
  496   1HB   ASP  65           HB2      ASP  65  65.218   3.197   8.462
  497   2HB   ASP  65           HB1      ASP  65  64.845   3.170  10.186
  498    H    GLU  66           HN       GLU  66  69.068   4.490  10.768
  499    HA   GLU  66           HA       GLU  66  68.133   4.758  13.515
  500   1HB   GLU  66           HB2      GLU  66  70.664   5.418  11.993
  501   2HB   GLU  66           HB1      GLU  66  70.501   5.726  13.723
  502   1HG   GLU  66           HG2      GLU  66  69.577   3.061  13.139
  503   2HG   GLU  66           HG1      GLU  66  71.194   3.281  12.469
  504    H    ASP  67           HN       ASP  67  67.845   6.731  10.785
  505    HA   ASP  67           HA       ASP  67  68.251   9.339  11.978
  506   1HB   ASP  67           HB2      ASP  67  66.587   8.429   9.605
  507   2HB   ASP  67           HB1      ASP  67  67.131  10.080   9.909
  508    H    GLY  68           HN       GLY  68  65.924   6.983  12.550
  509   1HA   GLY  68           HA2      GLY  68  63.833   7.025  13.613
  510   2HA   GLY  68           HA1      GLY  68  64.349   8.575  14.281
  511    H    SER  69           HN       SER  69  64.336   8.389  10.853
  512    HA   SER  69           HA       SER  69  62.035  10.267  10.773
  513   1HB   SER  69           HB2      SER  69  62.928  10.820   8.599
  514   2HB   SER  69           HB1      SER  69  64.301  10.659   9.690
  515    HG   SER  69           HG       SER  69  64.634   8.582   8.886
  516    H    GLY  70           HN       GLY  70  63.040   7.101   9.506
  517   1HA   GLY  70           HA2      GLY  70  61.431   5.324   9.108
  518   2HA   GLY  70           HA1      GLY  70  60.188   6.551   8.859
  519    H    THR  71           HN       THR  71  62.547   7.929   7.235
  520    HA   THR  71           HA       THR  71  61.749   6.645   4.666
  521    HB   THR  71           HB       THR  71  62.321   8.767   3.704
  522    HG1  THR  71           HG1      THR  71  64.245   9.207   4.662
  523   1HG2  THR  71          HG21      THR  71  61.144   9.236   6.457
  524   2HG2  THR  71          HG23      THR  71  61.037  10.351   5.095
  525   3HG2  THR  71          HG22      THR  71  60.239   8.780   5.013
  526    H    VAL  72           HN       VAL  72  63.275   5.646   3.360
  527    HA   VAL  72           HA       VAL  72  65.966   5.202   4.501
  528    HB   VAL  72           HB       VAL  72  64.682   4.151   1.961
  529   1HG1  VAL  72          HG11      VAL  72  67.226   3.750   3.314
  530   2HG1  VAL  72          HG13      VAL  72  66.342   2.235   3.122
  531   3HG1  VAL  72          HG12      VAL  72  66.713   3.226   1.710
  532   1HG2  VAL  72          HG21      VAL  72  64.357   3.407   4.846
  533   2HG2  VAL  72          HG23      VAL  72  63.162   3.401   3.549
  534   3HG2  VAL  72          HG22      VAL  72  64.368   2.117   3.643
  535    H    ASP  73           HN       ASP  73  67.481   6.753   4.018
  536    HA   ASP  73           HA       ASP  73  67.284   8.317   1.519
  537   1HB   ASP  73           HB2      ASP  73  67.968   8.957   4.027
  538   2HB   ASP  73           HB1      ASP  73  69.569   8.504   3.438
  539    H    PHE  74           HN       PHE  74  69.775   8.714   0.661
  540    HA   PHE  74           HA       PHE  74  70.500   6.293  -0.706
  541   1HB   PHE  74           HB2      PHE  74  70.832   8.737  -1.372
  542   2HB   PHE  74           HB1      PHE  74  72.196   8.764  -0.253
  543    HD1  PHE  74           HD2      PHE  74  70.837   7.111  -3.295
  544    HD2  PHE  74           HD1      PHE  74  74.287   7.765  -0.821
  545    HE1  PHE  74           HE2      PHE  74  72.276   6.071  -5.026
  546    HE2  PHE  74           HE1      PHE  74  75.726   6.723  -2.552
  547    HZ   PHE  74           HZ       PHE  74  74.721   5.877  -4.654
  548    H    ASP  75           HN       ASP  75  71.282   7.495   2.427
  549    HA   ASP  75           HA       ASP  75  73.843   6.066   2.665
  550   1HB   ASP  75           HB2      ASP  75  72.742   8.258   3.821
  551   2HB   ASP  75           HB1      ASP  75  72.342   7.044   5.038
  552    H    GLU  76           HN       GLU  76  70.497   5.685   3.853
  553    HA   GLU  76           HA       GLU  76  71.160   3.155   5.215
  554   1HB   GLU  76           HB2      GLU  76  68.497   4.518   4.700
  555   2HB   GLU  76           HB1      GLU  76  68.836   3.301   5.931
  556   1HG   GLU  76           HG2      GLU  76  70.249   4.790   7.154
  557   2HG   GLU  76           HG1      GLU  76  70.298   5.947   5.823
  558    H    PHE  77           HN       PHE  77  69.114   4.195   2.471
  559    HA   PHE  77           HA       PHE  77  67.950   1.864   1.602
  560   1HB   PHE  77           HB2      PHE  77  67.941   4.163   0.551
  561   2HB   PHE  77           HB1      PHE  77  69.503   3.775  -0.169
  562    HD1  PHE  77           HD2      PHE  77  66.356   1.792   0.335
  563    HD2  PHE  77           HD1      PHE  77  69.249   3.329  -2.442
  564    HE1  PHE  77           HE2      PHE  77  65.215   0.598  -1.515
  565    HE2  PHE  77           HE1      PHE  77  68.108   2.135  -4.292
  566    HZ   PHE  77           HZ       PHE  77  66.091   0.770  -3.828
  567    H    LEU  78           HN       LEU  78  71.373   2.759   1.081
  568    HA   LEU  78           HA       LEU  78  72.005   0.361  -0.430
  569   1HB   LEU  78           HB2      LEU  78  73.315   2.766   0.657
  570   2HB   LEU  78           HB1      LEU  78  74.367   1.352   0.587
  571    HG   LEU  78           HG       LEU  78  72.737   2.449  -1.723
  572   1HD1  LEU  78          HD13      LEU  78  74.914   3.641  -0.812
  573   2HD1  LEU  78          HD12      LEU  78  75.733   2.310  -1.632
  574   3HD1  LEU  78          HD11      LEU  78  74.693   3.403  -2.546
  575   1HD2  LEU  78          HD23      LEU  78  74.577   0.068  -1.412
  576   2HD2  LEU  78          HD22      LEU  78  72.926   0.095  -2.033
  577   3HD2  LEU  78          HD21      LEU  78  74.239   0.782  -2.989
  578    H    VAL  79           HN       VAL  79  72.031   1.240   2.983
  579    HA   VAL  79           HA       VAL  79  73.600  -1.075   3.840
  580    HB   VAL  79           HB       VAL  79  71.803   0.927   5.252
  581   1HG1  VAL  79          HG12      VAL  79  72.023  -1.190   6.524
  582   2HG1  VAL  79          HG11      VAL  79  73.779  -1.061   6.414
  583   3HG1  VAL  79          HG13      VAL  79  72.862   0.139   7.325
  584   1HG2  VAL  79          HG23      VAL  79  74.238   1.319   4.038
  585   2HG2  VAL  79          HG22      VAL  79  73.633   2.274   5.392
  586   3HG2  VAL  79          HG21      VAL  79  74.722   0.918   5.686
  587    H    MET  80           HN       MET  80  70.133  -0.172   3.954
  588    HA   MET  80           HA       MET  80  69.129  -2.515   5.189
  589   1HB   MET  80           HB2      MET  80  67.030  -1.845   3.935
  590   2HB   MET  80           HB1      MET  80  67.792  -0.524   4.821
  591   1HG   MET  80           HG2      MET  80  68.545   0.518   2.898
  592   2HG   MET  80           HG1      MET  80  68.623  -0.989   1.987
  593   1HE   MET  80           HE2      MET  80  66.785  -2.451   1.882
  594   2HE   MET  80           HE1      MET  80  65.155  -2.086   2.440
  595   3HE   MET  80           HE3      MET  80  65.562  -1.930   0.725
  596    H    MET  81           HN       MET  81  70.215  -1.936   1.899
  597    HA   MET  81           HA       MET  81  69.058  -4.380   0.787
  598   1HB   MET  81           HB2      MET  81  70.815  -2.114  -0.036
  599   2HB   MET  81           HB1      MET  81  70.957  -3.602  -0.972
  600   1HG   MET  81           HG2      MET  81  68.173  -2.925  -0.443
  601   2HG   MET  81           HG1      MET  81  69.008  -1.632  -1.304
  602   1HE   MET  81           HE3      MET  81  70.391  -1.792  -3.028
  603   2HE   MET  81           HE2      MET  81  70.503  -3.011  -4.296
  604   3HE   MET  81           HE1      MET  81  69.119  -1.922  -4.252
  605    H    VAL  82           HN       VAL  82  72.456  -3.336   1.219
  606    HA   VAL  82           HA       VAL  82  73.749  -5.784   0.850
  607    HB   VAL  82           HB       VAL  82  74.899  -3.663   1.137
  608   1HG1  VAL  82          HG13      VAL  82  73.229  -2.743   2.780
  609   2HG1  VAL  82          HG12      VAL  82  73.982  -3.735   4.026
  610   3HG1  VAL  82          HG11      VAL  82  74.906  -2.455   3.239
  611   1HG2  VAL  82          HG21      VAL  82  75.564  -6.031   2.621
  612   2HG2  VAL  82          HG23      VAL  82  76.654  -4.845   1.901
  613   3HG2  VAL  82          HG22      VAL  82  76.065  -4.616   3.548
  614    H    ARG  83           HN       ARG  83  71.959  -4.647   3.678
  615    HA   ARG  83           HA       ARG  83  72.831  -6.543   5.609
  616   1HB   ARG  83           HB2      ARG  83  70.413  -4.860   5.081
  617   2HB   ARG  83           HB1      ARG  83  70.302  -6.090   6.341
  618   1HG   ARG  83           HG2      ARG  83  72.632  -5.070   7.085
  619   2HG   ARG  83           HG1      ARG  83  72.035  -3.651   6.222
  620   1HD   ARG  83           HD2      ARG  83  70.192  -3.389   7.669
  621   2HD   ARG  83           HD1      ARG  83  70.294  -5.065   8.246
  622    HE   ARG  83           HE       ARG  83  72.717  -4.126   9.009
  623   1HH1  ARG  83          HH11      ARG  83  71.770  -1.317   8.850
  624   2HH1  ARG  83          HH12      ARG  83  71.134  -1.041  10.437
  625   1HH2  ARG  83          HH21      ARG  83  70.938  -4.410  11.232
  626   2HH2  ARG  83          HH22      ARG  83  70.661  -2.793  11.786
  627    H    CYS  84           HN       CYS  84  69.822  -6.693   3.655
  628    HA   CYS  84           HA       CYS  84  69.691  -9.621   4.128
  629   1HB   CYS  84           HB2      CYS  84  67.733  -8.121   4.474
  630   2HB   CYS  84           HB1      CYS  84  67.797  -7.674   2.769
  631    HG   CYS  84           HG       CYS  84  67.631 -10.627   2.822
  632    H    MET  85           HN       MET  85  71.683  -8.299   2.253
  633    HA   MET  85           HA       MET  85  70.852  -8.838  -0.468
  634   1HB   MET  85           HB2      MET  85  73.199  -7.955   1.052
  635   2HB   MET  85           HB1      MET  85  73.628  -8.922  -0.359
  636   1HG   MET  85           HG2      MET  85  71.823  -7.387  -1.550
  637   2HG   MET  85           HG1      MET  85  72.210  -6.287  -0.226
  638   1HE   MET  85           HE3      MET  85  72.614  -4.812  -2.204
  639   2HE   MET  85           HE2      MET  85  73.825  -4.332  -1.018
  640   3HE   MET  85           HE1      MET  85  74.272  -4.473  -2.716
  641    H    LYS  86           HN       LYS  86  73.081 -10.356  -1.405
  642    HA   LYS  86           HA       LYS  86  72.383 -13.062  -0.319
  643   1HB   LYS  86           HB2      LYS  86  72.215 -11.956  -2.870
  644   2HB   LYS  86           HB1      LYS  86  73.688 -12.924  -2.935
  645   1HG   LYS  86           HG2      LYS  86  71.203 -14.083  -1.705
  646   2HG   LYS  86           HG1      LYS  86  71.379 -14.060  -3.460
  647   1HD   LYS  86           HD2      LYS  86  73.205 -15.502  -3.435
  648   2HD   LYS  86           HD1      LYS  86  73.654 -15.068  -1.786
  649   1HE   LYS  86           HE2      LYS  86  70.993 -16.380  -2.173
  650   2HE   LYS  86           HE1      LYS  86  72.443 -17.395  -2.305
  651   1HZ   LYS  86           HZ3      LYS  86  73.104 -15.928  -0.212
  652   2HZ   LYS  86           HZ2      LYS  86  71.417 -15.919  -0.008
  653   3HZ   LYS  86           HZ1      LYS  86  72.262 -17.392  -0.059
  654    H    ASP  87           HN       ASP  87  75.037 -10.929  -1.288
  655    HA   ASP  87           HA       ASP  87  77.346 -11.054  -0.792
  656   1HB   ASP  87           HB2      ASP  87  75.834 -12.360   1.307
  657   2HB   ASP  87           HB1      ASP  87  77.401 -13.143   1.109
  658    H    ASP  88           HN       ASP  88  77.353 -12.101  -3.056
  659    HA   ASP  88           HA       ASP  88  78.292 -13.744  -4.472
  660   1HB   ASP  88           HB2      ASP  88  79.492 -13.973  -1.836
  661   2HB   ASP  88           HB1      ASP  88  79.431 -15.544  -2.635
  662    H    SER  89           HN       SER  89  78.093 -16.155  -4.956
  663    HA   SER  89           HA       SER  89  75.679 -17.328  -3.610
  664   1HB   SER  89           HB2      SER  89  75.931 -16.328  -6.200
  665   2HB   SER  89           HB1      SER  89  76.110 -18.067  -6.408
  666    HG   SER  89           HG       SER  89  74.178 -18.007  -4.829
   
  No H/Q in entry =         666
  Start of MODEL   36
    1   1H    MET   1           HT1      MET   1  82.365   2.585  15.939
    2   2H    MET   1           HT3      MET   1  81.488   4.036  15.950
    3   3H    MET   1           HT2      MET   1  82.010   3.351  17.414
    4    HA   MET   1           HA       MET   1  80.507   1.521  17.199
    5   1HB   MET   1           HB2      MET   1  79.866   4.288  17.372
    6   2HB   MET   1           HB1      MET   1  78.570   3.518  16.458
    7   1HG   MET   1           HG2      MET   1  77.862   2.283  18.244
    8   2HG   MET   1           HG1      MET   1  79.499   2.035  18.850
    9   1HE   MET   1           HE1      MET   1  76.672   2.678  20.091
   10   2HE   MET   1           HE3      MET   1  77.905   2.524  21.350
   11   3HE   MET   1           HE2      MET   1  76.841   3.928  21.320
   12    H    ASP   2           HN       ASP   2  79.260   3.745  14.715
   13    HA   ASP   2           HA       ASP   2  78.419   1.494  13.040
   14   1HB   ASP   2           HB2      ASP   2  78.338   4.515  12.839
   15   2HB   ASP   2           HB1      ASP   2  77.681   3.465  11.583
   16    H    ASP   3           HN       ASP   3  80.948   0.919  13.000
   17    HA   ASP   3           HA       ASP   3  82.142   2.248  10.587
   18   1HB   ASP   3           HB2      ASP   3  83.491   2.755  12.471
   19   2HB   ASP   3           HB1      ASP   3  83.298   1.138  13.148
   20    H    ILE   4           HN       ILE   4  80.798  -0.608  11.810
   21    HA   ILE   4           HA       ILE   4  82.462  -2.487  10.273
   22    HB   ILE   4           HB       ILE   4  79.932  -2.654  11.929
   23   1HG1  ILE   4          HG12      ILE   4  82.667  -3.882  12.366
   24   2HG1  ILE   4          HG11      ILE   4  82.204  -2.306  13.011
   25   1HG2  ILE   4          HG21      ILE   4  81.014  -4.536   9.970
   26   2HG2  ILE   4          HG23      ILE   4  80.897  -5.241  11.582
   27   3HG2  ILE   4          HG22      ILE   4  79.464  -4.562  10.811
   28   1HD1  ILE   4          HD13      ILE   4  80.116  -4.164  13.618
   29   2HD1  ILE   4          HD12      ILE   4  81.650  -4.883  14.109
   30   3HD1  ILE   4          HD11      ILE   4  81.172  -3.306  14.740
   31    H    TYR   5           HN       TYR   5  78.914  -2.146  10.270
   32    HA   TYR   5           HA       TYR   5  78.338  -3.191   7.774
   33   1HB   TYR   5           HB2      TYR   5  77.188  -1.024   9.491
   34   2HB   TYR   5           HB1      TYR   5  76.504  -1.257   7.882
   35    HD1  TYR   5           HD2      TYR   5  77.483  -3.177  10.950
   36    HD2  TYR   5           HD1      TYR   5  74.894  -2.921   7.531
   37    HE1  TYR   5           HE2      TYR   5  76.206  -5.139  11.770
   38    HE2  TYR   5           HE1      TYR   5  73.618  -4.882   8.352
   39    HH   TYR   5           HH       TYR   5  73.547  -5.935  11.283
   40    H    LYS   6           HN       LYS   6  79.575   0.064   8.482
   41    HA   LYS   6           HA       LYS   6  79.254   1.338   6.006
   42   1HB   LYS   6           HB2      LYS   6  80.875   1.538   8.388
   43   2HB   LYS   6           HB1      LYS   6  81.855   1.926   6.973
   44   1HG   LYS   6           HG2      LYS   6  80.291   3.617   6.262
   45   2HG   LYS   6           HG1      LYS   6  79.123   3.127   7.489
   46   1HD   LYS   6           HD2      LYS   6  81.121   3.636   9.145
   47   2HD   LYS   6           HD1      LYS   6  81.687   4.645   7.814
   48   1HE   LYS   6           HE2      LYS   6  79.298   5.635   7.776
   49   2HE   LYS   6           HE1      LYS   6  79.109   4.887   9.374
   50   1HZ   LYS   6           HZ2      LYS   6  81.178   5.963  10.064
   51   2HZ   LYS   6           HZ1      LYS   6  81.287   6.737   8.556
   52   3HZ   LYS   6           HZ3      LYS   6  80.009   7.108   9.608
   53    H    ALA   7           HN       ALA   7  81.697  -1.057   6.975
   54    HA   ALA   7           HA       ALA   7  83.248  -0.911   4.538
   55   1HB   ALA   7           HB2      ALA   7  82.977  -2.646   6.947
   56   2HB   ALA   7           HB1      ALA   7  83.765  -3.364   5.542
   57   3HB   ALA   7           HB3      ALA   7  84.420  -1.895   6.265
   58    H    ALA   8           HN       ALA   8  80.301  -2.543   5.471
   59    HA   ALA   8           HA       ALA   8  80.305  -4.595   3.436
   60   1HB   ALA   8           HB1      ALA   8  78.915  -4.163   5.660
   61   2HB   ALA   8           HB3      ALA   8  77.812  -3.351   4.550
   62   3HB   ALA   8           HB2      ALA   8  78.197  -5.057   4.320
   63    H    VAL   9           HN       VAL   9  79.150  -1.246   3.573
   64    HA   VAL   9           HA       VAL   9  77.892  -1.396   0.914
   65    HB   VAL   9           HB       VAL   9  78.504   0.947   2.747
   66   1HG1  VAL   9          HG11      VAL   9  77.895   1.389   0.308
   67   2HG1  VAL   9          HG13      VAL   9  76.324   0.672   0.666
   68   3HG1  VAL   9          HG12      VAL   9  76.838   2.134   1.507
   69   1HG2  VAL   9          HG21      VAL   9  76.608  -1.257   2.958
   70   2HG2  VAL   9          HG23      VAL   9  76.993  -0.002   4.134
   71   3HG2  VAL   9          HG22      VAL   9  75.784   0.300   2.887
   72    H    GLU  10           HN       GLU  10  80.796   0.058   2.388
   73    HA   GLU  10           HA       GLU  10  81.748   1.442   0.076
   74   1HB   GLU  10           HB2      GLU  10  82.485   0.958   2.743
   75   2HB   GLU  10           HB1      GLU  10  83.829   0.338   1.783
   76   1HG   GLU  10           HG2      GLU  10  84.381   2.410   0.960
   77   2HG   GLU  10           HG1      GLU  10  82.709   2.972   0.968
   78    H    GLN  11           HN       GLN  11  82.224  -1.903   1.201
   79    HA   GLN  11           HA       GLN  11  84.247  -2.748  -0.569
   80   1HB   GLN  11           HB2      GLN  11  82.207  -3.856   1.158
   81   2HB   GLN  11           HB1      GLN  11  82.358  -4.835  -0.302
   82   1HG   GLN  11           HG2      GLN  11  83.949  -5.710   1.262
   83   2HG   GLN  11           HG1      GLN  11  84.874  -4.795   0.072
   84   1HE2  GLN  11          HE22      GLN  11  85.681  -3.824   3.714
   85   2HE2  GLN  11          HE21      GLN  11  85.419  -5.359   3.039
   86    H    LEU  12           HN       LEU  12  80.828  -2.147  -1.182
   87    HA   LEU  12           HA       LEU  12  80.348  -3.551  -3.549
   88   1HB   LEU  12           HB2      LEU  12  79.591  -0.779  -2.597
   89   2HB   LEU  12           HB1      LEU  12  78.915  -1.475  -4.072
   90    HG   LEU  12           HG       LEU  12  78.821  -2.900  -1.405
   91   1HD1  LEU  12          HD11      LEU  12  77.000  -0.834  -2.606
   92   2HD1  LEU  12          HD13      LEU  12  76.311  -2.136  -1.636
   93   3HD1  LEU  12          HD12      LEU  12  77.496  -1.040  -0.925
   94   1HD2  LEU  12          HD22      LEU  12  78.543  -4.092  -3.685
   95   2HD2  LEU  12          HD21      LEU  12  77.283  -4.350  -2.478
   96   3HD2  LEU  12          HD23      LEU  12  77.014  -3.219  -3.806
   97    H    THR  13           HN       THR  13  80.228  -2.394  -5.814
   98    HA   THR  13           HA       THR  13  82.964  -1.406  -6.421
   99    HB   THR  13           HB       THR  13  81.285  -1.742  -8.719
  100    HG1  THR  13           HG1      THR  13  80.331  -3.626  -8.349
  101   1HG2  THR  13          HG23      THR  13  83.654  -3.089  -7.476
  102   2HG2  THR  13          HG22      THR  13  82.857  -3.856  -8.849
  103   3HG2  THR  13          HG21      THR  13  83.535  -2.236  -9.015
  104    H    GLU  14           HN       GLU  14  83.318   0.610  -7.430
  105    HA   GLU  14           HA       GLU  14  81.697   2.816  -6.804
  106   1HB   GLU  14           HB2      GLU  14  84.095   2.240  -8.158
  107   2HB   GLU  14           HB1      GLU  14  83.121   3.152  -9.313
  108   1HG   GLU  14           HG2      GLU  14  82.891   4.995  -7.827
  109   2HG   GLU  14           HG1      GLU  14  83.464   4.054  -6.451
  110    H    GLU  15           HN       GLU  15  81.606   0.728  -9.680
  111    HA   GLU  15           HA       GLU  15  79.659   2.360 -11.101
  112   1HB   GLU  15           HB2      GLU  15  79.774   0.588 -12.700
  113   2HB   GLU  15           HB1      GLU  15  81.388   0.678 -11.994
  114   1HG   GLU  15           HG2      GLU  15  80.646  -1.112 -10.350
  115   2HG   GLU  15           HG1      GLU  15  79.198  -1.305 -11.337
  116    H    GLN  16           HN       GLN  16  79.461   0.123  -8.502
  117    HA   GLN  16           HA       GLN  16  76.731  -0.800  -9.069
  118   1HB   GLN  16           HB2      GLN  16  78.370  -2.198  -7.900
  119   2HB   GLN  16           HB1      GLN  16  78.556  -0.968  -6.649
  120   1HG   GLN  16           HG2      GLN  16  76.763  -1.752  -5.539
  121   2HG   GLN  16           HG1      GLN  16  75.760  -1.606  -6.984
  122   1HE2  GLN  16          HE22      GLN  16  75.609  -5.183  -6.497
  123   2HE2  GLN  16          HE21      GLN  16  74.833  -3.744  -6.045
  124    H    LYS  17           HN       LYS  17  77.967   0.800  -6.119
  125    HA   LYS  17           HA       LYS  17  75.592   1.842  -5.143
  126   1HB   LYS  17           HB2      LYS  17  77.074   3.629  -4.164
  127   2HB   LYS  17           HB1      LYS  17  77.728   2.000  -3.987
  128   1HG   LYS  17           HG2      LYS  17  78.781   2.673  -6.395
  129   2HG   LYS  17           HG1      LYS  17  78.710   4.262  -5.632
  130   1HD   LYS  17           HD2      LYS  17  79.984   1.794  -4.411
  131   2HD   LYS  17           HD1      LYS  17  80.863   3.126  -5.164
  132   1HE   LYS  17           HE2      LYS  17  79.908   4.695  -3.492
  133   2HE   LYS  17           HE1      LYS  17  79.072   3.336  -2.715
  134   1HZ   LYS  17           HZ1      LYS  17  81.996   3.388  -3.226
  135   2HZ   LYS  17           HZ3      LYS  17  81.302   3.855  -1.750
  136   3HZ   LYS  17           HZ2      LYS  17  81.131   2.256  -2.299
  137    H    ASN  18           HN       ASN  18  77.520   3.071  -7.839
  138    HA   ASN  18           HA       ASN  18  76.206   5.610  -8.138
  139   1HB   ASN  18           HB2      ASN  18  78.146   3.921  -9.471
  140   2HB   ASN  18           HB1      ASN  18  77.056   4.642 -10.655
  141   1HD2  ASN  18          HD22      ASN  18  79.929   6.990  -9.729
  142   2HD2  ASN  18          HD21      ASN  18  79.929   5.338 -10.120
  143    H    GLU  19           HN       GLU  19  75.390   2.337  -9.133
  144    HA   GLU  19           HA       GLU  19  73.368   3.053 -11.080
  145   1HB   GLU  19           HB2      GLU  19  74.567   0.718  -9.842
  146   2HB   GLU  19           HB1      GLU  19  72.818   0.524  -9.964
  147   1HG   GLU  19           HG2      GLU  19  74.290   1.606 -12.334
  148   2HG   GLU  19           HG1      GLU  19  74.401  -0.123 -11.998
  149    H    PHE  20           HN       PHE  20  73.340   2.390  -7.591
  150    HA   PHE  20           HA       PHE  20  70.454   2.387  -7.317
  151   1HB   PHE  20           HB2      PHE  20  72.814   2.730  -5.452
  152   2HB   PHE  20           HB1      PHE  20  71.148   2.717  -4.868
  153    HD1  PHE  20           HD1      PHE  20  69.664   0.714  -5.797
  154    HD2  PHE  20           HD2      PHE  20  73.955   0.699  -5.582
  155    HE1  PHE  20           HE1      PHE  20  69.659  -1.765  -5.860
  156    HE2  PHE  20           HE2      PHE  20  73.949  -1.780  -5.644
  157    HZ   PHE  20           HZ       PHE  20  71.801  -3.012  -5.782
  158    H    LYS  21           HN       LYS  21  72.959   4.876  -7.225
  159    HA   LYS  21           HA       LYS  21  71.587   6.999  -5.973
  160   1HB   LYS  21           HB2      LYS  21  73.994   6.758  -6.903
  161   2HB   LYS  21           HB1      LYS  21  73.309   7.293  -8.438
  162   1HG   LYS  21           HG2      LYS  21  72.442   9.331  -7.339
  163   2HG   LYS  21           HG1      LYS  21  73.154   8.803  -5.813
  164   1HD   LYS  21           HD2      LYS  21  75.369   8.650  -7.210
  165   2HD   LYS  21           HD1      LYS  21  74.530   9.740  -8.314
  166   1HE   LYS  21           HE2      LYS  21  75.038  10.231  -5.356
  167   2HE   LYS  21           HE1      LYS  21  75.787  11.093  -6.715
  168   1HZ   LYS  21           HZ2      LYS  21  73.257  11.329  -7.395
  169   2HZ   LYS  21           HZ1      LYS  21  73.047  11.239  -5.712
  170   3HZ   LYS  21           HZ3      LYS  21  74.019  12.458  -6.380
  171    H    ALA  22           HN       ALA  22  71.409   5.866  -9.349
  172    HA   ALA  22           HA       ALA  22  69.728   7.986 -10.324
  173   1HB   ALA  22           HB2      ALA  22  70.525   5.210 -11.127
  174   2HB   ALA  22           HB1      ALA  22  69.188   5.974 -11.986
  175   3HB   ALA  22           HB3      ALA  22  70.779   6.734 -11.979
  176    H    ALA  23           HN       ALA  23  68.820   4.581  -9.628
  177    HA   ALA  23           HA       ALA  23  66.026   4.897  -9.712
  178   1HB   ALA  23           HB1      ALA  23  67.777   2.885  -9.273
  179   2HB   ALA  23           HB3      ALA  23  67.200   3.126  -7.625
  180   3HB   ALA  23           HB2      ALA  23  66.058   2.737  -8.910
  181    H    PHE  24           HN       PHE  24  68.295   5.626  -7.093
  182    HA   PHE  24           HA       PHE  24  66.552   5.942  -4.909
  183   1HB   PHE  24           HB2      PHE  24  68.895   6.139  -4.582
  184   2HB   PHE  24           HB1      PHE  24  69.053   7.350  -5.854
  185    HD1  PHE  24           HD2      PHE  24  66.293   7.436  -3.418
  186    HD2  PHE  24           HD1      PHE  24  70.174   8.981  -4.417
  187    HE1  PHE  24           HE2      PHE  24  66.007   9.239  -1.739
  188    HE2  PHE  24           HE1      PHE  24  69.887  10.785  -2.739
  189    HZ   PHE  24           HZ       PHE  24  67.804  10.913  -1.400
  190    H    ASP  25           HN       ASP  25  67.532   8.482  -7.248
  191    HA   ASP  25           HA       ASP  25  65.630  10.424  -6.264
  192   1HB   ASP  25           HB2      ASP  25  66.931  10.270  -8.995
  193   2HB   ASP  25           HB1      ASP  25  66.445  11.720  -8.116
  194    H    ILE  26           HN       ILE  26  65.141   7.581  -7.990
  195    HA   ILE  26           HA       ILE  26  62.931   8.625  -9.668
  196    HB   ILE  26           HB       ILE  26  64.257   5.934  -9.269
  197   1HG1  ILE  26          HG12      ILE  26  64.315   8.107 -11.366
  198   2HG1  ILE  26          HG11      ILE  26  65.672   7.358 -10.528
  199   1HG2  ILE  26          HG21      ILE  26  61.751   5.860  -9.814
  200   2HG2  ILE  26          HG23      ILE  26  62.170   6.619 -11.350
  201   3HG2  ILE  26          HG22      ILE  26  62.820   5.030 -10.946
  202   1HD1  ILE  26          HD11      ILE  26  65.181   5.220 -11.685
  203   2HD1  ILE  26          HD13      ILE  26  63.870   6.013 -12.558
  204   3HD1  ILE  26          HD12      ILE  26  65.539   6.517 -12.826
  205    H    PHE  27           HN       PHE  27  63.446   6.994  -6.617
  206    HA   PHE  27           HA       PHE  27  60.635   6.087  -6.432
  207   1HB   PHE  27           HB2      PHE  27  62.901   6.026  -4.415
  208   2HB   PHE  27           HB1      PHE  27  61.431   5.052  -4.379
  209    HD1  PHE  27           HD2      PHE  27  61.058   4.067  -7.036
  210    HD2  PHE  27           HD1      PHE  27  64.740   4.676  -4.907
  211    HE1  PHE  27           HE2      PHE  27  62.159   2.350  -8.447
  212    HE2  PHE  27           HE1      PHE  27  65.840   2.959  -6.319
  213    HZ   PHE  27           HZ       PHE  27  64.549   1.795  -8.088
  214    H    VAL  28           HN       VAL  28  62.456   8.892  -5.715
  215    HA   VAL  28           HA       VAL  28  60.849   9.746  -3.407
  216    HB   VAL  28           HB       VAL  28  62.313  11.716  -3.584
  217   1HG1  VAL  28          HG11      VAL  28  63.110   9.139  -3.041
  218   2HG1  VAL  28          HG13      VAL  28  64.292   9.644  -4.248
  219   3HG1  VAL  28          HG12      VAL  28  64.095  10.574  -2.764
  220   1HG2  VAL  28          HG21      VAL  28  62.199  11.359  -6.254
  221   2HG2  VAL  28          HG23      VAL  28  63.493  12.270  -5.476
  222   3HG2  VAL  28          HG22      VAL  28  63.750  10.586  -5.931
  223    H    LEU  29           HN       LEU  29  60.122   9.501  -6.605
  224    HA   LEU  29           HA       LEU  29  59.197  11.995  -7.504
  225   1HB   LEU  29           HB2      LEU  29  58.553   9.128  -7.899
  226   2HB   LEU  29           HB1      LEU  29  57.310  10.263  -8.426
  227    HG   LEU  29           HG       LEU  29  58.969   9.726 -10.222
  228   1HD1  LEU  29          HD13      LEU  29  57.817  12.115  -9.615
  229   2HD1  LEU  29          HD12      LEU  29  59.519  12.575  -9.623
  230   3HD1  LEU  29          HD11      LEU  29  58.797  11.845 -11.056
  231   1HD2  LEU  29          HD22      LEU  29  60.829  10.942  -8.174
  232   2HD2  LEU  29          HD21      LEU  29  61.002   9.411  -9.032
  233   3HD2  LEU  29          HD23      LEU  29  61.227  10.935  -9.893
  234    H    GLY  30           HN       GLY  30  57.857   9.910  -5.015
  235   1HA   GLY  30           HA2      GLY  30  55.446  11.655  -4.837
  236   2HA   GLY  30           HA1      GLY  30  55.598  10.062  -4.096
  237    H    ALA  31           HN       ALA  31  58.467  11.014  -3.336
  238    HA   ALA  31           HA       ALA  31  58.007  11.605  -0.616
  239   1HB   ALA  31           HB3      ALA  31  60.125  10.888  -1.873
  240   2HB   ALA  31           HB2      ALA  31  60.342  12.593  -2.269
  241   3HB   ALA  31           HB1      ALA  31  60.354  12.072  -0.584
  242    H    GLU  32           HN       GLU  32  58.484  13.708   0.509
  243    HA   GLU  32           HA       GLU  32  57.226  15.973  -0.966
  244   1HB   GLU  32           HB2      GLU  32  57.734  15.288   1.939
  245   2HB   GLU  32           HB1      GLU  32  57.123  16.865   1.439
  246   1HG   GLU  32           HG2      GLU  32  55.804  14.256   0.653
  247   2HG   GLU  32           HG1      GLU  32  55.332  15.186   2.075
  248    H    ASP  33           HN       ASP  33  60.290  14.881   0.175
  249    HA   ASP  33           HA       ASP  33  61.421  17.635  -0.218
  250   1HB   ASP  33           HB2      ASP  33  63.012  17.081   1.529
  251   2HB   ASP  33           HB1      ASP  33  61.399  16.703   2.133
  252    H    GLY  34           HN       GLY  34  61.881  14.142  -0.660
  253   1HA   GLY  34           HA2      GLY  34  62.845  13.779  -3.069
  254   2HA   GLY  34           HA1      GLY  34  64.211  14.698  -2.434
  255    H    CYS  35           HN       CYS  35  62.259  12.274  -0.716
  256    HA   CYS  35           HA       CYS  35  64.731  10.584  -0.501
  257   1HB   CYS  35           HB2      CYS  35  62.597  11.333   1.516
  258   2HB   CYS  35           HB1      CYS  35  63.768  10.045   1.798
  259    HG   CYS  35           HG       CYS  35  64.521  12.577   2.633
  260    H    ILE  36           HN       ILE  36  63.921   8.280   0.402
  261    HA   ILE  36           HA       ILE  36  61.662   7.443  -1.383
  262    HB   ILE  36           HB       ILE  36  63.618   5.490  -0.243
  263   1HG1  ILE  36          HG12      ILE  36  64.350   7.335  -2.543
  264   2HG1  ILE  36          HG11      ILE  36  65.014   7.477  -0.915
  265   1HG2  ILE  36          HG21      ILE  36  61.970   5.881  -2.701
  266   2HG2  ILE  36          HG23      ILE  36  63.449   4.933  -2.852
  267   3HG2  ILE  36          HG22      ILE  36  62.194   4.435  -1.716
  268   1HD1  ILE  36          HD12      ILE  36  65.304   4.764  -1.601
  269   2HD1  ILE  36          HD11      ILE  36  65.784   5.666  -3.038
  270   3HD1  ILE  36          HD13      ILE  36  66.583   5.974  -1.497
  271    H    SER  37           HN       SER  37  59.988   7.790   0.199
  272    HA   SER  37           HA       SER  37  60.115   6.812   2.905
  273   1HB   SER  37           HB2      SER  37  57.543   7.073   2.580
  274   2HB   SER  37           HB1      SER  37  58.550   8.508   2.414
  275    HG   SER  37           HG       SER  37  56.896   7.563   0.654
  276    H    THR  38           HN       THR  38  58.832   4.987   3.763
  277    HA   THR  38           HA       THR  38  59.260   2.524   2.359
  278    HB   THR  38           HB       THR  38  59.122   2.843   4.823
  279    HG1  THR  38           HG1      THR  38  58.625   0.804   3.769
  280   1HG2  THR  38          HG21      THR  38  56.229   3.395   4.150
  281   2HG2  THR  38          HG23      THR  38  56.781   2.996   5.777
  282   3HG2  THR  38          HG22      THR  38  57.361   4.460   4.982
  283    H    LYS  39           HN       LYS  39  56.625   4.813   2.355
  284    HA   LYS  39           HA       LYS  39  54.430   3.211   1.592
  285   1HB   LYS  39           HB2      LYS  39  54.557   5.691   2.141
  286   2HB   LYS  39           HB1      LYS  39  55.153   5.944   0.499
  287   1HG   LYS  39           HG2      LYS  39  52.748   6.297   0.512
  288   2HG   LYS  39           HG1      LYS  39  53.095   4.807  -0.367
  289   1HD   LYS  39           HD2      LYS  39  52.494   3.457   1.541
  290   2HD   LYS  39           HD1      LYS  39  52.361   4.882   2.571
  291   1HE   LYS  39           HE2      LYS  39  50.679   5.322   0.305
  292   2HE   LYS  39           HE1      LYS  39  50.319   3.706   0.945
  293   1HZ   LYS  39           HZ3      LYS  39  50.493   4.865   3.217
  294   2HZ   LYS  39           HZ2      LYS  39  50.254   6.304   2.343
  295   3HZ   LYS  39           HZ1      LYS  39  49.075   5.081   2.312
  296    H    GLU  40           HN       GLU  40  57.167   4.374  -0.328
  297    HA   GLU  40           HA       GLU  40  56.013   3.055  -2.754
  298   1HB   GLU  40           HB2      GLU  40  57.015   5.556  -2.376
  299   2HB   GLU  40           HB1      GLU  40  58.473   4.708  -2.893
  300   1HG   GLU  40           HG2      GLU  40  57.741   4.560  -5.023
  301   2HG   GLU  40           HG1      GLU  40  56.155   3.983  -4.512
  302    H    LEU  41           HN       LEU  41  58.576   2.870  -0.404
  303    HA   LEU  41           HA       LEU  41  60.681   1.577  -1.638
  304   1HB   LEU  41           HB2      LEU  41  60.428   2.102   0.782
  305   2HB   LEU  41           HB1      LEU  41  59.295   0.759   0.937
  306    HG   LEU  41           HG       LEU  41  61.728   0.276   1.588
  307   1HD1  LEU  41          HD12      LEU  41  59.758  -1.303   0.475
  308   2HD1  LEU  41          HD11      LEU  41  61.147  -1.645  -0.557
  309   3HD1  LEU  41          HD13      LEU  41  61.258  -1.903   1.183
  310   1HD2  LEU  41          HD23      LEU  41  62.714   1.494  -0.360
  311   2HD2  LEU  41          HD22      LEU  41  63.273  -0.174  -0.252
  312   3HD2  LEU  41          HD21      LEU  41  62.038   0.267  -1.432
  313    H    GLY  42           HN       GLY  42  57.666  -0.020  -0.533
  314   1HA   GLY  42           HA2      GLY  42  58.225  -2.650  -1.284
  315   2HA   GLY  42           HA1      GLY  42  56.609  -1.949  -1.373
  316    H    LYS  43           HN       LYS  43  56.442  -0.341  -3.375
  317    HA   LYS  43           HA       LYS  43  56.502  -1.827  -5.757
  318   1HB   LYS  43           HB2      LYS  43  56.176   0.953  -4.879
  319   2HB   LYS  43           HB1      LYS  43  56.804   0.826  -6.522
  320   1HG   LYS  43           HG2      LYS  43  54.950  -0.591  -7.183
  321   2HG   LYS  43           HG1      LYS  43  54.364  -0.666  -5.520
  322   1HD   LYS  43           HD2      LYS  43  54.709   2.088  -6.375
  323   2HD   LYS  43           HD1      LYS  43  53.628   1.217  -7.465
  324   1HE   LYS  43           HE2      LYS  43  51.976   1.179  -5.911
  325   2HE   LYS  43           HE1      LYS  43  53.086   0.582  -4.660
  326   1HZ   LYS  43           HZ2      LYS  43  53.025   3.387  -5.639
  327   2HZ   LYS  43           HZ1      LYS  43  52.252   2.862  -4.221
  328   3HZ   LYS  43           HZ3      LYS  43  53.942   2.778  -4.345
  329    H    VAL  44           HN       VAL  44  58.977   0.393  -4.463
  330    HA   VAL  44           HA       VAL  44  60.767   0.427  -6.650
  331    HB   VAL  44           HB       VAL  44  61.266   0.416  -3.654
  332   1HG1  VAL  44          HG12      VAL  44  63.036   0.752  -6.001
  333   2HG1  VAL  44          HG11      VAL  44  63.195   2.000  -4.764
  334   3HG1  VAL  44          HG13      VAL  44  63.437   0.305  -4.343
  335   1HG2  VAL  44          HG21      VAL  44  60.131   2.346  -5.544
  336   2HG2  VAL  44          HG23      VAL  44  60.110   2.359  -3.780
  337   3HG2  VAL  44          HG22      VAL  44  61.503   3.000  -4.649
  338    H    MET  45           HN       MET  45  60.874  -1.755  -3.798
  339    HA   MET  45           HA       MET  45  62.991  -3.417  -4.588
  340   1HB   MET  45           HB2      MET  45  60.451  -3.774  -3.015
  341   2HB   MET  45           HB1      MET  45  61.516  -5.155  -3.272
  342   1HG   MET  45           HG2      MET  45  62.931  -2.715  -2.442
  343   2HG   MET  45           HG1      MET  45  61.790  -3.318  -1.239
  344   1HE   MET  45           HE3      MET  45  64.888  -2.923  -1.398
  345   2HE   MET  45           HE2      MET  45  64.446  -3.611   0.162
  346   3HE   MET  45           HE1      MET  45  65.722  -4.360  -0.793
  347    H    ARG  46           HN       ARG  46  59.583  -3.527  -5.592
  348    HA   ARG  46           HA       ARG  46  59.664  -6.025  -6.983
  349   1HB   ARG  46           HB2      ARG  46  57.994  -3.539  -6.958
  350   2HB   ARG  46           HB1      ARG  46  57.730  -4.706  -8.253
  351   1HG   ARG  46           HG2      ARG  46  57.765  -6.429  -6.219
  352   2HG   ARG  46           HG1      ARG  46  57.266  -4.998  -5.316
  353   1HD   ARG  46           HD2      ARG  46  55.886  -6.022  -7.825
  354   2HD   ARG  46           HD1      ARG  46  55.292  -6.251  -6.168
  355    HE   ARG  46           HE       ARG  46  55.905  -3.463  -6.834
  356   1HH1  ARG  46          HH11      ARG  46  53.726  -5.094  -5.126
  357   2HH1  ARG  46          HH12      ARG  46  52.298  -4.434  -5.851
  358   1HH2  ARG  46          HH21      ARG  46  53.995  -2.985  -8.507
  359   2HH2  ARG  46          HH22      ARG  46  52.450  -3.238  -7.765
  360    H    MET  47           HN       MET  47  60.728  -2.794  -7.885
  361    HA   MET  47           HA       MET  47  60.947  -3.419 -10.743
  362   1HB   MET  47           HB2      MET  47  62.137  -1.154  -9.113
  363   2HB   MET  47           HB1      MET  47  61.834  -1.160 -10.850
  364   1HG   MET  47           HG2      MET  47  59.470  -1.155 -10.540
  365   2HG   MET  47           HG1      MET  47  59.620  -1.553  -8.829
  366   1HE   MET  47           HE1      MET  47  60.903   0.924 -11.500
  367   2HE   MET  47           HE3      MET  47  61.383   2.327 -10.535
  368   3HE   MET  47           HE2      MET  47  62.237   0.796 -10.358
  369    H    LEU  48           HN       LEU  48  63.346  -2.675  -8.176
  370    HA   LEU  48           HA       LEU  48  65.684  -3.284  -9.631
  371   1HB   LEU  48           HB2      LEU  48  65.011  -3.698  -6.698
  372   2HB   LEU  48           HB1      LEU  48  66.646  -3.617  -7.357
  373    HG   LEU  48           HG       LEU  48  64.675  -1.394  -7.856
  374   1HD1  LEU  48          HD11      LEU  48  66.066  -2.100  -5.338
  375   2HD1  LEU  48          HD13      LEU  48  66.235  -0.420  -5.849
  376   3HD1  LEU  48          HD12      LEU  48  64.630  -1.106  -5.591
  377   1HD2  LEU  48          HD21      LEU  48  67.460  -1.975  -8.426
  378   2HD2  LEU  48          HD23      LEU  48  66.455  -0.658  -9.031
  379   3HD2  LEU  48          HD22      LEU  48  67.313  -0.481  -7.500
  380    H    GLY  49           HN       GLY  49  63.321  -5.435  -8.168
  381   1HA   GLY  49           HA2      GLY  49  63.211  -7.717  -9.210
  382   2HA   GLY  49           HA1      GLY  49  64.970  -7.757  -9.089
  383    H    GLN  50           HN       GLN  50  62.974  -6.414  -6.537
  384    HA   GLN  50           HA       GLN  50  63.801  -8.711  -4.794
  385   1HB   GLN  50           HB2      GLN  50  63.081  -5.857  -4.053
  386   2HB   GLN  50           HB1      GLN  50  63.822  -7.066  -3.003
  387   1HG   GLN  50           HG2      GLN  50  65.134  -6.208  -5.582
  388   2HG   GLN  50           HG1      GLN  50  65.392  -5.323  -4.079
  389   1HE2  GLN  50          HE22      GLN  50  68.094  -7.624  -3.669
  390   2HE2  GLN  50          HE21      GLN  50  67.692  -6.044  -4.141
  391    H    ASN  51           HN       ASN  51  62.217  -9.239  -3.044
  392    HA   ASN  51           HA       ASN  51  59.403  -8.430  -3.615
  393   1HB   ASN  51           HB2      ASN  51  60.697 -10.931  -4.279
  394   2HB   ASN  51           HB1      ASN  51  59.399 -11.214  -3.119
  395   1HD2  ASN  51          HD22      ASN  51  58.495 -10.092  -6.927
  396   2HD2  ASN  51          HD21      ASN  51  60.108 -10.204  -6.412
  397    HA   PRO  52           HA       PRO  52  60.525  -8.864   0.889
  398   1HB   PRO  52           HB2      PRO  52  59.987  -6.280   1.606
  399   2HB   PRO  52           HB1      PRO  52  61.577  -6.805   1.018
  400   1HG   PRO  52           HG2      PRO  52  59.418  -5.350  -0.409
  401   2HG   PRO  52           HG1      PRO  52  61.174  -5.190  -0.550
  402   1HD   PRO  52           HD2      PRO  52  59.583  -6.545  -2.341
  403   2HD   PRO  52           HD1      PRO  52  61.321  -6.837  -2.114
  404    H    THR  53           HN       THR  53  58.936  -9.081   2.547
  405    HA   THR  53           HA       THR  53  56.149  -9.109   1.636
  406    HB   THR  53           HB       THR  53  56.255  -9.631   4.376
  407    HG1  THR  53           HG1      THR  53  58.454 -10.965   3.314
  408   1HG2  THR  53          HG21      THR  53  55.289 -10.919   2.331
  409   2HG2  THR  53          HG23      THR  53  56.853 -11.735   2.309
  410   3HG2  THR  53          HG22      THR  53  55.821 -11.847   3.734
  411    HA   PRO  54           HA       PRO  54  54.732  -5.389   3.492
  412   1HB   PRO  54           HB2      PRO  54  52.625  -6.134   5.077
  413   2HB   PRO  54           HB1      PRO  54  52.547  -6.135   3.303
  414   1HG   PRO  54           HG2      PRO  54  52.976  -8.407   5.179
  415   2HG   PRO  54           HG1      PRO  54  52.020  -8.339   3.690
  416   1HD   PRO  54           HD2      PRO  54  54.491  -9.466   3.822
  417   2HD   PRO  54           HD1      PRO  54  53.839  -8.716   2.347
  418    H    GLU  55           HN       GLU  55  54.620  -7.919   6.032
  419    HA   GLU  55           HA       GLU  55  55.139  -6.164   8.236
  420   1HB   GLU  55           HB2      GLU  55  54.481  -8.808   7.799
  421   2HB   GLU  55           HB1      GLU  55  56.132  -8.935   8.408
  422   1HG   GLU  55           HG2      GLU  55  55.210  -7.158  10.180
  423   2HG   GLU  55           HG1      GLU  55  53.678  -7.934   9.779
  424    H    GLU  56           HN       GLU  56  57.179  -7.394   5.745
  425    HA   GLU  56           HA       GLU  56  59.675  -7.130   7.307
  426   1HB   GLU  56           HB2      GLU  56  58.752  -8.162   4.680
  427   2HB   GLU  56           HB1      GLU  56  60.400  -7.533   4.714
  428   1HG   GLU  56           HG2      GLU  56  59.898  -9.143   7.064
  429   2HG   GLU  56           HG1      GLU  56  59.534 -10.063   5.604
  430    H    LEU  57           HN       LEU  57  57.852  -5.368   4.838
  431    HA   LEU  57           HA       LEU  57  59.736  -3.536   3.886
  432   1HB   LEU  57           HB2      LEU  57  56.860  -3.786   4.178
  433   2HB   LEU  57           HB1      LEU  57  57.356  -2.103   4.359
  434    HG   LEU  57           HG       LEU  57  58.818  -2.560   2.245
  435   1HD1  LEU  57          HD11      LEU  57  58.446  -5.008   2.249
  436   2HD1  LEU  57          HD13      LEU  57  56.719  -4.739   2.008
  437   3HD1  LEU  57          HD12      LEU  57  57.868  -4.273   0.754
  438   1HD2  LEU  57          HD21      LEU  57  56.832  -1.065   2.340
  439   2HD2  LEU  57          HD23      LEU  57  56.936  -1.921   0.802
  440   3HD2  LEU  57          HD22      LEU  57  55.791  -2.454   2.033
  441    H    GLN  58           HN       GLN  58  57.406  -2.310   6.260
  442    HA   GLN  58           HA       GLN  58  58.848  -0.194   7.284
  443   1HB   GLN  58           HB2      GLN  58  56.497  -1.261   7.824
  444   2HB   GLN  58           HB1      GLN  58  57.367  -2.018   9.158
  445   1HG   GLN  58           HG2      GLN  58  57.043   0.939   8.605
  446   2HG   GLN  58           HG1      GLN  58  56.500   0.038  10.021
  447   1HE2  GLN  58          HE22      GLN  58  60.393   1.251   9.762
  448   2HE2  GLN  58          HE21      GLN  58  59.354   1.416   8.429
  449    H    GLU  59           HN       GLU  59  58.951  -3.516   8.646
  450    HA   GLU  59           HA       GLU  59  60.896  -3.099  10.638
  451   1HB   GLU  59           HB2      GLU  59  59.502  -5.143  10.186
  452   2HB   GLU  59           HB1      GLU  59  60.570  -5.515   8.831
  453   1HG   GLU  59           HG2      GLU  59  62.492  -5.646  10.346
  454   2HG   GLU  59           HG1      GLU  59  61.468  -5.203  11.711
  455    H    MET  60           HN       MET  60  61.460  -4.186   7.264
  456    HA   MET  60           HA       MET  60  64.268  -4.316   7.311
  457   1HB   MET  60           HB2      MET  60  62.828  -5.062   5.467
  458   2HB   MET  60           HB1      MET  60  62.378  -3.392   5.123
  459   1HG   MET  60           HG2      MET  60  64.287  -3.012   3.972
  460   2HG   MET  60           HG1      MET  60  65.278  -3.771   5.218
  461   1HE   MET  60           HE1      MET  60  65.766  -6.180   5.471
  462   2HE   MET  60           HE3      MET  60  64.056  -6.626   5.521
  463   3HE   MET  60           HE2      MET  60  65.166  -7.495   4.464
  464    H    ILE  61           HN       ILE  61  62.165  -1.484   7.078
  465    HA   ILE  61           HA       ILE  61  64.494   0.304   6.625
  466    HB   ILE  61           HB       ILE  61  61.495   0.733   6.809
  467   1HG1  ILE  61          HG12      ILE  61  63.168   1.096   4.344
  468   2HG1  ILE  61          HG11      ILE  61  62.711  -0.537   4.829
  469   1HG2  ILE  61          HG21      ILE  61  63.675   2.602   6.972
  470   2HG2  ILE  61          HG23      ILE  61  62.811   2.855   5.455
  471   3HG2  ILE  61          HG22      ILE  61  61.942   2.930   6.987
  472   1HD1  ILE  61          HD12      ILE  61  60.369   0.995   5.099
  473   2HD1  ILE  61          HD11      ILE  61  61.088   1.512   3.574
  474   3HD1  ILE  61          HD13      ILE  61  60.716  -0.191   3.841
  475    H    ASP  62           HN       ASP  62  62.830  -1.053   9.237
  476    HA   ASP  62           HA       ASP  62  63.300   1.295  11.016
  477   1HB   ASP  62           HB2      ASP  62  61.137  -0.201  10.772
  478   2HB   ASP  62           HB1      ASP  62  62.024  -1.302  11.827
  479    H    GLU  63           HN       GLU  63  65.047  -1.283   9.933
  480    HA   GLU  63           HA       GLU  63  66.396  -1.687  12.584
  481   1HB   GLU  63           HB2      GLU  63  66.896  -3.922  11.805
  482   2HB   GLU  63           HB1      GLU  63  65.183  -3.631  11.506
  483   1HG   GLU  63           HG2      GLU  63  65.661  -3.068   9.167
  484   2HG   GLU  63           HG1      GLU  63  67.388  -3.286   9.453
  485    H    VAL  64           HN       VAL  64  66.729  -0.485   9.390
  486    HA   VAL  64           HA       VAL  64  69.720  -0.574   9.595
  487    HB   VAL  64           HB       VAL  64  68.396  -1.649   7.656
  488   1HG1  VAL  64          HG13      VAL  64  67.000   0.617   7.575
  489   2HG1  VAL  64          HG12      VAL  64  68.297   1.098   6.480
  490   3HG1  VAL  64          HG11      VAL  64  67.309  -0.316   6.111
  491   1HG2  VAL  64          HG22      VAL  64  70.497   0.465   7.083
  492   2HG2  VAL  64          HG21      VAL  64  70.807  -1.212   7.530
  493   3HG2  VAL  64          HG23      VAL  64  70.050  -0.837   5.982
  494    H    ASP  65           HN       ASP  65  66.924   1.490   9.480
  495    HA   ASP  65           HA       ASP  65  67.979   3.923   8.512
  496   1HB   ASP  65           HB2      ASP  65  65.651   2.977   9.658
  497   2HB   ASP  65           HB1      ASP  65  66.228   4.121  10.869
  498    H    GLU  66           HN       GLU  66  69.512   5.311   9.325
  499    HA   GLU  66           HA       GLU  66  70.641   4.737  12.023
  500   1HB   GLU  66           HB2      GLU  66  71.570   6.377   9.643
  501   2HB   GLU  66           HB1      GLU  66  72.490   6.191  11.137
  502   1HG   GLU  66           HG2      GLU  66  72.603   3.773  10.809
  503   2HG   GLU  66           HG1      GLU  66  71.593   3.897   9.367
  504    H    ASP  67           HN       ASP  67  68.082   6.076  11.923
  505    HA   ASP  67           HA       ASP  67  68.722   8.457  13.486
  506   1HB   ASP  67           HB2      ASP  67  67.436   9.930  11.803
  507   2HB   ASP  67           HB1      ASP  67  69.070   9.446  11.350
  508    H    GLY  68           HN       GLY  68  66.278   6.551  11.752
  509   1HA   GLY  68           HA2      GLY  68  64.276   5.692  12.757
  510   2HA   GLY  68           HA1      GLY  68  64.484   6.831  14.087
  511    H    SER  69           HN       SER  69  64.726   7.868  10.749
  512    HA   SER  69           HA       SER  69  62.602   9.836  11.152
  513   1HB   SER  69           HB2      SER  69  63.397  10.686   9.098
  514   2HB   SER  69           HB1      SER  69  64.828   9.932   9.796
  515    HG   SER  69           HG       SER  69  64.369   9.368   7.563
  516    H    GLY  70           HN       GLY  70  63.008   6.869   9.209
  517   1HA   GLY  70           HA2      GLY  70  61.063   5.384   8.892
  518   2HA   GLY  70           HA1      GLY  70  60.040   6.822   8.866
  519    H    THR  71           HN       THR  71  63.018   7.150   7.207
  520    HA   THR  71           HA       THR  71  61.693   6.547   4.587
  521    HB   THR  71           HB       THR  71  62.989   8.690   3.866
  522    HG1  THR  71           HG1      THR  71  64.068   9.532   5.437
  523   1HG2  THR  71          HG23      THR  71  60.568   8.716   5.680
  524   2HG2  THR  71          HG22      THR  71  61.117  10.134   4.785
  525   3HG2  THR  71          HG21      THR  71  60.590   8.692   3.917
  526    H    VAL  72           HN       VAL  72  63.305   6.212   2.827
  527    HA   VAL  72           HA       VAL  72  65.880   5.128   3.909
  528    HB   VAL  72           HB       VAL  72  64.670   4.442   1.238
  529   1HG1  VAL  72          HG13      VAL  72  66.945   3.651   1.962
  530   2HG1  VAL  72          HG12      VAL  72  66.160   2.776   3.277
  531   3HG1  VAL  72          HG11      VAL  72  65.813   2.348   1.602
  532   1HG2  VAL  72          HG22      VAL  72  63.768   3.482   3.963
  533   2HG2  VAL  72          HG21      VAL  72  62.773   4.105   2.647
  534   3HG2  VAL  72          HG23      VAL  72  63.527   2.518   2.506
  535    H    ASP  73           HN       ASP  73  67.482   6.636   3.542
  536    HA   ASP  73           HA       ASP  73  67.367   8.359   1.129
  537   1HB   ASP  73           HB2      ASP  73  69.263   8.224   3.499
  538   2HB   ASP  73           HB1      ASP  73  69.227   9.510   2.291
  539    H    PHE  74           HN       PHE  74  69.500   8.607  -0.098
  540    HA   PHE  74           HA       PHE  74  70.340   6.264  -1.355
  541   1HB   PHE  74           HB2      PHE  74  70.808   8.543  -2.129
  542   2HB   PHE  74           HB1      PHE  74  71.881   8.810  -0.755
  543    HD1  PHE  74           HD2      PHE  74  71.376   6.360  -3.554
  544    HD2  PHE  74           HD1      PHE  74  74.165   8.464  -1.055
  545    HE1  PHE  74           HE2      PHE  74  73.261   5.378  -4.832
  546    HE2  PHE  74           HE1      PHE  74  76.051   7.483  -2.334
  547    HZ   PHE  74           HZ       PHE  74  75.598   5.940  -4.223
  548    H    ASP  75           HN       ASP  75  71.260   7.462   1.791
  549    HA   ASP  75           HA       ASP  75  73.680   5.825   2.022
  550   1HB   ASP  75           HB2      ASP  75  72.485   8.025   3.295
  551   2HB   ASP  75           HB1      ASP  75  72.471   6.741   4.504
  552    H    GLU  76           HN       GLU  76  70.718   5.817   4.041
  553    HA   GLU  76           HA       GLU  76  71.086   3.176   5.045
  554   1HB   GLU  76           HB2      GLU  76  68.613   4.889   4.642
  555   2HB   GLU  76           HB1      GLU  76  68.666   3.447   5.656
  556   1HG   GLU  76           HG2      GLU  76  70.017   4.448   7.254
  557   2HG   GLU  76           HG1      GLU  76  70.712   5.589   6.102
  558    H    PHE  77           HN       PHE  77  69.460   4.369   2.133
  559    HA   PHE  77           HA       PHE  77  67.927   2.168   1.351
  560   1HB   PHE  77           HB2      PHE  77  68.101   4.341   0.185
  561   2HB   PHE  77           HB1      PHE  77  69.736   3.930  -0.335
  562    HD1  PHE  77           HD1      PHE  77  66.364   2.272  -0.279
  563    HD2  PHE  77           HD2      PHE  77  69.921   3.158  -2.519
  564    HE1  PHE  77           HE1      PHE  77  65.439   1.052  -2.230
  565    HE2  PHE  77           HE2      PHE  77  68.995   1.937  -4.471
  566    HZ   PHE  77           HZ       PHE  77  66.754   0.884  -4.325
  567    H    LEU  78           HN       LEU  78  71.425   2.665   0.732
  568    HA   LEU  78           HA       LEU  78  71.765   0.088  -0.559
  569   1HB   LEU  78           HB2      LEU  78  73.445   2.352   0.433
  570   2HB   LEU  78           HB1      LEU  78  74.252   0.817   0.108
  571    HG   LEU  78           HG       LEU  78  72.336   1.855  -1.938
  572   1HD1  LEU  78          HD11      LEU  78  75.137   2.916  -1.473
  573   2HD1  LEU  78          HD13      LEU  78  74.237   3.139  -2.972
  574   3HD1  LEU  78          HD12      LEU  78  73.639   3.845  -1.471
  575   1HD2  LEU  78          HD22      LEU  78  74.352  -0.180  -1.678
  576   2HD2  LEU  78          HD21      LEU  78  73.243   0.100  -3.021
  577   3HD2  LEU  78          HD23      LEU  78  74.807   0.914  -2.983
  578    H    VAL  79           HN       VAL  79  72.558   1.330   2.710
  579    HA   VAL  79           HA       VAL  79  73.817  -0.902   3.824
  580    HB   VAL  79           HB       VAL  79  71.732   0.962   5.005
  581   1HG1  VAL  79          HG13      VAL  79  72.314  -1.238   6.259
  582   2HG1  VAL  79          HG12      VAL  79  73.885  -0.487   6.538
  583   3HG1  VAL  79          HG11      VAL  79  72.421   0.279   7.152
  584   1HG2  VAL  79          HG21      VAL  79  74.266   1.502   3.976
  585   2HG2  VAL  79          HG23      VAL  79  73.373   2.519   5.107
  586   3HG2  VAL  79          HG22      VAL  79  74.544   1.348   5.712
  587    H    MET  80           HN       MET  80  70.452  -0.535   2.914
  588    HA   MET  80           HA       MET  80  69.457  -2.802   4.447
  589   1HB   MET  80           HB2      MET  80  68.468  -0.656   2.907
  590   2HB   MET  80           HB1      MET  80  67.940  -2.117   2.069
  591   1HG   MET  80           HG2      MET  80  66.740  -2.903   3.926
  592   2HG   MET  80           HG1      MET  80  67.638  -1.887   5.055
  593   1HE   MET  80           HE1      MET  80  66.149  -1.637   1.748
  594   2HE   MET  80           HE3      MET  80  64.472  -1.657   2.310
  595   3HE   MET  80           HE2      MET  80  65.180  -0.166   1.694
  596    H    MET  81           HN       MET  81  70.309  -2.288   1.005
  597    HA   MET  81           HA       MET  81  69.756  -4.924   0.084
  598   1HB   MET  81           HB2      MET  81  70.974  -2.476  -0.805
  599   2HB   MET  81           HB1      MET  81  72.002  -3.825  -1.287
  600   1HG   MET  81           HG2      MET  81  70.513  -4.531  -2.832
  601   2HG   MET  81           HG1      MET  81  69.167  -4.394  -1.700
  602   1HE   MET  81           HE3      MET  81  67.550  -3.769  -2.780
  603   2HE   MET  81           HE2      MET  81  67.128  -2.138  -3.298
  604   3HE   MET  81           HE1      MET  81  67.852  -3.259  -4.447
  605    H    VAL  82           HN       VAL  82  72.881  -3.503   1.131
  606    HA   VAL  82           HA       VAL  82  74.462  -5.844   0.919
  607    HB   VAL  82           HB       VAL  82  75.459  -3.694   1.263
  608   1HG1  VAL  82          HG12      VAL  82  73.255  -3.311   2.992
  609   2HG1  VAL  82          HG11      VAL  82  74.697  -3.135   3.991
  610   3HG1  VAL  82          HG13      VAL  82  74.489  -2.129   2.557
  611   1HG2  VAL  82          HG22      VAL  82  76.280  -5.831   2.649
  612   2HG2  VAL  82          HG21      VAL  82  77.056  -4.258   2.832
  613   3HG2  VAL  82          HG23      VAL  82  75.860  -4.792   4.011
  614    H    ARG  83           HN       ARG  83  72.220  -4.807   3.447
  615    HA   ARG  83           HA       ARG  83  73.008  -6.591   5.527
  616   1HB   ARG  83           HB2      ARG  83  70.685  -4.950   4.728
  617   2HB   ARG  83           HB1      ARG  83  70.290  -6.302   5.787
  618   1HG   ARG  83           HG2      ARG  83  72.197  -5.526   7.287
  619   2HG   ARG  83           HG1      ARG  83  72.253  -4.060   6.308
  620   1HD   ARG  83           HD2      ARG  83  70.765  -3.386   7.977
  621   2HD   ARG  83           HD1      ARG  83  69.621  -4.069   6.806
  622    HE   ARG  83           HE       ARG  83  69.378  -5.990   8.203
  623   1HH1  ARG  83          HH21      ARG  83  72.077  -4.053   9.121
  624   2HH1  ARG  83          HH22      ARG  83  72.213  -4.755  10.698
  625   1HH2  ARG  83          HH11      ARG  83  69.469  -6.837  10.301
  626   2HH2  ARG  83          HH12      ARG  83  70.739  -6.332  11.365
  627    H    CYS  84           HN       CYS  84  70.415  -6.983   3.077
  628    HA   CYS  84           HA       CYS  84  69.969  -9.778   3.783
  629   1HB   CYS  84           HB2      CYS  84  68.479  -7.844   2.682
  630   2HB   CYS  84           HB1      CYS  84  69.084  -8.572   1.194
  631    HG   CYS  84           HG       CYS  84  67.047 -10.013   1.701
  632    H    MET  85           HN       MET  85  72.263  -8.147   1.838
  633    HA   MET  85           HA       MET  85  72.622 -10.163  -0.222
  634   1HB   MET  85           HB2      MET  85  73.945  -7.694   0.790
  635   2HB   MET  85           HB1      MET  85  74.954  -8.799  -0.145
  636   1HG   MET  85           HG2      MET  85  72.855  -8.808  -1.769
  637   2HG   MET  85           HG1      MET  85  72.540  -7.250  -1.003
  638   1HE   MET  85           HE1      MET  85  73.562  -5.211  -1.427
  639   2HE   MET  85           HE3      MET  85  74.473  -4.903  -2.911
  640   3HE   MET  85           HE2      MET  85  72.885  -5.661  -2.990
  641    H    LYS  86           HN       LYS  86  74.420  -9.355   2.773
  642    HA   LYS  86           HA       LYS  86  75.561 -12.132   2.704
  643   1HB   LYS  86           HB2      LYS  86  77.015 -10.000   2.223
  644   2HB   LYS  86           HB1      LYS  86  76.920  -9.762   3.969
  645   1HG   LYS  86           HG2      LYS  86  77.561 -12.524   3.178
  646   2HG   LYS  86           HG1      LYS  86  78.784 -11.343   2.707
  647   1HD   LYS  86           HD2      LYS  86  77.669 -11.131   5.466
  648   2HD   LYS  86           HD1      LYS  86  78.777 -12.464   5.139
  649   1HE   LYS  86           HE2      LYS  86  80.253 -10.586   4.014
  650   2HE   LYS  86           HE1      LYS  86  79.306  -9.507   5.058
  651   1HZ   LYS  86           HZ2      LYS  86  79.769 -11.217   6.867
  652   2HZ   LYS  86           HZ1      LYS  86  80.991 -11.808   5.844
  653   3HZ   LYS  86           HZ3      LYS  86  81.060 -10.211   6.410
  654    H    ASP  87           HN       ASP  87  74.879 -13.305   4.451
  655    HA   ASP  87           HA       ASP  87  74.403 -11.871   7.035
  656   1HB   ASP  87           HB2      ASP  87  72.490 -13.005   5.253
  657   2HB   ASP  87           HB1      ASP  87  72.557 -14.044   6.676
  658    H    ASP  88           HN       ASP  88  73.780 -13.946   8.653
  659    HA   ASP  88           HA       ASP  88  74.700 -15.797   9.803
  660   1HB   ASP  88           HB2      ASP  88  74.292 -16.501   7.211
  661   2HB   ASP  88           HB1      ASP  88  76.034 -16.755   7.326
  662    H    SER  89           HN       SER  89  76.789 -16.563  10.624
  663    HA   SER  89           HA       SER  89  78.886 -14.528  10.467
  664   1HB   SER  89           HB2      SER  89  79.609 -15.553  12.400
  665   2HB   SER  89           HB1      SER  89  77.971 -16.202  12.376
  666    HG   SER  89           HG       SER  89  78.778 -18.106  12.021
   
  No H/Q in entry =         666
  Start of MODEL   37
    1   1H    MET   1           HT1      MET   1  81.897  -7.039  15.506
    2   2H    MET   1           HT3      MET   1  81.913  -8.103  16.826
    3   3H    MET   1           HT2      MET   1  80.747  -8.285  15.604
    4    HA   MET   1           HA       MET   1  79.403  -6.695  16.443
    5   1HB   MET   1           HB2      MET   1  80.241  -8.344  18.253
    6   2HB   MET   1           HB1      MET   1  81.197  -6.989  18.857
    7   1HG   MET   1           HG2      MET   1  78.861  -5.720  18.650
    8   2HG   MET   1           HG1      MET   1  78.231  -7.357  18.837
    9   1HE   MET   1           HE2      MET   1  77.968  -4.721  20.544
   10   2HE   MET   1           HE1      MET   1  77.082  -6.111  21.165
   11   3HE   MET   1           HE3      MET   1  78.137  -5.179  22.236
   12    H    ASP   2           HN       ASP   2  81.344  -5.311  14.978
   13    HA   ASP   2           HA       ASP   2  81.424  -2.747  16.432
   14   1HB   ASP   2           HB2      ASP   2  83.946  -2.636  15.998
   15   2HB   ASP   2           HB1      ASP   2  83.437  -3.761  17.259
   16    H    ASP   3           HN       ASP   3  80.044  -2.165  14.598
   17    HA   ASP   3           HA       ASP   3  79.669  -1.279  12.441
   18   1HB   ASP   3           HB2      ASP   3  82.662  -1.003  12.801
   19   2HB   ASP   3           HB1      ASP   3  81.785  -0.297  11.443
   20    H    ILE   4           HN       ILE   4  78.980  -2.968  11.165
   21    HA   ILE   4           HA       ILE   4  81.083  -4.512   9.694
   22    HB   ILE   4           HB       ILE   4  79.674  -6.479   9.941
   23   1HG1  ILE   4          HG12      ILE   4  77.743  -4.533  11.229
   24   2HG1  ILE   4          HG11      ILE   4  77.477  -5.503   9.779
   25   1HG2  ILE   4          HG21      ILE   4  80.969  -5.178  12.039
   26   2HG2  ILE   4          HG23      ILE   4  79.403  -5.622  12.717
   27   3HG2  ILE   4          HG22      ILE   4  80.448  -6.864  12.027
   28   1HD1  ILE   4          HD11      ILE   4  77.871  -7.552  11.283
   29   2HD1  ILE   4          HD13      ILE   4  77.680  -6.446  12.642
   30   3HD1  ILE   4          HD12      ILE   4  76.353  -6.685  11.506
   31    H    TYR   5           HN       TYR   5  77.902  -2.986   9.685
   32    HA   TYR   5           HA       TYR   5  77.355  -3.700   6.885
   33   1HB   TYR   5           HB2      TYR   5  76.025  -1.847   8.892
   34   2HB   TYR   5           HB1      TYR   5  75.344  -2.281   7.324
   35    HD1  TYR   5           HD1      TYR   5  75.080  -4.820   6.820
   36    HD2  TYR   5           HD2      TYR   5  75.612  -3.203  10.764
   37    HE1  TYR   5           HE1      TYR   5  74.142  -6.898   7.799
   38    HE2  TYR   5           HE2      TYR   5  74.676  -5.280  11.743
   39    HH   TYR   5           HH       TYR   5  73.497  -7.169  11.256
   40    H    LYS   6           HN       LYS   6  78.506  -0.894   8.730
   41    HA   LYS   6           HA       LYS   6  78.342   1.091   6.705
   42   1HB   LYS   6           HB2      LYS   6  79.881   2.278   8.112
   43   2HB   LYS   6           HB1      LYS   6  78.919   1.272   9.193
   44   1HG   LYS   6           HG2      LYS   6  80.809   0.324   9.949
   45   2HG   LYS   6           HG1      LYS   6  81.112  -0.312   8.333
   46   1HD   LYS   6           HD2      LYS   6  82.059   2.026   7.789
   47   2HD   LYS   6           HD1      LYS   6  82.080   2.282   9.534
   48   1HE   LYS   6           HE2      LYS   6  83.283  -0.129   9.463
   49   2HE   LYS   6           HE1      LYS   6  83.776   0.481   7.871
   50   1HZ   LYS   6           HZ3      LYS   6  84.436   2.568   8.948
   51   2HZ   LYS   6           HZ2      LYS   6  84.056   1.906  10.466
   52   3HZ   LYS   6           HZ1      LYS   6  85.321   1.250   9.542
   53    H    ALA   7           HN       ALA   7  80.406  -1.677   6.992
   54    HA   ALA   7           HA       ALA   7  82.395  -0.620   5.058
   55   1HB   ALA   7           HB3      ALA   7  82.263  -2.564   7.176
   56   2HB   ALA   7           HB2      ALA   7  82.772  -3.372   5.693
   57   3HB   ALA   7           HB1      ALA   7  83.686  -1.994   6.306
   58    H    ALA   8           HN       ALA   8  79.922  -3.167   5.337
   59    HA   ALA   8           HA       ALA   8  80.314  -4.391   2.786
   60   1HB   ALA   8           HB2      ALA   8  78.889  -4.991   4.917
   61   2HB   ALA   8           HB1      ALA   8  77.627  -4.068   4.102
   62   3HB   ALA   8           HB3      ALA   8  78.313  -5.495   3.328
   63    H    VAL   9           HN       VAL   9  78.602  -1.473   3.777
   64    HA   VAL   9           HA       VAL   9  77.194  -1.125   1.237
   65    HB   VAL   9           HB       VAL   9  77.723   0.528   3.713
   66   1HG1  VAL   9          HG12      VAL   9  76.195   1.307   1.212
   67   2HG1  VAL   9          HG11      VAL   9  76.082   2.165   2.749
   68   3HG1  VAL   9          HG13      VAL   9  77.614   2.116   1.876
   69   1HG2  VAL   9          HG23      VAL   9  75.934  -1.491   3.194
   70   2HG2  VAL   9          HG22      VAL   9  75.685  -0.224   4.395
   71   3HG2  VAL   9          HG21      VAL   9  74.985  -0.062   2.785
   72    H    GLU  10           HN       GLU  10  80.128   0.212   2.762
   73    HA   GLU  10           HA       GLU  10  80.710   2.052   0.584
   74   1HB   GLU  10           HB2      GLU  10  81.935   1.067   3.111
   75   2HB   GLU  10           HB1      GLU  10  83.052   1.722   1.914
   76   1HG   GLU  10           HG2      GLU  10  81.385   3.705   1.754
   77   2HG   GLU  10           HG1      GLU  10  80.749   3.102   3.284
   78    H    GLN  11           HN       GLN  11  81.144  -1.333   1.074
   79    HA   GLN  11           HA       GLN  11  83.514  -1.765  -0.507
   80   1HB   GLN  11           HB2      GLN  11  81.416  -3.249   0.852
   81   2HB   GLN  11           HB1      GLN  11  81.827  -4.009  -0.687
   82   1HG   GLN  11           HG2      GLN  11  83.598  -4.919   0.375
   83   2HG   GLN  11           HG1      GLN  11  84.298  -3.299   0.390
   84   1HE2  GLN  11          HE22      GLN  11  84.004  -2.973   3.878
   85   2HE2  GLN  11          HE21      GLN  11  84.669  -2.394   2.427
   86    H    LEU  12           HN       LEU  12  80.077  -1.457  -1.304
   87    HA   LEU  12           HA       LEU  12  79.905  -2.502  -3.872
   88   1HB   LEU  12           HB2      LEU  12  78.837   0.084  -2.700
   89   2HB   LEU  12           HB1      LEU  12  78.271  -0.594  -4.227
   90    HG   LEU  12           HG       LEU  12  78.318  -2.339  -1.788
   91   1HD1  LEU  12          HD11      LEU  12  76.523  -0.010  -2.308
   92   2HD1  LEU  12          HD13      LEU  12  75.783  -1.487  -1.692
   93   3HD1  LEU  12          HD12      LEU  12  77.061  -0.692  -0.773
   94   1HD2  LEU  12          HD22      LEU  12  77.703  -2.875  -4.336
   95   2HD2  LEU  12          HD21      LEU  12  76.836  -3.636  -3.001
   96   3HD2  LEU  12          HD23      LEU  12  76.135  -2.245  -3.829
   97    H    THR  13           HN       THR  13  80.934  -2.066  -5.791
   98    HA   THR  13           HA       THR  13  83.121  -0.264  -6.024
   99    HB   THR  13           HB       THR  13  82.481  -0.672  -8.566
  100    HG1  THR  13           HG1      THR  13  81.243  -2.843  -8.283
  101   1HG2  THR  13          HG21      THR  13  83.657  -2.359  -6.474
  102   2HG2  THR  13          HG23      THR  13  83.067  -3.276  -7.862
  103   3HG2  THR  13          HG22      THR  13  84.256  -1.993  -8.092
  104    H    GLU  14           HN       GLU  14  83.170   1.600  -7.648
  105    HA   GLU  14           HA       GLU  14  81.285   3.638  -6.915
  106   1HB   GLU  14           HB2      GLU  14  83.544   4.159  -7.587
  107   2HB   GLU  14           HB1      GLU  14  83.327   3.339  -9.135
  108   1HG   GLU  14           HG2      GLU  14  81.771   5.002  -9.895
  109   2HG   GLU  14           HG1      GLU  14  81.668   5.725  -8.290
  110    H    GLU  15           HN       GLU  15  81.474   1.411  -9.665
  111    HA   GLU  15           HA       GLU  15  79.445   2.707 -11.266
  112   1HB   GLU  15           HB2      GLU  15  79.481   0.431 -12.397
  113   2HB   GLU  15           HB1      GLU  15  81.059   1.203 -12.244
  114   1HG   GLU  15           HG2      GLU  15  81.835  -0.469 -10.954
  115   2HG   GLU  15           HG1      GLU  15  80.441  -0.359  -9.879
  116    H    GLN  16           HN       GLN  16  79.359   0.444  -8.584
  117    HA   GLN  16           HA       GLN  16  76.636  -0.477  -9.028
  118   1HB   GLN  16           HB2      GLN  16  78.400  -1.693  -7.760
  119   2HB   GLN  16           HB1      GLN  16  78.377  -0.419  -6.540
  120   1HG   GLN  16           HG2      GLN  16  76.574  -1.323  -5.541
  121   2HG   GLN  16           HG1      GLN  16  75.690  -1.360  -7.068
  122   1HE2  GLN  16          HE22      GLN  16  75.841  -4.897  -6.687
  123   2HE2  GLN  16          HE21      GLN  16  74.840  -3.529  -6.597
  124    H    LYS  17           HN       LYS  17  78.031   1.671  -6.510
  125    HA   LYS  17           HA       LYS  17  75.619   2.613  -5.404
  126   1HB   LYS  17           HB2      LYS  17  78.375   3.781  -5.805
  127   2HB   LYS  17           HB1      LYS  17  77.126   4.680  -4.944
  128   1HG   LYS  17           HG2      LYS  17  77.351   3.402  -3.100
  129   2HG   LYS  17           HG1      LYS  17  77.287   1.912  -4.041
  130   1HD   LYS  17           HD2      LYS  17  79.462   1.775  -3.283
  131   2HD   LYS  17           HD1      LYS  17  79.733   2.700  -4.761
  132   1HE   LYS  17           HE2      LYS  17  80.291   4.596  -3.611
  133   2HE   LYS  17           HE1      LYS  17  79.036   4.331  -2.385
  134   1HZ   LYS  17           HZ3      LYS  17  80.411   2.410  -1.604
  135   2HZ   LYS  17           HZ2      LYS  17  81.661   2.966  -2.610
  136   3HZ   LYS  17           HZ1      LYS  17  81.106   3.933  -1.329
  137    H    ASN  18           HN       ASN  18  77.363   3.731  -8.293
  138    HA   ASN  18           HA       ASN  18  75.814   6.084  -8.802
  139   1HB   ASN  18           HB2      ASN  18  77.820   4.400 -10.065
  140   2HB   ASN  18           HB1      ASN  18  76.646   4.976 -11.250
  141   1HD2  ASN  18          HD22      ASN  18  79.436   7.522 -10.535
  142   2HD2  ASN  18          HD21      ASN  18  79.526   5.842 -10.761
  143    H    GLU  19           HN       GLU  19  75.422   2.705  -9.894
  144    HA   GLU  19           HA       GLU  19  73.205   3.107 -11.632
  145   1HB   GLU  19           HB2      GLU  19  74.791   1.052 -10.936
  146   2HB   GLU  19           HB1      GLU  19  73.388   0.652  -9.943
  147   1HG   GLU  19           HG2      GLU  19  73.182   1.293 -12.894
  148   2HG   GLU  19           HG1      GLU  19  73.380  -0.349 -12.282
  149    H    PHE  20           HN       PHE  20  73.314   2.427  -8.125
  150    HA   PHE  20           HA       PHE  20  70.444   2.313  -7.787
  151   1HB   PHE  20           HB2      PHE  20  72.788   2.802  -5.927
  152   2HB   PHE  20           HB1      PHE  20  71.135   2.558  -5.364
  153    HD1  PHE  20           HD2      PHE  20  70.017   0.483  -6.951
  154    HD2  PHE  20           HD1      PHE  20  74.070   0.884  -5.585
  155    HE1  PHE  20           HE2      PHE  20  70.318  -1.972  -7.122
  156    HE2  PHE  20           HE1      PHE  20  74.370  -1.571  -5.757
  157    HZ   PHE  20           HZ       PHE  20  72.495  -2.999  -6.525
  158    H    LYS  21           HN       LYS  21  72.828   4.906  -7.762
  159    HA   LYS  21           HA       LYS  21  71.461   6.961  -6.419
  160   1HB   LYS  21           HB2      LYS  21  73.787   6.905  -7.453
  161   2HB   LYS  21           HB1      LYS  21  73.019   7.234  -9.005
  162   1HG   LYS  21           HG2      LYS  21  71.908   9.108  -7.231
  163   2HG   LYS  21           HG1      LYS  21  73.630   9.072  -6.848
  164   1HD   LYS  21           HD2      LYS  21  72.693   9.213  -9.709
  165   2HD   LYS  21           HD1      LYS  21  72.834  10.675  -8.732
  166   1HE   LYS  21           HE2      LYS  21  75.224   9.258  -8.264
  167   2HE   LYS  21           HE1      LYS  21  74.943   9.154 -10.014
  168   1HZ   LYS  21           HZ1      LYS  21  74.650  11.664  -8.458
  169   2HZ   LYS  21           HZ3      LYS  21  76.078  11.239  -9.269
  170   3HZ   LYS  21           HZ2      LYS  21  74.645  11.489 -10.148
  171    H    ALA  22           HN       ALA  22  71.237   6.106  -9.894
  172    HA   ALA  22           HA       ALA  22  69.272   8.041 -10.611
  173   1HB   ALA  22           HB1      ALA  22  70.442   5.533 -11.644
  174   2HB   ALA  22           HB3      ALA  22  68.833   5.896 -12.266
  175   3HB   ALA  22           HB2      ALA  22  70.144   7.057 -12.480
  176    H    ALA  23           HN       ALA  23  68.854   4.591  -9.720
  177    HA   ALA  23           HA       ALA  23  66.022   4.501  -9.824
  178   1HB   ALA  23           HB2      ALA  23  68.245   2.920  -8.959
  179   2HB   ALA  23           HB1      ALA  23  67.028   2.885  -7.683
  180   3HB   ALA  23           HB3      ALA  23  66.605   2.379  -9.318
  181    H    PHE  24           HN       PHE  24  68.199   5.494  -7.183
  182    HA   PHE  24           HA       PHE  24  66.298   5.745  -5.095
  183   1HB   PHE  24           HB2      PHE  24  68.721   5.893  -4.798
  184   2HB   PHE  24           HB1      PHE  24  68.778   7.355  -5.785
  185    HD1  PHE  24           HD1      PHE  24  67.651   9.450  -4.978
  186    HD2  PHE  24           HD2      PHE  24  68.086   5.974  -2.492
  187    HE1  PHE  24           HE1      PHE  24  67.184  10.828  -2.969
  188    HE2  PHE  24           HE2      PHE  24  67.619   7.352  -0.484
  189    HZ   PHE  24           HZ       PHE  24  67.169   9.779  -0.722
  190    H    ASP  25           HN       ASP  25  67.247   8.078  -7.624
  191    HA   ASP  25           HA       ASP  25  65.563  10.224  -6.663
  192   1HB   ASP  25           HB2      ASP  25  66.701   9.629  -9.415
  193   2HB   ASP  25           HB1      ASP  25  66.146  11.203  -8.845
  194    H    ILE  26           HN       ILE  26  64.871   7.293  -8.307
  195    HA   ILE  26           HA       ILE  26  62.526   8.282  -9.766
  196    HB   ILE  26           HB       ILE  26  63.670   5.545  -9.151
  197   1HG1  ILE  26          HG12      ILE  26  63.837   7.495 -11.450
  198   2HG1  ILE  26          HG11      ILE  26  65.149   6.671 -10.609
  199   1HG2  ILE  26          HG21      ILE  26  61.065   5.972  -9.756
  200   2HG2  ILE  26          HG23      ILE  26  61.747   5.950 -11.382
  201   3HG2  ILE  26          HG22      ILE  26  61.960   4.560 -10.317
  202   1HD1  ILE  26          HD11      ILE  26  64.355   4.508 -11.544
  203   2HD1  ILE  26          HD13      ILE  26  63.109   5.379 -12.438
  204   3HD1  ILE  26          HD12      ILE  26  64.813   5.651 -12.806
  205    H    PHE  27           HN       PHE  27  63.183   6.593  -6.708
  206    HA   PHE  27           HA       PHE  27  60.384   6.003  -6.156
  207   1HB   PHE  27           HB2      PHE  27  62.727   6.172  -4.243
  208   2HB   PHE  27           HB1      PHE  27  61.285   5.167  -4.091
  209    HD1  PHE  27           HD2      PHE  27  60.886   3.888  -6.589
  210    HD2  PHE  27           HD1      PHE  27  64.611   4.868  -4.686
  211    HE1  PHE  27           HE2      PHE  27  62.010   2.078  -7.857
  212    HE2  PHE  27           HE1      PHE  27  65.735   3.057  -5.954
  213    HZ   PHE  27           HZ       PHE  27  64.434   1.661  -7.539
  214    H    VAL  28           HN       VAL  28  62.567   8.689  -5.497
  215    HA   VAL  28           HA       VAL  28  60.810   9.915  -3.497
  216    HB   VAL  28           HB       VAL  28  62.536  11.633  -3.530
  217   1HG1  VAL  28          HG13      VAL  28  62.967   8.952  -2.965
  218   2HG1  VAL  28          HG12      VAL  28  64.345   9.380  -3.978
  219   3HG1  VAL  28          HG11      VAL  28  64.025  10.282  -2.497
  220   1HG2  VAL  28          HG23      VAL  28  62.689  11.622  -6.074
  221   2HG2  VAL  28          HG22      VAL  28  64.228  11.754  -5.225
  222   3HG2  VAL  28          HG21      VAL  28  63.733  10.210  -5.917
  223    H    LEU  29           HN       LEU  29  60.205   9.452  -6.612
  224    HA   LEU  29           HA       LEU  29  59.848  11.905  -7.923
  225   1HB   LEU  29           HB2      LEU  29  58.980   9.188  -8.097
  226   2HB   LEU  29           HB1      LEU  29  57.572  10.221  -8.353
  227    HG   LEU  29           HG       LEU  29  59.242  11.569  -9.900
  228   1HD1  LEU  29          HD12      LEU  29  61.165  10.083  -9.223
  229   2HD1  LEU  29          HD11      LEU  29  60.362   8.757 -10.064
  230   3HD1  LEU  29          HD13      LEU  29  60.905  10.173 -10.965
  231   1HD2  LEU  29          HD22      LEU  29  57.136  10.321 -10.546
  232   2HD2  LEU  29          HD21      LEU  29  58.382  10.339 -11.793
  233   3HD2  LEU  29          HD23      LEU  29  58.139   8.895 -10.811
  234    H    GLY  30           HN       GLY  30  57.856  10.426  -5.385
  235   1HA   GLY  30           HA2      GLY  30  56.142  12.878  -5.405
  236   2HA   GLY  30           HA1      GLY  30  55.606  11.305  -4.812
  237    H    ALA  31           HN       ALA  31  58.830  11.983  -3.976
  238    HA   ALA  31           HA       ALA  31  58.228  12.056  -1.146
  239   1HB   ALA  31           HB3      ALA  31  60.741  12.677  -2.732
  240   2HB   ALA  31           HB2      ALA  31  60.688  12.366  -0.998
  241   3HB   ALA  31           HB1      ALA  31  60.268  11.087  -2.137
  242    H    GLU  32           HN       GLU  32  59.323  13.923   0.197
  243    HA   GLU  32           HA       GLU  32  58.319  16.509  -0.919
  244   1HB   GLU  32           HB2      GLU  32  58.921  15.575   1.907
  245   2HB   GLU  32           HB1      GLU  32  58.209  17.132   1.480
  246   1HG   GLU  32           HG2      GLU  32  56.383  15.793   0.274
  247   2HG   GLU  32           HG1      GLU  32  57.013  14.380   1.122
  248    H    ASP  33           HN       ASP  33  61.095  15.077   0.822
  249    HA   ASP  33           HA       ASP  33  62.674  17.546   0.226
  250   1HB   ASP  33           HB2      ASP  33  64.100  16.762   2.043
  251   2HB   ASP  33           HB1      ASP  33  62.420  16.703   2.578
  252    H    GLY  34           HN       GLY  34  62.363  14.173  -0.573
  253   1HA   GLY  34           HA2      GLY  34  63.463  13.524  -2.734
  254   2HA   GLY  34           HA1      GLY  34  64.900  14.364  -2.150
  255    H    CYS  35           HN       CYS  35  62.672  11.896  -0.808
  256    HA   CYS  35           HA       CYS  35  65.049  10.154  -0.304
  257   1HB   CYS  35           HB2      CYS  35  63.125  11.399   1.614
  258   2HB   CYS  35           HB1      CYS  35  63.663   9.755   1.959
  259    HG   CYS  35           HG       CYS  35  65.284  11.885   2.822
  260    H    ILE  36           HN       ILE  36  64.278   7.883   0.311
  261    HA   ILE  36           HA       ILE  36  61.879   7.197  -1.336
  262    HB   ILE  36           HB       ILE  36  63.801   5.175  -0.236
  263   1HG1  ILE  36          HG12      ILE  36  64.435   7.082  -2.516
  264   2HG1  ILE  36          HG11      ILE  36  65.301   6.971  -0.982
  265   1HG2  ILE  36          HG23      ILE  36  61.798   5.388  -2.306
  266   2HG2  ILE  36          HG22      ILE  36  63.342   4.904  -3.009
  267   3HG2  ILE  36          HG21      ILE  36  62.626   3.949  -1.710
  268   1HD1  ILE  36          HD11      ILE  36  65.017   4.428  -2.482
  269   2HD1  ILE  36          HD13      ILE  36  66.070   5.637  -3.217
  270   3HD1  ILE  36          HD12      ILE  36  66.397   5.057  -1.583
  271    H    SER  37           HN       SER  37  60.229   7.570   0.250
  272    HA   SER  37           HA       SER  37  60.352   6.597   2.960
  273   1HB   SER  37           HB2      SER  37  58.877   8.403   2.118
  274   2HB   SER  37           HB1      SER  37  58.004   7.227   1.141
  275    HG   SER  37           HG       SER  37  57.690   6.105   3.241
  276    H    THR  38           HN       THR  38  59.289   4.727   3.852
  277    HA   THR  38           HA       THR  38  59.540   2.291   2.428
  278    HB   THR  38           HB       THR  38  59.457   2.570   4.886
  279    HG1  THR  38           HG1      THR  38  58.542   0.641   3.565
  280   1HG2  THR  38          HG23      THR  38  56.549   3.203   4.343
  281   2HG2  THR  38          HG22      THR  38  57.220   2.894   5.944
  282   3HG2  THR  38          HG21      THR  38  57.756   4.297   5.019
  283    H    LYS  39           HN       LYS  39  56.777   4.485   2.765
  284    HA   LYS  39           HA       LYS  39  54.672   2.877   1.822
  285   1HB   LYS  39           HB2      LYS  39  54.777   5.329   2.653
  286   2HB   LYS  39           HB1      LYS  39  55.128   5.741   0.974
  287   1HG   LYS  39           HG2      LYS  39  52.808   5.904   0.985
  288   2HG   LYS  39           HG1      LYS  39  53.022   4.226   0.483
  289   1HD   LYS  39           HD2      LYS  39  52.333   3.380   2.516
  290   2HD   LYS  39           HD1      LYS  39  52.902   4.789   3.412
  291   1HE   LYS  39           HE2      LYS  39  50.354   4.555   3.220
  292   2HE   LYS  39           HE1      LYS  39  51.016   6.112   2.683
  293   1HZ   LYS  39           HZ1      LYS  39  50.875   3.901   0.760
  294   2HZ   LYS  39           HZ3      LYS  39  49.446   4.740   1.122
  295   3HZ   LYS  39           HZ2      LYS  39  50.782   5.575   0.487
  296    H    GLU  40           HN       GLU  40  57.157   4.629  -0.030
  297    HA   GLU  40           HA       GLU  40  56.107   3.416  -2.552
  298   1HB   GLU  40           HB2      GLU  40  57.319   5.928  -1.718
  299   2HB   GLU  40           HB1      GLU  40  58.187   5.228  -3.085
  300   1HG   GLU  40           HG2      GLU  40  56.312   5.287  -4.479
  301   2HG   GLU  40           HG1      GLU  40  55.183   5.317  -3.125
  302    H    LEU  41           HN       LEU  41  57.528   1.710  -0.739
  303    HA   LEU  41           HA       LEU  41  60.142   1.351  -2.168
  304   1HB   LEU  41           HB2      LEU  41  59.482   1.669   0.565
  305   2HB   LEU  41           HB1      LEU  41  59.924  -0.027   0.366
  306    HG   LEU  41           HG       LEU  41  61.589   2.296  -0.646
  307   1HD1  LEU  41          HD12      LEU  41  61.279   1.252   2.009
  308   2HD1  LEU  41          HD11      LEU  41  62.883   0.818   1.417
  309   3HD1  LEU  41          HD13      LEU  41  62.383   2.508   1.448
  310   1HD2  LEU  41          HD22      LEU  41  61.950  -0.704  -0.532
  311   2HD2  LEU  41          HD21      LEU  41  62.075   0.358  -1.935
  312   3HD2  LEU  41          HD23      LEU  41  63.324   0.390  -0.691
  313    H    GLY  42           HN       GLY  42  57.479  -0.416  -0.547
  314   1HA   GLY  42           HA2      GLY  42  58.100  -3.041  -1.153
  315   2HA   GLY  42           HA1      GLY  42  56.444  -2.434  -1.209
  316    H    LYS  43           HN       LYS  43  56.287  -0.861  -3.356
  317    HA   LYS  43           HA       LYS  43  56.321  -2.664  -5.589
  318   1HB   LYS  43           HB2      LYS  43  55.751   0.196  -5.008
  319   2HB   LYS  43           HB1      LYS  43  56.087  -0.199  -6.694
  320   1HG   LYS  43           HG2      LYS  43  54.307  -1.803  -6.768
  321   2HG   LYS  43           HG1      LYS  43  54.093  -1.738  -5.018
  322   1HD   LYS  43           HD2      LYS  43  53.754   0.722  -6.733
  323   2HD   LYS  43           HD1      LYS  43  52.421  -0.401  -6.461
  324   1HE   LYS  43           HE2      LYS  43  52.101   0.343  -4.333
  325   2HE   LYS  43           HE1      LYS  43  53.842   0.332  -3.987
  326   1HZ   LYS  43           HZ1      LYS  43  52.656   2.316  -5.828
  327   2HZ   LYS  43           HZ3      LYS  43  52.690   2.595  -4.156
  328   3HZ   LYS  43           HZ2      LYS  43  54.144   2.385  -5.011
  329    H    VAL  44           HN       VAL  44  58.731  -0.532  -4.259
  330    HA   VAL  44           HA       VAL  44  60.320  -0.302  -6.707
  331    HB   VAL  44           HB       VAL  44  60.823   0.256  -3.767
  332   1HG1  VAL  44          HG13      VAL  44  62.556   0.527  -6.197
  333   2HG1  VAL  44          HG12      VAL  44  62.663   1.762  -4.942
  334   3HG1  VAL  44          HG11      VAL  44  63.001   0.075  -4.552
  335   1HG2  VAL  44          HG22      VAL  44  59.086   1.637  -4.897
  336   2HG2  VAL  44          HG21      VAL  44  60.497   2.592  -4.441
  337   3HG2  VAL  44          HG23      VAL  44  60.272   2.095  -6.118
  338    H    MET  45           HN       MET  45  60.676  -2.089  -3.618
  339    HA   MET  45           HA       MET  45  63.063  -3.466  -4.132
  340   1HB   MET  45           HB2      MET  45  60.511  -4.079  -2.657
  341   2HB   MET  45           HB1      MET  45  61.799  -5.281  -2.712
  342   1HG   MET  45           HG2      MET  45  62.665  -2.527  -2.054
  343   2HG   MET  45           HG1      MET  45  61.663  -3.316  -0.836
  344   1HE   MET  45           HE2      MET  45  64.605  -2.709  -2.535
  345   2HE   MET  45           HE1      MET  45  65.459  -2.787  -0.996
  346   3HE   MET  45           HE3      MET  45  65.806  -3.970  -2.265
  347    H    ARG  46           HN       ARG  46  59.855  -4.017  -5.470
  348    HA   ARG  46           HA       ARG  46  60.460  -6.645  -6.585
  349   1HB   ARG  46           HB2      ARG  46  58.296  -4.558  -6.887
  350   2HB   ARG  46           HB1      ARG  46  58.293  -6.021  -7.871
  351   1HG   ARG  46           HG2      ARG  46  57.777  -7.377  -6.100
  352   2HG   ARG  46           HG1      ARG  46  58.707  -6.409  -4.955
  353   1HD   ARG  46           HD2      ARG  46  56.919  -5.067  -4.442
  354   2HD   ARG  46           HD1      ARG  46  56.308  -5.082  -6.109
  355    HE   ARG  46           HE       ARG  46  55.489  -6.907  -4.043
  356   1HH1  ARG  46          HH21      ARG  46  55.772  -6.336  -7.399
  357   2HH1  ARG  46          HH22      ARG  46  55.093  -7.860  -7.866
  358   1HH2  ARG  46          HH11      ARG  46  54.866  -9.054  -4.619
  359   2HH2  ARG  46          HH12      ARG  46  54.581  -9.398  -6.291
  360    H    MET  47           HN       MET  47  60.596  -3.293  -7.721
  361    HA   MET  47           HA       MET  47  60.962  -3.834 -10.515
  362   1HB   MET  47           HB2      MET  47  61.521  -1.598  -8.589
  363   2HB   MET  47           HB1      MET  47  62.150  -1.485 -10.233
  364   1HG   MET  47           HG2      MET  47  59.620  -2.260 -10.778
  365   2HG   MET  47           HG1      MET  47  59.339  -1.390  -9.269
  366   1HE   MET  47           HE3      MET  47  61.008   0.630  -8.829
  367   2HE   MET  47           HE2      MET  47  62.292   0.530 -10.031
  368   3HE   MET  47           HE1      MET  47  61.246   1.946  -9.987
  369    H    LEU  48           HN       LEU  48  63.437  -2.813  -8.128
  370    HA   LEU  48           HA       LEU  48  65.744  -3.255  -9.630
  371   1HB   LEU  48           HB2      LEU  48  65.139  -3.749  -6.699
  372   2HB   LEU  48           HB1      LEU  48  66.774  -3.691  -7.359
  373    HG   LEU  48           HG       LEU  48  64.739  -1.452  -7.557
  374   1HD1  LEU  48          HD12      LEU  48  65.981  -2.132  -5.286
  375   2HD1  LEU  48          HD11      LEU  48  67.295  -1.224  -6.031
  376   3HD1  LEU  48          HD13      LEU  48  65.740  -0.445  -5.738
  377   1HD2  LEU  48          HD22      LEU  48  67.195  -2.037  -8.961
  378   2HD2  LEU  48          HD21      LEU  48  66.092  -0.680  -9.187
  379   3HD2  LEU  48          HD23      LEU  48  67.391  -0.572  -7.999
  380    H    GLY  49           HN       GLY  49  64.667  -5.637  -7.195
  381   1HA   GLY  49           HA2      GLY  49  64.377  -7.911  -8.767
  382   2HA   GLY  49           HA1      GLY  49  66.116  -7.785  -8.498
  383    H    GLN  50           HN       GLN  50  63.589  -6.809  -6.221
  384    HA   GLN  50           HA       GLN  50  64.519  -8.993  -4.384
  385   1HB   GLN  50           HB2      GLN  50  63.751  -6.107  -3.834
  386   2HB   GLN  50           HB1      GLN  50  64.135  -7.289  -2.583
  387   1HG   GLN  50           HG2      GLN  50  66.172  -7.216  -4.669
  388   2HG   GLN  50           HG1      GLN  50  65.961  -5.644  -3.898
  389   1HE2  GLN  50          HE22      GLN  50  68.385  -7.568  -1.817
  390   2HE2  GLN  50          HE21      GLN  50  68.361  -6.976  -3.408
  391    H    ASN  51           HN       ASN  51  62.819  -9.422  -2.633
  392    HA   ASN  51           HA       ASN  51  60.027  -8.829  -3.468
  393   1HB   ASN  51           HB2      ASN  51  61.497 -11.350  -3.790
  394   2HB   ASN  51           HB1      ASN  51  59.981 -11.547  -2.912
  395   1HD2  ASN  51          HD22      ASN  51  59.571 -11.527  -6.756
  396   2HD2  ASN  51          HD21      ASN  51  60.792 -12.238  -5.814
  397    HA   PRO  52           HA       PRO  52  60.921  -9.006   1.118
  398   1HB   PRO  52           HB2      PRO  52  60.146  -6.440   1.673
  399   2HB   PRO  52           HB1      PRO  52  61.805  -6.870   1.211
  400   1HG   PRO  52           HG2      PRO  52  59.628  -5.685  -0.437
  401   2HG   PRO  52           HG1      PRO  52  61.366  -5.345  -0.447
  402   1HD   PRO  52           HD2      PRO  52  60.125  -6.910  -2.307
  403   2HD   PRO  52           HD1      PRO  52  61.834  -7.087  -1.852
  404    H    THR  53           HN       THR  53  59.267  -9.102   2.766
  405    HA   THR  53           HA       THR  53  56.545  -9.491   1.715
  406    HB   THR  53           HB       THR  53  56.545  -9.791   4.488
  407    HG1  THR  53           HG1      THR  53  58.610 -11.158   4.480
  408   1HG2  THR  53          HG21      THR  53  57.223 -11.775   2.302
  409   2HG2  THR  53          HG23      THR  53  56.773 -12.218   3.949
  410   3HG2  THR  53          HG22      THR  53  55.612 -11.390   2.910
  411    HA   PRO  54           HA       PRO  54  54.754  -5.761   3.169
  412   1HB   PRO  54           HB2      PRO  54  52.529  -6.563   4.544
  413   2HB   PRO  54           HB1      PRO  54  52.663  -6.665   2.777
  414   1HG   PRO  54           HG2      PRO  54  52.979  -8.799   4.823
  415   2HG   PRO  54           HG1      PRO  54  52.239  -8.875   3.217
  416   1HD   PRO  54           HD2      PRO  54  54.747  -9.807   3.780
  417   2HD   PRO  54           HD1      PRO  54  54.236  -9.246   2.173
  418    H    GLU  55           HN       GLU  55  54.966  -8.221   5.745
  419    HA   GLU  55           HA       GLU  55  54.912  -6.250   7.903
  420   1HB   GLU  55           HB2      GLU  55  54.404  -8.913   7.648
  421   2HB   GLU  55           HB1      GLU  55  56.030  -8.965   8.329
  422   1HG   GLU  55           HG2      GLU  55  54.205  -7.024   9.612
  423   2HG   GLU  55           HG1      GLU  55  53.765  -8.718   9.831
  424    H    GLU  56           HN       GLU  56  57.371  -7.733   5.901
  425    HA   GLU  56           HA       GLU  56  59.577  -7.005   7.719
  426   1HB   GLU  56           HB2      GLU  56  59.213  -8.373   5.066
  427   2HB   GLU  56           HB1      GLU  56  60.823  -7.830   5.543
  428   1HG   GLU  56           HG2      GLU  56  60.551  -9.084   7.695
  429   2HG   GLU  56           HG1      GLU  56  59.020  -9.715   7.089
  430    H    LEU  57           HN       LEU  57  57.930  -5.686   4.920
  431    HA   LEU  57           HA       LEU  57  59.752  -3.992   3.714
  432   1HB   LEU  57           HB2      LEU  57  56.943  -4.236   4.026
  433   2HB   LEU  57           HB1      LEU  57  57.331  -2.541   4.319
  434    HG   LEU  57           HG       LEU  57  58.910  -3.222   2.124
  435   1HD1  LEU  57          HD11      LEU  57  56.229  -4.603   2.051
  436   2HD1  LEU  57          HD13      LEU  57  57.014  -4.064   0.566
  437   3HD1  LEU  57          HD12      LEU  57  57.810  -5.246   1.605
  438   1HD2  LEU  57          HD23      LEU  57  57.549  -1.131   2.642
  439   2HD2  LEU  57          HD22      LEU  57  57.525  -1.645   0.956
  440   3HD2  LEU  57          HD21      LEU  57  56.147  -1.987   2.001
  441    H    GLN  58           HN       GLN  58  57.616  -2.576   6.190
  442    HA   GLN  58           HA       GLN  58  59.255  -0.376   6.828
  443   1HB   GLN  58           HB2      GLN  58  56.919  -0.572   7.469
  444   2HB   GLN  58           HB1      GLN  58  57.275  -1.977   8.476
  445   1HG   GLN  58           HG2      GLN  58  57.068   0.041   9.867
  446   2HG   GLN  58           HG1      GLN  58  58.721  -0.573   9.913
  447   1HE2  GLN  58          HE22      GLN  58  60.081   2.202   8.110
  448   2HE2  GLN  58          HE21      GLN  58  60.347   0.582   8.537
  449    H    GLU  59           HN       GLU  59  59.088  -3.557   8.471
  450    HA   GLU  59           HA       GLU  59  60.883  -3.170  10.568
  451   1HB   GLU  59           HB2      GLU  59  59.568  -5.218  10.050
  452   2HB   GLU  59           HB1      GLU  59  60.665  -5.564   8.712
  453   1HG   GLU  59           HG2      GLU  59  62.432  -6.108  10.116
  454   2HG   GLU  59           HG1      GLU  59  61.827  -5.108  11.436
  455    H    MET  60           HN       MET  60  61.859  -4.536   7.394
  456    HA   MET  60           HA       MET  60  64.626  -4.490   7.693
  457   1HB   MET  60           HB2      MET  60  62.695  -4.127   5.435
  458   2HB   MET  60           HB1      MET  60  64.408  -3.856   5.108
  459   1HG   MET  60           HG2      MET  60  63.391  -6.346   6.492
  460   2HG   MET  60           HG1      MET  60  63.575  -6.241   4.741
  461   1HE   MET  60           HE2      MET  60  64.762  -8.311   5.167
  462   2HE   MET  60           HE1      MET  60  66.499  -8.433   5.433
  463   3HE   MET  60           HE3      MET  60  65.391  -8.390   6.811
  464    H    ILE  61           HN       ILE  61  62.577  -1.783   6.550
  465    HA   ILE  61           HA       ILE  61  64.776   0.081   6.285
  466    HB   ILE  61           HB       ILE  61  61.794   0.520   6.648
  467   1HG1  ILE  61          HG12      ILE  61  63.239   0.466   4.012
  468   2HG1  ILE  61          HG11      ILE  61  62.727  -1.049   4.755
  469   1HG2  ILE  61          HG21      ILE  61  63.970   2.239   5.419
  470   2HG2  ILE  61          HG23      ILE  61  62.247   2.609   5.377
  471   3HG2  ILE  61          HG22      ILE  61  63.103   2.574   6.918
  472   1HD1  ILE  61          HD13      ILE  61  60.410  -0.049   4.968
  473   2HD1  ILE  61          HD12      ILE  61  60.977   1.296   3.978
  474   3HD1  ILE  61          HD11      ILE  61  60.939  -0.336   3.310
  475    H    ASP  62           HN       ASP  62  62.145  -0.166   8.715
  476    HA   ASP  62           HA       ASP  62  63.041   1.857  10.472
  477   1HB   ASP  62           HB2      ASP  62  60.952   0.164  10.329
  478   2HB   ASP  62           HB1      ASP  62  61.883  -0.658  11.582
  479    H    GLU  63           HN       GLU  63  64.260  -1.393   9.970
  480    HA   GLU  63           HA       GLU  63  65.754  -1.541  12.472
  481   1HB   GLU  63           HB2      GLU  63  65.386  -3.089   9.954
  482   2HB   GLU  63           HB1      GLU  63  66.879  -3.383  10.845
  483   1HG   GLU  63           HG2      GLU  63  64.399  -3.283  12.473
  484   2HG   GLU  63           HG1      GLU  63  64.557  -4.669  11.392
  485    H    VAL  64           HN       VAL  64  66.727  -1.120   9.044
  486    HA   VAL  64           HA       VAL  64  69.468  -0.432   9.749
  487    HB   VAL  64           HB       VAL  64  68.504  -1.547   7.633
  488   1HG1  VAL  64          HG12      VAL  64  66.740   0.181   7.272
  489   2HG1  VAL  64          HG11      VAL  64  68.004   1.360   6.922
  490   3HG1  VAL  64          HG13      VAL  64  67.776  -0.030   5.861
  491   1HG2  VAL  64          HG23      VAL  64  70.383   0.822   7.362
  492   2HG2  VAL  64          HG22      VAL  64  70.848  -0.816   7.820
  493   3HG2  VAL  64          HG21      VAL  64  70.232  -0.495   6.199
  494    H    ASP  65           HN       ASP  65  66.489   1.327   9.422
  495    HA   ASP  65           HA       ASP  65  67.681   3.927   8.850
  496   1HB   ASP  65           HB2      ASP  65  65.370   3.251   8.254
  497   2HB   ASP  65           HB1      ASP  65  64.978   3.116   9.969
  498    H    GLU  66           HN       GLU  66  69.314   4.051  10.581
  499    HA   GLU  66           HA       GLU  66  68.251   4.273  13.358
  500   1HB   GLU  66           HB2      GLU  66  71.008   4.081  12.113
  501   2HB   GLU  66           HB1      GLU  66  70.753   4.330  13.841
  502   1HG   GLU  66           HG2      GLU  66  69.190   2.246  13.660
  503   2HG   GLU  66           HG1      GLU  66  70.062   1.933  12.159
  504    H    ASP  67           HN       ASP  67  68.118   6.320  10.979
  505    HA   ASP  67           HA       ASP  67  69.666   8.594  12.042
  506   1HB   ASP  67           HB2      ASP  67  67.720   8.171   9.757
  507   2HB   ASP  67           HB1      ASP  67  68.490   9.723  10.085
  508    H    GLY  68           HN       GLY  68  66.360   7.382  12.111
  509   1HA   GLY  68           HA2      GLY  68  64.783   8.016  13.829
  510   2HA   GLY  68           HA1      GLY  68  65.684   9.514  14.063
  511    H    SER  69           HN       SER  69  65.463   9.117  10.795
  512    HA   SER  69           HA       SER  69  63.350  11.157  10.588
  513   1HB   SER  69           HB2      SER  69  64.047  10.782   8.088
  514   2HB   SER  69           HB1      SER  69  65.203  11.521   9.191
  515    HG   SER  69           HG       SER  69  65.163   8.979   8.047
  516    H    GLY  70           HN       GLY  70  63.786   7.721   9.866
  517   1HA   GLY  70           HA2      GLY  70  62.023   6.124   9.653
  518   2HA   GLY  70           HA1      GLY  70  60.869   7.453   9.518
  519    H    THR  71           HN       THR  71  63.677   7.746   7.568
  520    HA   THR  71           HA       THR  71  62.152   6.755   5.180
  521    HB   THR  71           HB       THR  71  63.531   8.774   4.129
  522    HG1  THR  71           HG1      THR  71  63.827  10.402   5.631
  523   1HG2  THR  71          HG21      THR  71  60.898   8.421   5.180
  524   2HG2  THR  71          HG23      THR  71  61.416  10.066   5.547
  525   3HG2  THR  71          HG22      THR  71  61.419   9.492   3.879
  526    H    VAL  72           HN       VAL  72  63.593   6.143   3.356
  527    HA   VAL  72           HA       VAL  72  66.177   5.033   4.359
  528    HB   VAL  72           HB       VAL  72  64.815   4.404   1.740
  529   1HG1  VAL  72          HG13      VAL  72  67.161   3.556   2.813
  530   2HG1  VAL  72          HG12      VAL  72  66.062   2.343   3.471
  531   3HG1  VAL  72          HG11      VAL  72  66.181   2.572   1.725
  532   1HG2  VAL  72          HG22      VAL  72  63.808   3.916   4.458
  533   2HG2  VAL  72          HG21      VAL  72  62.977   3.761   2.910
  534   3HG2  VAL  72          HG23      VAL  72  63.980   2.439   3.507
  535    H    ASP  73           HN       ASP  73  67.810   6.512   3.976
  536    HA   ASP  73           HA       ASP  73  67.771   8.173   1.523
  537   1HB   ASP  73           HB2      ASP  73  68.423   8.736   4.040
  538   2HB   ASP  73           HB1      ASP  73  69.995   8.118   3.533
  539    H    PHE  74           HN       PHE  74  69.984   8.315   0.347
  540    HA   PHE  74           HA       PHE  74  70.662   5.993  -0.992
  541   1HB   PHE  74           HB2      PHE  74  71.437   8.431  -1.281
  542   2HB   PHE  74           HB1      PHE  74  72.711   8.042  -0.125
  543    HD1  PHE  74           HD1      PHE  74  71.180   6.838  -3.325
  544    HD2  PHE  74           HD2      PHE  74  74.690   7.019  -0.858
  545    HE1  PHE  74           HE1      PHE  74  72.507   5.784  -5.135
  546    HE2  PHE  74           HE2      PHE  74  76.018   5.967  -2.668
  547    HZ   PHE  74           HZ       PHE  74  74.926   5.349  -4.807
  548    H    ASP  75           HN       ASP  75  72.259   7.191   1.988
  549    HA   ASP  75           HA       ASP  75  74.127   5.083   2.315
  550   1HB   ASP  75           HB2      ASP  75  74.303   7.040   3.654
  551   2HB   ASP  75           HB1      ASP  75  72.626   6.921   4.188
  552    H    GLU  76           HN       GLU  76  71.285   5.372   4.441
  553    HA   GLU  76           HA       GLU  76  71.148   2.711   5.286
  554   1HB   GLU  76           HB2      GLU  76  69.035   4.816   4.767
  555   2HB   GLU  76           HB1      GLU  76  68.671   3.294   5.583
  556   1HG   GLU  76           HG2      GLU  76  70.098   3.797   7.404
  557   2HG   GLU  76           HG1      GLU  76  70.921   5.077   6.514
  558    H    PHE  77           HN       PHE  77  69.577   4.169   2.427
  559    HA   PHE  77           HA       PHE  77  68.022   2.106   1.450
  560   1HB   PHE  77           HB2      PHE  77  68.297   4.276   0.368
  561   2HB   PHE  77           HB1      PHE  77  69.976   3.901  -0.024
  562    HD1  PHE  77           HD2      PHE  77  67.123   1.530  -0.177
  563    HD2  PHE  77           HD1      PHE  77  69.867   3.959  -2.417
  564    HE1  PHE  77           HE2      PHE  77  66.389   0.426  -2.273
  565    HE2  PHE  77           HE1      PHE  77  69.134   2.855  -4.513
  566    HZ   PHE  77           HZ       PHE  77  67.395   1.089  -4.440
  567    H    LEU  78           HN       LEU  78  71.522   2.467   0.709
  568    HA   LEU  78           HA       LEU  78  71.765  -0.088  -0.586
  569   1HB   LEU  78           HB2      LEU  78  73.553   2.024   0.556
  570   2HB   LEU  78           HB1      LEU  78  74.271   0.462   0.156
  571    HG   LEU  78           HG       LEU  78  72.558   2.041  -1.778
  572   1HD1  LEU  78          HD12      LEU  78  75.226   2.580  -0.892
  573   2HD1  LEU  78          HD11      LEU  78  75.306   1.977  -2.548
  574   3HD1  LEU  78          HD13      LEU  78  74.316   3.388  -2.170
  575   1HD2  LEU  78          HD21      LEU  78  73.822  -0.587  -1.750
  576   2HD2  LEU  78          HD23      LEU  78  72.654   0.077  -2.893
  577   3HD2  LEU  78          HD22      LEU  78  74.376   0.386  -3.112
  578    H    VAL  79           HN       VAL  79  72.324   0.977   2.768
  579    HA   VAL  79           HA       VAL  79  73.517  -1.351   3.828
  580    HB   VAL  79           HB       VAL  79  71.440   0.456   5.108
  581   1HG1  VAL  79          HG12      VAL  79  73.737  -1.174   6.235
  582   2HG1  VAL  79          HG11      VAL  79  72.762  -0.038   7.167
  583   3HG1  VAL  79          HG13      VAL  79  72.018  -1.482   6.480
  584   1HG2  VAL  79          HG23      VAL  79  73.904   1.147   3.910
  585   2HG2  VAL  79          HG22      VAL  79  72.923   2.150   4.977
  586   3HG2  VAL  79          HG21      VAL  79  74.199   1.137   5.649
  587    H    MET  80           HN       MET  80  70.103  -0.674   3.117
  588    HA   MET  80           HA       MET  80  69.041  -3.025   4.429
  589   1HB   MET  80           HB2      MET  80  68.143  -0.725   3.022
  590   2HB   MET  80           HB1      MET  80  67.477  -2.124   2.178
  591   1HG   MET  80           HG2      MET  80  66.443  -2.950   4.175
  592   2HG   MET  80           HG1      MET  80  67.322  -1.798   5.182
  593   1HE   MET  80           HE1      MET  80  64.488  -2.681   3.042
  594   2HE   MET  80           HE3      MET  80  63.621  -1.199   2.615
  595   3HE   MET  80           HE2      MET  80  65.131  -1.606   1.803
  596    H    MET  81           HN       MET  81  70.239  -2.336   1.163
  597    HA   MET  81           HA       MET  81  69.397  -4.854  -0.001
  598   1HB   MET  81           HB2      MET  81  70.796  -2.415  -0.709
  599   2HB   MET  81           HB1      MET  81  71.652  -3.816  -1.355
  600   1HG   MET  81           HG2      MET  81  69.922  -4.405  -2.750
  601   2HG   MET  81           HG1      MET  81  68.688  -3.802  -1.644
  602   1HE   MET  81           HE3      MET  81  67.424  -3.132  -3.249
  603   2HE   MET  81           HE2      MET  81  67.352  -1.450  -3.766
  604   3HE   MET  81           HE1      MET  81  68.077  -2.658  -4.824
  605    H    VAL  82           HN       VAL  82  72.595  -3.641   1.081
  606    HA   VAL  82           HA       VAL  82  74.111  -5.977   0.727
  607    HB   VAL  82           HB       VAL  82  75.041  -3.817   1.366
  608   1HG1  VAL  82          HG11      VAL  82  73.549  -4.239   3.974
  609   2HG1  VAL  82          HG13      VAL  82  74.679  -2.924   3.653
  610   3HG1  VAL  82          HG12      VAL  82  73.170  -3.031   2.747
  611   1HG2  VAL  82          HG23      VAL  82  75.596  -6.276   2.800
  612   2HG2  VAL  82          HG22      VAL  82  76.723  -5.041   2.237
  613   3HG2  VAL  82          HG21      VAL  82  75.948  -4.876   3.813
  614    H    ARG  83           HN       ARG  83  71.790  -5.168   3.261
  615    HA   ARG  83           HA       ARG  83  72.409  -7.144   5.196
  616   1HB   ARG  83           HB2      ARG  83  70.033  -5.582   4.293
  617   2HB   ARG  83           HB1      ARG  83  69.726  -6.951   5.360
  618   1HG   ARG  83           HG2      ARG  83  71.409  -6.044   6.958
  619   2HG   ARG  83           HG1      ARG  83  71.609  -4.639   5.909
  620   1HD   ARG  83           HD2      ARG  83  69.952  -3.743   7.224
  621   2HD   ARG  83           HD1      ARG  83  68.877  -4.709   6.195
  622    HE   ARG  83           HE       ARG  83  68.990  -6.506   7.896
  623   1HH1  ARG  83          HH21      ARG  83  71.021  -6.501   9.650
  624   2HH1  ARG  83          HH22      ARG  83  70.627  -5.418  10.943
  625   1HH2  ARG  83          HH11      ARG  83  68.147  -3.771   9.162
  626   2HH2  ARG  83          HH12      ARG  83  69.000  -3.871  10.666
  627    H    CYS  84           HN       CYS  84  69.699  -7.400   2.877
  628    HA   CYS  84           HA       CYS  84  69.467 -10.254   3.124
  629   1HB   CYS  84           HB2      CYS  84  68.277  -8.020   1.693
  630   2HB   CYS  84           HB1      CYS  84  68.404  -9.438   0.652
  631    HG   CYS  84           HG       CYS  84  66.491 -10.387   1.892
  632    H    MET  85           HN       MET  85  71.393  -8.176   1.040
  633    HA   MET  85           HA       MET  85  72.022 -10.034  -1.034
  634   1HB   MET  85           HB2      MET  85  73.164  -7.548   0.163
  635   2HB   MET  85           HB1      MET  85  74.202  -8.474  -0.921
  636   1HG   MET  85           HG2      MET  85  71.857  -8.474  -2.322
  637   2HG   MET  85           HG1      MET  85  71.775  -6.903  -1.527
  638   1HE   MET  85           HE1      MET  85  73.967  -5.375  -1.340
  639   2HE   MET  85           HE3      MET  85  74.415  -4.766  -2.938
  640   3HE   MET  85           HE2      MET  85  72.717  -4.883  -2.480
  641    H    LYS  86           HN       LYS  86  74.659 -10.509  -1.164
  642    HA   LYS  86           HA       LYS  86  75.162 -12.764   0.443
  643   1HB   LYS  86           HB2      LYS  86  77.449 -12.524  -0.400
  644   2HB   LYS  86           HB1      LYS  86  76.309 -12.079  -1.670
  645   1HG   LYS  86           HG2      LYS  86  76.599  -9.693  -1.092
  646   2HG   LYS  86           HG1      LYS  86  77.756 -10.142   0.162
  647   1HD   LYS  86           HD2      LYS  86  79.420 -10.316  -1.344
  648   2HD   LYS  86           HD1      LYS  86  78.454 -11.386  -2.361
  649   1HE   LYS  86           HE2      LYS  86  78.830  -9.488  -3.741
  650   2HE   LYS  86           HE1      LYS  86  77.212  -9.193  -3.072
  651   1HZ   LYS  86           HZ3      LYS  86  79.759  -8.222  -1.883
  652   2HZ   LYS  86           HZ2      LYS  86  78.680  -7.266  -2.783
  653   3HZ   LYS  86           HZ1      LYS  86  78.200  -7.917  -1.289
  654    H    ASP  87           HN       ASP  87  76.419 -13.070   2.351
  655    HA   ASP  87           HA       ASP  87  77.044 -10.579   3.904
  656   1HB   ASP  87           HB2      ASP  87  75.120 -12.628   4.366
  657   2HB   ASP  87           HB1      ASP  87  76.379 -12.813   5.587
  658    H    ASP  88           HN       ASP  88  78.569 -12.841   2.281
  659    HA   ASP  88           HA       ASP  88  80.179 -14.417   3.930
  660   1HB   ASP  88           HB2      ASP  88  80.330 -13.123   1.289
  661   2HB   ASP  88           HB1      ASP  88  81.908 -13.483   1.992
  662    H    SER  89           HN       SER  89  80.659 -10.977   3.079
  663    HA   SER  89           HA       SER  89  82.687 -10.813   5.287
  664   1HB   SER  89           HB2      SER  89  82.386  -9.107   2.797
  665   2HB   SER  89           HB1      SER  89  83.721  -9.058   3.942
  666    HG   SER  89           HG       SER  89  83.720 -11.490   3.336
   
  No H/Q in entry =         666
  Start of MODEL   38
    1   1H    MET   1           HT3      MET   1  83.604   2.198  19.563
    2   2H    MET   1           HT2      MET   1  85.183   2.747  19.263
    3   3H    MET   1           HT1      MET   1  83.976   3.843  19.744
    4    HA   MET   1           HA       MET   1  82.998   3.916  17.686
    5   1HB   MET   1           HB2      MET   1  85.866   3.091  17.131
    6   2HB   MET   1           HB1      MET   1  84.864   4.137  16.126
    7   1HG   MET   1           HG2      MET   1  85.424   4.821  19.009
    8   2HG   MET   1           HG1      MET   1  86.548   5.275  17.728
    9   1HE   MET   1           HE1      MET   1  86.147   6.805  15.862
   10   2HE   MET   1           HE3      MET   1  84.795   5.842  15.250
   11   3HE   MET   1           HE2      MET   1  84.628   7.586  15.432
   12    H    ASP   2           HN       ASP   2  81.532   2.125  17.460
   13    HA   ASP   2           HA       ASP   2  82.474  -0.526  16.681
   14   1HB   ASP   2           HB2      ASP   2  80.312   0.337  17.934
   15   2HB   ASP   2           HB1      ASP   2  79.674   0.495  16.298
   16    H    ASP   3           HN       ASP   3  81.690  -1.517  14.574
   17    HA   ASP   3           HA       ASP   3  80.917   0.120  12.334
   18   1HB   ASP   3           HB2      ASP   3  83.185   0.077  11.217
   19   2HB   ASP   3           HB1      ASP   3  83.117   1.094  12.658
   20    H    ILE   4           HN       ILE   4  79.809  -1.447  11.226
   21    HA   ILE   4           HA       ILE   4  81.230  -3.957  10.502
   22    HB   ILE   4           HB       ILE   4  78.452  -3.978  11.700
   23   1HG1  ILE   4          HG12      ILE   4  81.126  -4.308  13.098
   24   2HG1  ILE   4          HG11      ILE   4  79.926  -3.053  13.407
   25   1HG2  ILE   4          HG21      ILE   4  80.598  -6.072  11.251
   26   2HG2  ILE   4          HG23      ILE   4  79.101  -6.366  12.134
   27   3HG2  ILE   4          HG22      ILE   4  79.047  -5.953  10.420
   28   1HD1  ILE   4          HD12      ILE   4  78.305  -4.774  14.117
   29   2HD1  ILE   4          HD11      ILE   4  79.506  -6.029  13.814
   30   3HD1  ILE   4          HD13      ILE   4  79.771  -4.845  15.094
   31    H    TYR   5           HN       TYR   5  78.036  -2.330  10.308
   32    HA   TYR   5           HA       TYR   5  77.390  -3.454   7.722
   33   1HB   TYR   5           HB2      TYR   5  76.354  -1.274   9.521
   34   2HB   TYR   5           HB1      TYR   5  75.682  -1.468   7.901
   35    HD1  TYR   5           HD2      TYR   5  74.589  -3.608   7.242
   36    HD2  TYR   5           HD1      TYR   5  75.903  -2.869  11.263
   37    HE1  TYR   5           HE2      TYR   5  73.193  -5.494   8.043
   38    HE2  TYR   5           HE1      TYR   5  74.506  -4.756  12.065
   39    HH   TYR   5           HH       TYR   5  72.111  -6.207  10.159
   40    H    LYS   6           HN       LYS   6  79.175  -0.623   8.772
   41    HA   LYS   6           HA       LYS   6  78.979   0.835   6.266
   42   1HB   LYS   6           HB2      LYS   6  80.499   2.320   7.336
   43   2HB   LYS   6           HB1      LYS   6  79.540   1.646   8.651
   44   1HG   LYS   6           HG2      LYS   6  81.289   0.075   9.215
   45   2HG   LYS   6           HG1      LYS   6  82.218   0.525   7.785
   46   1HD   LYS   6           HD2      LYS   6  81.495   2.781   9.548
   47   2HD   LYS   6           HD1      LYS   6  82.610   1.614  10.258
   48   1HE   LYS   6           HE2      LYS   6  84.064   1.819   8.229
   49   2HE   LYS   6           HE1      LYS   6  82.980   3.088   7.627
   50   1HZ   LYS   6           HZ3      LYS   6  83.323   3.939  10.095
   51   2HZ   LYS   6           HZ2      LYS   6  84.808   3.136   9.905
   52   3HZ   LYS   6           HZ1      LYS   6  84.371   4.387   8.840
   53    H    ALA   7           HN       ALA   7  81.274  -1.506   7.634
   54    HA   ALA   7           HA       ALA   7  83.341  -1.253   5.679
   55   1HB   ALA   7           HB2      ALA   7  82.821  -2.699   7.972
   56   2HB   ALA   7           HB1      ALA   7  82.790  -3.950   6.729
   57   3HB   ALA   7           HB3      ALA   7  84.223  -2.941   6.930
   58    H    ALA   8           HN       ALA   8  80.275  -3.011   5.665
   59    HA   ALA   8           HA       ALA   8  80.838  -4.602   3.303
   60   1HB   ALA   8           HB1      ALA   8  78.951  -4.498   5.322
   61   2HB   ALA   8           HB3      ALA   8  78.039  -3.930   3.923
   62   3HB   ALA   8           HB2      ALA   8  78.829  -5.507   3.881
   63    H    VAL   9           HN       VAL   9  78.755  -1.734   3.838
   64    HA   VAL   9           HA       VAL   9  77.973  -1.234   1.193
   65    HB   VAL   9           HB       VAL   9  78.725   0.686   3.419
   66   1HG1  VAL   9          HG11      VAL   9  78.165   1.331   0.802
   67   2HG1  VAL   9          HG13      VAL   9  76.569   1.407   1.551
   68   3HG1  VAL   9          HG12      VAL   9  77.888   2.394   2.182
   69   1HG2  VAL   9          HG23      VAL   9  76.132  -0.698   2.669
   70   2HG2  VAL   9          HG22      VAL   9  77.068  -0.936   4.145
   71   3HG2  VAL   9          HG21      VAL   9  76.250   0.600   3.857
   72    H    GLU  10           HN       GLU  10  81.104  -0.730   2.693
   73    HA   GLU  10           HA       GLU  10  82.102   1.022   0.558
   74   1HB   GLU  10           HB2      GLU  10  82.896  -0.003   3.185
   75   2HB   GLU  10           HB1      GLU  10  84.244   0.060   2.048
   76   1HG   GLU  10           HG2      GLU  10  82.359   2.364   2.626
   77   2HG   GLU  10           HG1      GLU  10  83.978   2.191   3.306
   78    H    GLN  11           HN       GLN  11  81.680  -2.346   0.934
   79    HA   GLN  11           HA       GLN  11  84.036  -3.210  -0.564
   80   1HB   GLN  11           HB2      GLN  11  81.876  -4.309   0.976
   81   2HB   GLN  11           HB1      GLN  11  81.935  -5.139  -0.581
   82   1HG   GLN  11           HG2      GLN  11  83.708  -6.320   0.138
   83   2HG   GLN  11           HG1      GLN  11  84.620  -4.818   0.295
   84   1HE2  GLN  11          HE21      GLN  11  85.596  -4.953   2.334
   85   2HE2  GLN  11          HE22      GLN  11  84.768  -5.309   3.773
   86    H    LEU  12           HN       LEU  12  80.884  -2.010  -1.383
   87    HA   LEU  12           HA       LEU  12  80.515  -3.298  -3.924
   88   1HB   LEU  12           HB2      LEU  12  79.638  -0.571  -2.913
   89   2HB   LEU  12           HB1      LEU  12  78.905  -1.458  -4.250
   90    HG   LEU  12           HG       LEU  12  79.133  -2.686  -1.506
   91   1HD1  LEU  12          HD12      LEU  12  77.361  -0.514  -2.419
   92   2HD1  LEU  12          HD11      LEU  12  76.514  -1.889  -1.714
   93   3HD1  LEU  12          HD13      LEU  12  77.744  -1.039  -0.780
   94   1HD2  LEU  12          HD21      LEU  12  78.476  -3.805  -3.862
   95   2HD2  LEU  12          HD23      LEU  12  77.721  -4.301  -2.348
   96   3HD2  LEU  12          HD22      LEU  12  76.893  -3.168  -3.415
   97    H    THR  13           HN       THR  13  80.337  -1.503  -5.897
   98    HA   THR  13           HA       THR  13  83.075  -0.287  -6.104
   99    HB   THR  13           HB       THR  13  82.860  -0.880  -8.527
  100    HG1  THR  13           HG1      THR  13  80.422  -0.951  -8.162
  101   1HG2  THR  13          HG23      THR  13  82.838  -2.848  -6.305
  102   2HG2  THR  13          HG22      THR  13  82.608  -3.501  -7.927
  103   3HG2  THR  13          HG21      THR  13  84.055  -2.568  -7.549
  104    H    GLU  14           HN       GLU  14  83.122   1.540  -7.753
  105    HA   GLU  14           HA       GLU  14  81.144   3.534  -7.140
  106   1HB   GLU  14           HB2      GLU  14  83.640   3.643  -7.931
  107   2HB   GLU  14           HB1      GLU  14  82.947   3.574  -9.552
  108   1HG   GLU  14           HG2      GLU  14  82.404   5.753  -9.444
  109   2HG   GLU  14           HG1      GLU  14  81.461   5.468  -7.982
  110    H    GLU  15           HN       GLU  15  81.597   1.345  -9.903
  111    HA   GLU  15           HA       GLU  15  79.693   2.476 -11.687
  112   1HB   GLU  15           HB2      GLU  15  79.755   0.226 -12.692
  113   2HB   GLU  15           HB1      GLU  15  81.376   0.717 -12.196
  114   1HG   GLU  15           HG2      GLU  15  81.161  -0.577 -10.124
  115   2HG   GLU  15           HG1      GLU  15  79.514  -1.034 -10.563
  116    H    GLN  16           HN       GLN  16  79.277   0.484  -8.821
  117    HA   GLN  16           HA       GLN  16  76.547  -0.328  -9.362
  118   1HB   GLN  16           HB2      GLN  16  78.169  -1.448  -7.827
  119   2HB   GLN  16           HB1      GLN  16  78.076  -0.051  -6.754
  120   1HG   GLN  16           HG2      GLN  16  75.409  -0.891  -7.375
  121   2HG   GLN  16           HG1      GLN  16  76.330  -2.300  -6.848
  122   1HE2  GLN  16          HE22      GLN  16  75.380   0.605  -4.167
  123   2HE2  GLN  16          HE21      GLN  16  74.954   0.753  -5.803
  124    H    LYS  17           HN       LYS  17  77.627   1.766  -6.674
  125    HA   LYS  17           HA       LYS  17  75.225   3.016  -6.075
  126   1HB   LYS  17           HB2      LYS  17  78.115   3.817  -6.023
  127   2HB   LYS  17           HB1      LYS  17  76.899   5.020  -5.593
  128   1HG   LYS  17           HG2      LYS  17  76.222   3.868  -3.704
  129   2HG   LYS  17           HG1      LYS  17  76.690   2.300  -4.364
  130   1HD   LYS  17           HD2      LYS  17  78.457   2.540  -2.934
  131   2HD   LYS  17           HD1      LYS  17  79.117   3.505  -4.255
  132   1HE   LYS  17           HE2      LYS  17  77.696   5.436  -3.051
  133   2HE   LYS  17           HE1      LYS  17  77.993   4.405  -1.637
  134   1HZ   LYS  17           HZ2      LYS  17  80.366   4.270  -2.563
  135   2HZ   LYS  17           HZ1      LYS  17  79.956   5.661  -3.450
  136   3HZ   LYS  17           HZ3      LYS  17  79.906   5.693  -1.755
  137    H    ASN  18           HN       ASN  18  77.350   3.675  -8.819
  138    HA   ASN  18           HA       ASN  18  76.267   6.188  -9.637
  139   1HB   ASN  18           HB2      ASN  18  78.049   4.120 -10.569
  140   2HB   ASN  18           HB1      ASN  18  77.015   4.640 -11.900
  141   1HD2  ASN  18          HD21      ASN  18  79.136   5.597 -12.755
  142   2HD2  ASN  18          HD22      ASN  18  79.594   7.134 -12.201
  143    H    GLU  19           HN       GLU  19  75.416   2.855 -10.637
  144    HA   GLU  19           HA       GLU  19  73.206   3.692 -12.317
  145   1HB   GLU  19           HB2      GLU  19  74.713   1.399 -11.798
  146   2HB   GLU  19           HB1      GLU  19  73.097   0.982 -11.224
  147   1HG   GLU  19           HG2      GLU  19  72.156   1.141 -13.322
  148   2HG   GLU  19           HG1      GLU  19  73.303   2.370 -13.858
  149    H    PHE  20           HN       PHE  20  73.466   2.406  -8.998
  150    HA   PHE  20           HA       PHE  20  70.693   2.198  -8.404
  151   1HB   PHE  20           HB2      PHE  20  73.277   2.506  -6.942
  152   2HB   PHE  20           HB1      PHE  20  71.801   2.795  -6.021
  153    HD1  PHE  20           HD1      PHE  20  73.277   0.328  -8.432
  154    HD2  PHE  20           HD2      PHE  20  70.670   0.983  -5.082
  155    HE1  PHE  20           HE1      PHE  20  72.916  -2.118  -8.235
  156    HE2  PHE  20           HE2      PHE  20  70.308  -1.462  -4.885
  157    HZ   PHE  20           HZ       PHE  20  71.432  -3.013  -6.461
  158    H    LYS  21           HN       LYS  21  72.921   4.967  -8.198
  159    HA   LYS  21           HA       LYS  21  71.386   6.834  -6.791
  160   1HB   LYS  21           HB2      LYS  21  73.649   7.254  -7.544
  161   2HB   LYS  21           HB1      LYS  21  73.161   7.118  -9.234
  162   1HG   LYS  21           HG2      LYS  21  71.878   9.134  -9.124
  163   2HG   LYS  21           HG1      LYS  21  72.001   9.194  -7.365
  164   1HD   LYS  21           HD2      LYS  21  74.534   9.356  -7.693
  165   2HD   LYS  21           HD1      LYS  21  74.190   9.660  -9.397
  166   1HE   LYS  21           HE2      LYS  21  72.885  11.639  -8.843
  167   2HE   LYS  21           HE1      LYS  21  73.040  11.297  -7.108
  168   1HZ   LYS  21           HZ3      LYS  21  75.490  11.374  -8.701
  169   2HZ   LYS  21           HZ2      LYS  21  74.742  12.862  -8.358
  170   3HZ   LYS  21           HZ1      LYS  21  75.234  11.842  -7.091
  171    H    ALA  22           HN       ALA  22  71.212   6.087 -10.288
  172    HA   ALA  22           HA       ALA  22  69.229   7.978 -11.015
  173   1HB   ALA  22           HB3      ALA  22  70.702   5.971 -12.197
  174   2HB   ALA  22           HB2      ALA  22  69.063   5.328 -12.294
  175   3HB   ALA  22           HB1      ALA  22  69.439   6.897 -13.009
  176    H    ALA  23           HN       ALA  23  68.806   4.572  -9.968
  177    HA   ALA  23           HA       ALA  23  65.954   4.535 -10.070
  178   1HB   ALA  23           HB2      ALA  23  68.171   2.919  -9.180
  179   2HB   ALA  23           HB1      ALA  23  66.887   2.866  -7.972
  180   3HB   ALA  23           HB3      ALA  23  66.550   2.399  -9.639
  181    H    PHE  24           HN       PHE  24  68.171   5.208  -7.344
  182    HA   PHE  24           HA       PHE  24  66.415   5.579  -5.235
  183   1HB   PHE  24           HB2      PHE  24  68.664   5.879  -4.735
  184   2HB   PHE  24           HB1      PHE  24  68.960   6.848  -6.175
  185    HD1  PHE  24           HD1      PHE  24  66.235   7.374  -3.690
  186    HD2  PHE  24           HD2      PHE  24  70.006   8.759  -5.210
  187    HE1  PHE  24           HE1      PHE  24  66.018   9.445  -2.343
  188    HE2  PHE  24           HE2      PHE  24  69.787  10.831  -3.865
  189    HZ   PHE  24           HZ       PHE  24  67.792  11.174  -2.432
  190    H    ASP  25           HN       ASP  25  67.115   7.920  -7.843
  191    HA   ASP  25           HA       ASP  25  65.433  10.022  -6.813
  192   1HB   ASP  25           HB2      ASP  25  66.591   9.296  -9.513
  193   2HB   ASP  25           HB1      ASP  25  65.651  10.768  -9.264
  194    H    ILE  26           HN       ILE  26  64.700   7.029  -8.336
  195    HA   ILE  26           HA       ILE  26  62.161   7.932  -9.522
  196    HB   ILE  26           HB       ILE  26  63.396   5.193  -9.128
  197   1HG1  ILE  26          HG12      ILE  26  63.657   7.328 -11.242
  198   2HG1  ILE  26          HG11      ILE  26  64.926   6.379 -10.471
  199   1HG2  ILE  26          HG23      ILE  26  60.807   5.796  -9.790
  200   2HG2  ILE  26          HG22      ILE  26  61.567   5.738 -11.380
  201   3HG2  ILE  26          HG21      ILE  26  61.651   4.337 -10.312
  202   1HD1  ILE  26          HD12      ILE  26  62.848   5.287 -12.386
  203   2HD1  ILE  26          HD11      ILE  26  64.526   5.636 -12.798
  204   3HD1  ILE  26          HD13      ILE  26  64.149   4.361 -11.639
  205    H    PHE  27           HN       PHE  27  63.278   6.399  -6.550
  206    HA   PHE  27           HA       PHE  27  60.573   5.543  -5.764
  207   1HB   PHE  27           HB2      PHE  27  63.100   5.683  -4.106
  208   2HB   PHE  27           HB1      PHE  27  61.730   4.591  -3.898
  209    HD1  PHE  27           HD1      PHE  27  61.240   3.791  -6.732
  210    HD2  PHE  27           HD2      PHE  27  64.906   4.207  -4.532
  211    HE1  PHE  27           HE1      PHE  27  62.326   2.140  -8.231
  212    HE2  PHE  27           HE2      PHE  27  65.992   2.556  -6.031
  213    HZ   PHE  27           HZ       PHE  27  64.702   1.523  -7.879
  214    H    VAL  28           HN       VAL  28  62.511   8.389  -5.498
  215    HA   VAL  28           HA       VAL  28  61.178   9.383  -3.065
  216    HB   VAL  28           HB       VAL  28  62.716  11.239  -3.388
  217   1HG1  VAL  28          HG11      VAL  28  63.586   8.441  -3.564
  218   2HG1  VAL  28          HG13      VAL  28  64.805   9.593  -4.110
  219   3HG1  VAL  28          HG12      VAL  28  64.135   9.720  -2.483
  220   1HG2  VAL  28          HG23      VAL  28  62.324  11.370  -5.880
  221   2HG2  VAL  28          HG22      VAL  28  64.016  11.516  -5.406
  222   3HG2  VAL  28          HG21      VAL  28  63.412   9.994  -6.061
  223    H    LEU  29           HN       LEU  29  60.139   9.047  -6.164
  224    HA   LEU  29           HA       LEU  29  59.211  11.606  -6.981
  225   1HB   LEU  29           HB2      LEU  29  58.164   8.783  -7.326
  226   2HB   LEU  29           HB1      LEU  29  57.477  10.164  -8.181
  227    HG   LEU  29           HG       LEU  29  60.405   9.386  -8.280
  228   1HD1  LEU  29          HD11      LEU  29  58.064   8.746 -10.073
  229   2HD1  LEU  29          HD13      LEU  29  59.709   8.802 -10.707
  230   3HD1  LEU  29          HD12      LEU  29  59.292   7.651  -9.436
  231   1HD2  LEU  29          HD22      LEU  29  58.740  11.348  -9.891
  232   2HD2  LEU  29          HD21      LEU  29  59.952  11.775  -8.684
  233   3HD2  LEU  29          HD23      LEU  29  60.439  10.978 -10.180
  234    H    GLY  30           HN       GLY  30  58.071   9.449  -4.476
  235   1HA   GLY  30           HA2      GLY  30  55.548  10.985  -4.188
  236   2HA   GLY  30           HA1      GLY  30  55.942   9.490  -3.338
  237    H    ALA  31           HN       ALA  31  58.726  11.053  -3.041
  238    HA   ALA  31           HA       ALA  31  58.085  12.016  -0.328
  239   1HB   ALA  31           HB2      ALA  31  60.081  10.624  -0.913
  240   2HB   ALA  31           HB1      ALA  31  60.683  11.958  -1.899
  241   3HB   ALA  31           HB3      ALA  31  60.523  12.154  -0.154
  242    H    GLU  32           HN       GLU  32  58.444  14.190   0.366
  243    HA   GLU  32           HA       GLU  32  58.142  16.220  -1.774
  244   1HB   GLU  32           HB2      GLU  32  58.020  16.321   1.259
  245   2HB   GLU  32           HB1      GLU  32  57.600  17.659   0.186
  246   1HG   GLU  32           HG2      GLU  32  55.861  16.229  -0.873
  247   2HG   GLU  32           HG1      GLU  32  56.247  14.946   0.274
  248    H    ASP  33           HN       ASP  33  60.630  14.831   0.072
  249    HA   ASP  33           HA       ASP  33  62.353  17.267  -0.233
  250   1HB   ASP  33           HB2      ASP  33  63.635  16.274   1.631
  251   2HB   ASP  33           HB1      ASP  33  61.936  16.447   2.073
  252    H    GLY  34           HN       GLY  34  61.819  14.013  -1.233
  253   1HA   GLY  34           HA2      GLY  34  62.954  13.145  -3.210
  254   2HA   GLY  34           HA1      GLY  34  64.381  14.081  -2.756
  255    H    CYS  35           HN       CYS  35  62.439  12.071  -0.588
  256    HA   CYS  35           HA       CYS  35  64.873  10.386  -0.120
  257   1HB   CYS  35           HB2      CYS  35  62.602  11.422   1.554
  258   2HB   CYS  35           HB1      CYS  35  63.436   9.952   2.057
  259    HG   CYS  35           HG       CYS  35  65.129  11.493   3.008
  260    H    ILE  36           HN       ILE  36  64.296   8.070   0.543
  261    HA   ILE  36           HA       ILE  36  62.052   7.089  -1.182
  262    HB   ILE  36           HB       ILE  36  64.272   5.372  -0.099
  263   1HG1  ILE  36          HG12      ILE  36  64.527   7.134  -2.558
  264   2HG1  ILE  36          HG11      ILE  36  65.324   7.467  -1.020
  265   1HG2  ILE  36          HG21      ILE  36  62.282   5.351  -2.292
  266   2HG2  ILE  36          HG23      ILE  36  63.875   4.721  -2.713
  267   3HG2  ILE  36          HG22      ILE  36  62.966   4.005  -1.380
  268   1HD1  ILE  36          HD12      ILE  36  65.969   4.817  -1.475
  269   2HD1  ILE  36          HD11      ILE  36  66.021   5.513  -3.095
  270   3HD1  ILE  36          HD13      ILE  36  67.020   6.193  -1.810
  271    H    SER  37           HN       SER  37  60.463   7.416   0.554
  272    HA   SER  37           HA       SER  37  60.733   6.247   3.171
  273   1HB   SER  37           HB2      SER  37  58.364   7.046   1.457
  274   2HB   SER  37           HB1      SER  37  58.234   6.609   3.158
  275    HG   SER  37           HG       SER  37  60.056   8.573   2.268
  276    H    THR  38           HN       THR  38  59.610   4.316   3.959
  277    HA   THR  38           HA       THR  38  59.926   1.999   2.305
  278    HB   THR  38           HB       THR  38  59.940   2.255   4.851
  279    HG1  THR  38           HG1      THR  38  58.656   0.184   5.011
  280   1HG2  THR  38          HG22      THR  38  57.360   3.208   4.357
  281   2HG2  THR  38          HG21      THR  38  57.113   1.612   5.066
  282   3HG2  THR  38          HG23      THR  38  58.051   2.827   5.935
  283    H    LYS  39           HN       LYS  39  57.314   4.258   2.662
  284    HA   LYS  39           HA       LYS  39  55.104   2.592   1.909
  285   1HB   LYS  39           HB2      LYS  39  55.800   5.506   1.935
  286   2HB   LYS  39           HB1      LYS  39  54.347   5.008   1.068
  287   1HG   LYS  39           HG2      LYS  39  53.307   5.075   3.076
  288   2HG   LYS  39           HG1      LYS  39  54.178   3.585   3.442
  289   1HD   LYS  39           HD2      LYS  39  55.468   4.625   4.970
  290   2HD   LYS  39           HD1      LYS  39  55.877   5.910   3.833
  291   1HE   LYS  39           HE2      LYS  39  53.844   7.126   4.371
  292   2HE   LYS  39           HE1      LYS  39  53.265   5.786   5.382
  293   1HZ   LYS  39           HZ3      LYS  39  55.799   7.281   5.809
  294   2HZ   LYS  39           HZ2      LYS  39  54.375   7.503   6.709
  295   3HZ   LYS  39           HZ1      LYS  39  55.208   6.024   6.781
  296    H    GLU  40           HN       GLU  40  57.420   4.513  -0.005
  297    HA   GLU  40           HA       GLU  40  56.191   3.474  -2.520
  298   1HB   GLU  40           HB2      GLU  40  58.263   5.621  -1.948
  299   2HB   GLU  40           HB1      GLU  40  57.580   5.268  -3.536
  300   1HG   GLU  40           HG2      GLU  40  55.696   5.811  -1.275
  301   2HG   GLU  40           HG1      GLU  40  56.542   7.176  -2.005
  302    H    LEU  41           HN       LEU  41  57.960   1.891  -0.625
  303    HA   LEU  41           HA       LEU  41  60.321   1.425  -2.402
  304   1HB   LEU  41           HB2      LEU  41  59.864   1.605   0.419
  305   2HB   LEU  41           HB1      LEU  41  60.407  -0.034   0.058
  306    HG   LEU  41           HG       LEU  41  61.797   2.480  -0.910
  307   1HD1  LEU  41          HD12      LEU  41  61.906   1.038   1.627
  308   2HD1  LEU  41          HD11      LEU  41  63.478   1.097   0.831
  309   3HD1  LEU  41          HD13      LEU  41  62.617   2.593   1.192
  310   1HD2  LEU  41          HD23      LEU  41  61.896  -0.013  -1.996
  311   2HD2  LEU  41          HD22      LEU  41  63.257   1.108  -2.013
  312   3HD2  LEU  41          HD21      LEU  41  63.164  -0.148  -0.779
  313    H    GLY  42           HN       GLY  42  57.462  -0.092  -0.998
  314   1HA   GLY  42           HA2      GLY  42  57.995  -2.811  -1.441
  315   2HA   GLY  42           HA1      GLY  42  56.386  -2.099  -1.588
  316    H    LYS  43           HN       LYS  43  56.268  -0.672  -3.748
  317    HA   LYS  43           HA       LYS  43  56.363  -2.462  -5.957
  318   1HB   LYS  43           HB2      LYS  43  56.060  -0.271  -7.237
  319   2HB   LYS  43           HB1      LYS  43  54.904  -0.549  -5.935
  320   1HG   LYS  43           HG2      LYS  43  57.145   0.719  -4.756
  321   2HG   LYS  43           HG1      LYS  43  56.784   1.612  -6.234
  322   1HD   LYS  43           HD2      LYS  43  54.593   0.833  -4.313
  323   2HD   LYS  43           HD1      LYS  43  55.531   2.309  -4.077
  324   1HE   LYS  43           HE2      LYS  43  54.261   3.363  -5.625
  325   2HE   LYS  43           HE1      LYS  43  54.732   2.158  -6.840
  326   1HZ   LYS  43           HZ3      LYS  43  52.807   1.387  -4.765
  327   2HZ   LYS  43           HZ2      LYS  43  52.254   2.345  -6.054
  328   3HZ   LYS  43           HZ1      LYS  43  52.953   0.827  -6.360
  329    H    VAL  44           HN       VAL  44  58.793  -0.337  -4.598
  330    HA   VAL  44           HA       VAL  44  60.536  -0.281  -6.927
  331    HB   VAL  44           HB       VAL  44  60.947   0.241  -3.964
  332   1HG1  VAL  44          HG12      VAL  44  62.783   0.326  -6.297
  333   2HG1  VAL  44          HG11      VAL  44  62.850   1.710  -5.208
  334   3HG1  VAL  44          HG13      VAL  44  63.144   0.085  -4.588
  335   1HG2  VAL  44          HG22      VAL  44  60.450   2.073  -6.335
  336   2HG2  VAL  44          HG21      VAL  44  59.321   1.741  -5.019
  337   3HG2  VAL  44          HG23      VAL  44  60.817   2.620  -4.698
  338    H    MET  45           HN       MET  45  60.822  -1.944  -3.756
  339    HA   MET  45           HA       MET  45  63.067  -3.508  -4.165
  340   1HB   MET  45           HB2      MET  45  60.406  -4.006  -2.836
  341   2HB   MET  45           HB1      MET  45  61.675  -5.229  -2.779
  342   1HG   MET  45           HG2      MET  45  62.422  -2.420  -2.089
  343   2HG   MET  45           HG1      MET  45  61.489  -3.337  -0.906
  344   1HE   MET  45           HE2      MET  45  64.306  -2.099  -1.962
  345   2HE   MET  45           HE1      MET  45  65.298  -2.665  -0.620
  346   3HE   MET  45           HE3      MET  45  65.582  -3.278  -2.255
  347    H    ARG  46           HN       ARG  46  59.806  -4.094  -5.458
  348    HA   ARG  46           HA       ARG  46  60.315  -6.693  -6.567
  349   1HB   ARG  46           HB2      ARG  46  58.344  -4.465  -6.885
  350   2HB   ARG  46           HB1      ARG  46  58.348  -5.738  -8.106
  351   1HG   ARG  46           HG2      ARG  46  58.485  -7.223  -5.819
  352   2HG   ARG  46           HG1      ARG  46  57.520  -5.852  -5.270
  353   1HD   ARG  46           HD2      ARG  46  56.595  -6.656  -7.879
  354   2HD   ARG  46           HD1      ARG  46  56.615  -8.062  -6.796
  355    HE   ARG  46           HE       ARG  46  55.552  -5.642  -5.543
  356   1HH1  ARG  46          HH11      ARG  46  54.311  -7.094  -8.200
  357   2HH1  ARG  46          HH12      ARG  46  52.902  -7.762  -7.445
  358   1HH2  ARG  46          HH21      ARG  46  53.978  -7.079  -4.221
  359   2HH2  ARG  46          HH22      ARG  46  52.712  -7.749  -5.195
  360    H    MET  47           HN       MET  47  60.663  -3.404  -7.897
  361    HA   MET  47           HA       MET  47  61.303  -4.167 -10.585
  362   1HB   MET  47           HB2      MET  47  62.191  -1.767  -8.948
  363   2HB   MET  47           HB1      MET  47  62.125  -1.854 -10.709
  364   1HG   MET  47           HG2      MET  47  59.584  -2.612 -10.063
  365   2HG   MET  47           HG1      MET  47  59.936  -1.482  -8.756
  366   1HE   MET  47           HE1      MET  47  61.149   0.693  -9.124
  367   2HE   MET  47           HE3      MET  47  62.194   0.345 -10.508
  368   3HE   MET  47           HE2      MET  47  61.070   1.701 -10.568
  369    H    LEU  48           HN       LEU  48  63.580  -2.912  -8.114
  370    HA   LEU  48           HA       LEU  48  65.998  -3.531  -9.323
  371   1HB   LEU  48           HB2      LEU  48  65.140  -3.804  -6.423
  372   2HB   LEU  48           HB1      LEU  48  66.821  -3.758  -6.955
  373    HG   LEU  48           HG       LEU  48  64.810  -1.582  -7.583
  374   1HD1  LEU  48          HD11      LEU  48  66.882  -1.774  -5.377
  375   2HD1  LEU  48          HD13      LEU  48  66.051  -0.286  -5.828
  376   3HD1  LEU  48          HD12      LEU  48  65.135  -1.644  -5.174
  377   1HD2  LEU  48          HD22      LEU  48  67.776  -1.966  -7.973
  378   2HD2  LEU  48          HD21      LEU  48  66.567  -1.453  -9.150
  379   3HD2  LEU  48          HD23      LEU  48  67.084  -0.347  -7.879
  380    H    GLY  49           HN       GLY  49  64.766  -5.701  -6.763
  381   1HA   GLY  49           HA2      GLY  49  64.559  -8.085  -8.223
  382   2HA   GLY  49           HA1      GLY  49  66.260  -7.950  -7.775
  383    H    GLN  50           HN       GLN  50  63.517  -6.813  -5.840
  384    HA   GLN  50           HA       GLN  50  64.183  -8.927  -3.815
  385   1HB   GLN  50           HB2      GLN  50  63.668  -5.956  -3.549
  386   2HB   GLN  50           HB1      GLN  50  63.597  -7.048  -2.165
  387   1HG   GLN  50           HG2      GLN  50  65.824  -6.593  -2.002
  388   2HG   GLN  50           HG1      GLN  50  65.970  -7.798  -3.282
  389   1HE2  GLN  50          HE22      GLN  50  67.736  -5.099  -4.878
  390   2HE2  GLN  50          HE21      GLN  50  67.964  -6.465  -3.896
  391    H    ASN  51           HN       ASN  51  62.306  -9.176  -2.203
  392    HA   ASN  51           HA       ASN  51  59.643  -8.485  -3.336
  393   1HB   ASN  51           HB2      ASN  51  58.980 -10.854  -3.292
  394   2HB   ASN  51           HB1      ASN  51  60.394 -10.642  -4.326
  395   1HD2  ASN  51          HD22      ASN  51  61.274 -13.512  -2.205
  396   2HD2  ASN  51          HD21      ASN  51  60.253 -13.175  -3.518
  397    HA   PRO  52           HA       PRO  52  60.108  -8.600   1.343
  398   1HB   PRO  52           HB2      PRO  52  59.824  -5.916   1.796
  399   2HB   PRO  52           HB1      PRO  52  61.398  -6.689   1.520
  400   1HG   PRO  52           HG2      PRO  52  59.706  -5.118  -0.353
  401   2HG   PRO  52           HG1      PRO  52  61.467  -5.160  -0.186
  402   1HD   PRO  52           HD2      PRO  52  60.088  -6.474  -2.152
  403   2HD   PRO  52           HD1      PRO  52  61.682  -6.979  -1.549
  404    H    THR  53           HN       THR  53  58.258  -8.618   2.664
  405    HA   THR  53           HA       THR  53  55.667  -8.391   1.374
  406    HB   THR  53           HB       THR  53  55.399  -8.509   4.188
  407    HG1  THR  53           HG1      THR  53  56.962 -10.227   4.555
  408   1HG2  THR  53          HG22      THR  53  54.201  -9.826   2.426
  409   2HG2  THR  53          HG21      THR  53  55.659 -10.797   2.221
  410   3HG2  THR  53          HG23      THR  53  54.794 -10.818   3.757
  411    HA   PRO  54           HA       PRO  54  54.406  -4.354   2.546
  412   1HB   PRO  54           HB2      PRO  54  52.049  -4.680   3.900
  413   2HB   PRO  54           HB1      PRO  54  52.201  -4.931   2.150
  414   1HG   PRO  54           HG2      PRO  54  52.130  -6.934   4.349
  415   2HG   PRO  54           HG1      PRO  54  51.409  -7.003   2.735
  416   1HD   PRO  54           HD2      PRO  54  53.714  -8.294   3.411
  417   2HD   PRO  54           HD1      PRO  54  53.339  -7.751   1.760
  418    H    GLU  55           HN       GLU  55  53.845  -6.518   5.351
  419    HA   GLU  55           HA       GLU  55  54.258  -4.420   7.314
  420   1HB   GLU  55           HB2      GLU  55  54.037  -7.426   7.287
  421   2HB   GLU  55           HB1      GLU  55  54.442  -6.576   8.779
  422   1HG   GLU  55           HG2      GLU  55  52.069  -6.775   8.799
  423   2HG   GLU  55           HG1      GLU  55  52.392  -5.108   8.322
  424    H    GLU  56           HN       GLU  56  56.340  -6.745   5.682
  425    HA   GLU  56           HA       GLU  56  58.593  -6.429   7.509
  426   1HB   GLU  56           HB2      GLU  56  57.991  -7.721   4.873
  427   2HB   GLU  56           HB1      GLU  56  59.681  -7.509   5.333
  428   1HG   GLU  56           HG2      GLU  56  58.766  -8.498   7.649
  429   2HG   GLU  56           HG1      GLU  56  57.580  -9.231   6.567
  430    H    LEU  57           HN       LEU  57  57.583  -4.969   4.433
  431    HA   LEU  57           HA       LEU  57  59.845  -3.678   3.519
  432   1HB   LEU  57           HB2      LEU  57  56.959  -3.258   3.532
  433   2HB   LEU  57           HB1      LEU  57  57.835  -1.730   3.449
  434    HG   LEU  57           HG       LEU  57  58.829  -3.928   1.707
  435   1HD1  LEU  57          HD12      LEU  57  56.092  -3.399   1.734
  436   2HD1  LEU  57          HD11      LEU  57  56.702  -2.404   0.412
  437   3HD1  LEU  57          HD13      LEU  57  56.990  -4.143   0.412
  438   1HD2  LEU  57          HD21      LEU  57  59.749  -1.554   1.880
  439   2HD2  LEU  57          HD23      LEU  57  59.349  -2.094   0.249
  440   3HD2  LEU  57          HD22      LEU  57  58.256  -1.013   1.114
  441    H    GLN  58           HN       GLN  58  57.661  -2.317   6.025
  442    HA   GLN  58           HA       GLN  58  59.505  -0.165   6.689
  443   1HB   GLN  58           HB2      GLN  58  57.114   0.098   6.943
  444   2HB   GLN  58           HB1      GLN  58  57.018  -1.332   7.974
  445   1HG   GLN  58           HG2      GLN  58  56.962   0.787   9.286
  446   2HG   GLN  58           HG1      GLN  58  58.350  -0.223   9.696
  447   1HE2  GLN  58          HE22      GLN  58  60.729   2.140   8.583
  448   2HE2  GLN  58          HE21      GLN  58  60.455   0.607   9.258
  449    H    GLU  59           HN       GLU  59  59.248  -3.479   7.600
  450    HA   GLU  59           HA       GLU  59  60.460  -3.204  10.250
  451   1HB   GLU  59           HB2      GLU  59  58.891  -5.016   9.539
  452   2HB   GLU  59           HB1      GLU  59  60.122  -5.603   8.420
  453   1HG   GLU  59           HG2      GLU  59  60.716  -6.920  10.192
  454   2HG   GLU  59           HG1      GLU  59  61.581  -5.470  10.705
  455    H    MET  60           HN       MET  60  61.577  -4.158   6.996
  456    HA   MET  60           HA       MET  60  64.279  -4.797   7.792
  457   1HB   MET  60           HB2      MET  60  62.894  -4.068   5.202
  458   2HB   MET  60           HB1      MET  60  64.608  -4.480   5.261
  459   1HG   MET  60           HG2      MET  60  64.145  -6.677   6.097
  460   2HG   MET  60           HG1      MET  60  62.455  -6.274   6.403
  461   1HE   MET  60           HE1      MET  60  65.143  -5.879   3.977
  462   2HE   MET  60           HE3      MET  60  64.974  -7.528   3.359
  463   3HE   MET  60           HE2      MET  60  64.487  -6.157   2.366
  464    H    ILE  61           HN       ILE  61  62.606  -1.813   7.127
  465    HA   ILE  61           HA       ILE  61  65.082  -0.266   6.693
  466    HB   ILE  61           HB       ILE  61  62.143   0.434   6.970
  467   1HG1  ILE  61          HG12      ILE  61  63.807   0.647   4.475
  468   2HG1  ILE  61          HG11      ILE  61  63.149  -0.918   4.951
  469   1HG2  ILE  61          HG22      ILE  61  64.586   2.097   6.773
  470   2HG2  ILE  61          HG21      ILE  61  63.281   2.535   5.671
  471   3HG2  ILE  61          HG23      ILE  61  62.993   2.507   7.410
  472   1HD1  ILE  61          HD11      ILE  61  60.958   0.672   5.274
  473   2HD1  ILE  61          HD13      ILE  61  61.755   1.481   3.924
  474   3HD1  ILE  61          HD12      ILE  61  61.312  -0.222   3.795
  475    H    ASP  62           HN       ASP  62  62.464  -0.380   9.140
  476    HA   ASP  62           HA       ASP  62  63.457   1.509  10.968
  477   1HB   ASP  62           HB2      ASP  62  61.273   0.339  11.059
  478   2HB   ASP  62           HB1      ASP  62  62.101  -1.154  11.502
  479    H    GLU  63           HN       GLU  63  64.706  -1.643  10.181
  480    HA   GLU  63           HA       GLU  63  66.348  -1.817  12.636
  481   1HB   GLU  63           HB2      GLU  63  66.114  -3.525  10.137
  482   2HB   GLU  63           HB1      GLU  63  67.027  -3.968  11.579
  483   1HG   GLU  63           HG2      GLU  63  64.187  -3.164  11.975
  484   2HG   GLU  63           HG1      GLU  63  64.477  -4.730  11.220
  485    H    VAL  64           HN       VAL  64  66.608  -0.650   9.380
  486    HA   VAL  64           HA       VAL  64  69.589  -0.451   9.665
  487    HB   VAL  64           HB       VAL  64  68.577  -1.827   7.795
  488   1HG1  VAL  64          HG12      VAL  64  67.014   0.566   7.530
  489   2HG1  VAL  64          HG11      VAL  64  67.927   0.321   6.041
  490   3HG1  VAL  64          HG13      VAL  64  66.858  -0.949   6.640
  491   1HG2  VAL  64          HG23      VAL  64  70.840  -0.776   7.648
  492   2HG2  VAL  64          HG22      VAL  64  70.051  -0.906   6.075
  493   3HG2  VAL  64          HG21      VAL  64  70.101   0.645   6.912
  494    H    ASP  65           HN       ASP  65  66.796   1.346   9.952
  495    HA   ASP  65           HA       ASP  65  67.867   3.814   8.699
  496   1HB   ASP  65           HB2      ASP  65  65.545   3.369   8.341
  497   2HB   ASP  65           HB1      ASP  65  65.285   2.991  10.044
  498    H    GLU  66           HN       GLU  66  69.701   4.008  10.241
  499    HA   GLU  66           HA       GLU  66  69.362   4.222  13.081
  500   1HB   GLU  66           HB2      GLU  66  71.603   5.299  12.915
  501   2HB   GLU  66           HB1      GLU  66  71.500   3.838  11.932
  502   1HG   GLU  66           HG2      GLU  66  72.353   5.217  10.315
  503   2HG   GLU  66           HG1      GLU  66  70.657   5.658  10.120
  504    H    ASP  67           HN       ASP  67  68.565   6.382  10.500
  505    HA   ASP  67           HA       ASP  67  68.822   8.913  11.812
  506   1HB   ASP  67           HB2      ASP  67  68.308   8.168   9.341
  507   2HB   ASP  67           HB1      ASP  67  66.626   8.239   9.869
  508    H    GLY  68           HN       GLY  68  66.280   6.447  11.872
  509   1HA   GLY  68           HA2      GLY  68  64.571   6.158  13.477
  510   2HA   GLY  68           HA1      GLY  68  65.172   7.588  14.317
  511    H    SER  69           HN       SER  69  64.573   7.950  10.943
  512    HA   SER  69           HA       SER  69  62.251   9.706  11.573
  513   1HB   SER  69           HB2      SER  69  62.839  10.106   8.953
  514   2HB   SER  69           HB1      SER  69  63.682  10.931  10.262
  515    HG   SER  69           HG       SER  69  64.447   8.570   8.885
  516    H    GLY  70           HN       GLY  70  63.065   6.700   9.994
  517   1HA   GLY  70           HA2      GLY  70  61.355   5.040   9.511
  518   2HA   GLY  70           HA1      GLY  70  60.191   6.349   9.302
  519    H    THR  71           HN       THR  71  62.255   7.873   7.691
  520    HA   THR  71           HA       THR  71  61.582   6.639   5.090
  521    HB   THR  71           HB       THR  71  62.618   8.829   4.302
  522    HG1  THR  71           HG1      THR  71  62.469   9.740   6.917
  523   1HG2  THR  71          HG23      THR  71  60.164   8.316   5.658
  524   2HG2  THR  71          HG22      THR  71  60.714   9.923   6.134
  525   3HG2  THR  71          HG21      THR  71  60.491   9.537   4.428
  526    H    VAL  72           HN       VAL  72  63.264   6.216   3.480
  527    HA   VAL  72           HA       VAL  72  65.860   5.414   4.729
  528    HB   VAL  72           HB       VAL  72  64.808   4.602   2.017
  529   1HG1  VAL  72          HG11      VAL  72  66.685   3.447   4.081
  530   2HG1  VAL  72          HG13      VAL  72  66.025   2.467   2.771
  531   3HG1  VAL  72          HG12      VAL  72  67.031   3.869   2.405
  532   1HG2  VAL  72          HG22      VAL  72  63.608   4.056   4.614
  533   2HG2  VAL  72          HG21      VAL  72  63.018   3.638   3.005
  534   3HG2  VAL  72          HG23      VAL  72  64.149   2.568   3.835
  535    H    ASP  73           HN       ASP  73  67.513   6.833   4.338
  536    HA   ASP  73           HA       ASP  73  67.365   8.660   2.003
  537   1HB   ASP  73           HB2      ASP  73  69.256   8.430   4.368
  538   2HB   ASP  73           HB1      ASP  73  69.262   9.746   3.193
  539    H    PHE  74           HN       PHE  74  69.635   9.021   0.925
  540    HA   PHE  74           HA       PHE  74  70.416   6.710  -0.500
  541   1HB   PHE  74           HB2      PHE  74  70.820   9.256  -0.863
  542   2HB   PHE  74           HB1      PHE  74  72.265   9.012   0.119
  543    HD1  PHE  74           HD1      PHE  74  70.595   6.823  -2.424
  544    HD2  PHE  74           HD2      PHE  74  74.119   9.012  -1.311
  545    HE1  PHE  74           HE1      PHE  74  71.786   5.907  -4.396
  546    HE2  PHE  74           HE2      PHE  74  75.311   8.096  -3.283
  547    HZ   PHE  74           HZ       PHE  74  74.144   6.543  -4.825
  548    H    ASP  75           HN       ASP  75  71.637   8.019   2.557
  549    HA   ASP  75           HA       ASP  75  73.953   6.273   2.713
  550   1HB   ASP  75           HB2      ASP  75  73.626   8.484   3.862
  551   2HB   ASP  75           HB1      ASP  75  72.412   7.721   4.890
  552    H    GLU  76           HN       GLU  76  70.606   6.110   3.897
  553    HA   GLU  76           HA       GLU  76  71.118   3.574   5.326
  554   1HB   GLU  76           HB2      GLU  76  68.550   5.098   4.783
  555   2HB   GLU  76           HB1      GLU  76  68.800   3.869   6.022
  556   1HG   GLU  76           HG2      GLU  76  70.171   5.265   7.315
  557   2HG   GLU  76           HG1      GLU  76  70.540   6.323   5.954
  558    H    PHE  77           HN       PHE  77  69.537   4.714   2.364
  559    HA   PHE  77           HA       PHE  77  68.096   2.414   1.609
  560   1HB   PHE  77           HB2      PHE  77  68.158   4.682   0.522
  561   2HB   PHE  77           HB1      PHE  77  69.725   4.256  -0.169
  562    HD1  PHE  77           HD1      PHE  77  66.338   2.672   0.217
  563    HD2  PHE  77           HD2      PHE  77  69.689   3.460  -2.351
  564    HE1  PHE  77           HE1      PHE  77  65.200   1.476  -1.634
  565    HE2  PHE  77           HE2      PHE  77  68.552   2.264  -4.203
  566    HZ   PHE  77           HZ       PHE  77  66.307   1.272  -3.844
  567    H    LEU  78           HN       LEU  78  71.571   3.063   1.396
  568    HA   LEU  78           HA       LEU  78  72.195   0.789  -0.295
  569   1HB   LEU  78           HB2      LEU  78  73.602   2.848   1.340
  570   2HB   LEU  78           HB1      LEU  78  74.517   1.399   0.919
  571    HG   LEU  78           HG       LEU  78  73.049   3.175  -1.053
  572   1HD1  LEU  78          HD13      LEU  78  75.986   2.858  -0.378
  573   2HD1  LEU  78          HD12      LEU  78  75.398   3.681  -1.823
  574   3HD1  LEU  78          HD11      LEU  78  75.011   4.319  -0.226
  575   1HD2  LEU  78          HD22      LEU  78  73.827   0.473  -1.234
  576   2HD2  LEU  78          HD21      LEU  78  73.349   1.527  -2.566
  577   3HD2  LEU  78          HD23      LEU  78  75.051   1.374  -2.129
  578    H    VAL  79           HN       VAL  79  72.695   1.380   3.215
  579    HA   VAL  79           HA       VAL  79  73.731  -1.090   3.990
  580    HB   VAL  79           HB       VAL  79  71.576   0.487   5.434
  581   1HG1  VAL  79          HG11      VAL  79  73.864  -1.274   6.357
  582   2HG1  VAL  79          HG13      VAL  79  72.911  -0.256   7.436
  583   3HG1  VAL  79          HG12      VAL  79  72.140  -1.580   6.564
  584   1HG2  VAL  79          HG23      VAL  79  74.148   1.332   4.485
  585   2HG2  VAL  79          HG22      VAL  79  72.996   2.235   5.468
  586   3HG2  VAL  79          HG21      VAL  79  74.210   1.221   6.244
  587    H    MET  80           HN       MET  80  70.297  -0.259   3.449
  588    HA   MET  80           HA       MET  80  69.123  -2.702   4.291
  589   1HB   MET  80           HB2      MET  80  68.456  -0.312   2.801
  590   2HB   MET  80           HB1      MET  80  67.711  -1.720   2.044
  591   1HG   MET  80           HG2      MET  80  67.481  -1.879   4.928
  592   2HG   MET  80           HG1      MET  80  66.804  -0.362   4.335
  593   1HE   MET  80           HE2      MET  80  65.836  -0.420   1.947
  594   2HE   MET  80           HE1      MET  80  64.430  -1.412   1.568
  595   3HE   MET  80           HE3      MET  80  64.378  -0.279   2.926
  596    H    MET  81           HN       MET  81  70.498  -1.771   1.133
  597    HA   MET  81           HA       MET  81  69.792  -4.182  -0.265
  598   1HB   MET  81           HB2      MET  81  71.772  -1.937  -0.554
  599   2HB   MET  81           HB1      MET  81  71.887  -3.327  -1.634
  600   1HG   MET  81           HG2      MET  81  69.264  -1.903  -1.199
  601   2HG   MET  81           HG1      MET  81  70.423  -1.337  -2.402
  602   1HE   MET  81           HE2      MET  81  67.398  -2.691  -2.156
  603   2HE   MET  81           HE1      MET  81  67.770  -1.981  -3.724
  604   3HE   MET  81           HE3      MET  81  67.195  -3.651  -3.619
  605    H    VAL  82           HN       VAL  82  72.959  -3.161   1.071
  606    HA   VAL  82           HA       VAL  82  74.313  -5.627   0.746
  607    HB   VAL  82           HB       VAL  82  75.397  -3.504   1.275
  608   1HG1  VAL  82          HG12      VAL  82  73.877  -3.735   3.887
  609   2HG1  VAL  82          HG11      VAL  82  75.170  -2.571   3.594
  610   3HG1  VAL  82          HG13      VAL  82  73.680  -2.488   2.656
  611   1HG2  VAL  82          HG23      VAL  82  75.855  -5.952   2.709
  612   2HG2  VAL  82          HG22      VAL  82  77.032  -4.739   2.204
  613   3HG2  VAL  82          HG21      VAL  82  76.228  -4.589   3.766
  614    H    ARG  83           HN       ARG  83  71.923  -4.643   3.102
  615    HA   ARG  83           HA       ARG  83  72.492  -6.535   5.180
  616   1HB   ARG  83           HB2      ARG  83  70.251  -4.815   4.250
  617   2HB   ARG  83           HB1      ARG  83  69.810  -6.147   5.317
  618   1HG   ARG  83           HG2      ARG  83  71.935  -5.246   6.676
  619   2HG   ARG  83           HG1      ARG  83  71.478  -3.739   5.881
  620   1HD   ARG  83           HD2      ARG  83  70.334  -3.952   8.070
  621   2HD   ARG  83           HD1      ARG  83  69.151  -4.019   6.749
  622    HE   ARG  83           HE       ARG  83  70.027  -6.670   7.202
  623   1HH1  ARG  83          HH21      ARG  83  67.171  -5.503   7.359
  624   2HH1  ARG  83          HH22      ARG  83  66.734  -5.965   8.970
  625   1HH2  ARG  83          HH11      ARG  83  69.985  -6.684   9.933
  626   2HH2  ARG  83          HH12      ARG  83  68.326  -6.632  10.426
  627    H    CYS  84           HN       CYS  84  70.213  -6.698   2.420
  628    HA   CYS  84           HA       CYS  84  69.786  -9.594   2.937
  629   1HB   CYS  84           HB2      CYS  84  68.450  -7.351   1.529
  630   2HB   CYS  84           HB1      CYS  84  68.271  -8.932   0.770
  631    HG   CYS  84           HG       CYS  84  66.372  -8.732   2.547
  632    H    MET  85           HN       MET  85  72.386  -9.235   2.154
  633    HA   MET  85           HA       MET  85  72.379 -10.029  -0.742
  634   1HB   MET  85           HB2      MET  85  74.028  -8.167   0.904
  635   2HB   MET  85           HB1      MET  85  74.873  -9.087  -0.342
  636   1HG   MET  85           HG2      MET  85  73.038  -8.324  -1.951
  637   2HG   MET  85           HG1      MET  85  72.547  -7.187  -0.696
  638   1HE   MET  85           HE3      MET  85  72.640  -5.652  -2.410
  639   2HE   MET  85           HE2      MET  85  73.508  -4.542  -1.352
  640   3HE   MET  85           HE1      MET  85  74.053  -4.774  -3.011
  641    H    LYS  86           HN       LYS  86  74.076 -10.402   2.383
  642    HA   LYS  86           HA       LYS  86  75.872 -12.461   1.729
  643   1HB   LYS  86           HB2      LYS  86  75.194 -11.075   3.932
  644   2HB   LYS  86           HB1      LYS  86  74.382 -12.595   4.311
  645   1HG   LYS  86           HG2      LYS  86  76.920 -13.311   3.309
  646   2HG   LYS  86           HG1      LYS  86  77.203 -11.972   4.422
  647   1HD   LYS  86           HD2      LYS  86  75.360 -14.207   5.221
  648   2HD   LYS  86           HD1      LYS  86  77.106 -14.418   5.363
  649   1HE   LYS  86           HE2      LYS  86  77.172 -12.247   6.676
  650   2HE   LYS  86           HE1      LYS  86  75.398 -12.296   6.700
  651   1HZ   LYS  86           HZ1      LYS  86  75.670 -14.670   7.492
  652   2HZ   LYS  86           HZ3      LYS  86  77.293 -14.288   7.800
  653   3HZ   LYS  86           HZ2      LYS  86  76.057 -13.455   8.616
  654    H    ASP  87           HN       ASP  87  72.479 -12.792   2.841
  655    HA   ASP  87           HA       ASP  87  72.575 -15.683   2.095
  656   1HB   ASP  87           HB2      ASP  87  70.589 -14.039   3.701
  657   2HB   ASP  87           HB1      ASP  87  70.556 -15.793   3.519
  658    H    ASP  88           HN       ASP  88  72.249 -13.298   0.205
  659    HA   ASP  88           HA       ASP  88  70.820 -12.635  -1.573
  660   1HB   ASP  88           HB2      ASP  88  71.413 -15.403  -1.492
  661   2HB   ASP  88           HB1      ASP  88  69.723 -15.277  -1.984
  662    H    SER  89           HN       SER  89  69.582 -12.433   1.086
  663    HA   SER  89           HA       SER  89  67.433 -12.135   2.027
  664   1HB   SER  89           HB2      SER  89  67.425 -11.509  -0.796
  665   2HB   SER  89           HB1      SER  89  65.849 -12.129  -0.315
  666    HG   SER  89           HG       SER  89  65.571 -10.453   0.977
   
  No H/Q in entry =         666
  Start of MODEL   39
    1   1H    MET   1           HT2      MET   1  79.169   1.645  16.462
    2   2H    MET   1           HT1      MET   1  78.878   1.483  18.128
    3   3H    MET   1           HT3      MET   1  78.874   0.111  17.130
    4    HA   MET   1           HA       MET   1  76.601   0.755  17.680
    5   1HB   MET   1           HB2      MET   1  77.875   3.312  17.188
    6   2HB   MET   1           HB1      MET   1  76.394   3.171  16.239
    7   1HG   MET   1           HG2      MET   1  76.484   2.463  19.175
    8   2HG   MET   1           HG1      MET   1  76.140   4.102  18.618
    9   1HE   MET   1           HE2      MET   1  74.870   1.770  20.245
   10   2HE   MET   1           HE1      MET   1  73.161   1.588  19.858
   11   3HE   MET   1           HE3      MET   1  74.351   0.471  19.174
   12    H    ASP   2           HN       ASP   2  76.482  -1.022  16.138
   13    HA   ASP   2           HA       ASP   2  76.113  -2.000  14.006
   14   1HB   ASP   2           HB2      ASP   2  74.754   0.668  13.551
   15   2HB   ASP   2           HB1      ASP   2  74.273  -0.906  12.919
   16    H    ASP   3           HN       ASP   3  78.662  -1.131  13.920
   17    HA   ASP   3           HA       ASP   3  78.945   0.696  11.577
   18   1HB   ASP   3           HB2      ASP   3  81.192   0.974  12.376
   19   2HB   ASP   3           HB1      ASP   3  80.162   0.980  13.807
   20    H    ILE   4           HN       ILE   4  79.209  -2.639  12.515
   21    HA   ILE   4           HA       ILE   4  81.103  -3.685  10.716
   22    HB   ILE   4           HB       ILE   4  78.414  -4.780  11.602
   23   1HG1  ILE   4          HG12      ILE   4  81.105  -5.427  12.790
   24   2HG1  ILE   4          HG11      ILE   4  80.220  -3.996  13.317
   25   1HG2  ILE   4          HG22      ILE   4  80.612  -5.891   9.985
   26   2HG2  ILE   4          HG21      ILE   4  80.135  -6.907  11.346
   27   3HG2  ILE   4          HG23      ILE   4  78.941  -6.434  10.136
   28   1HD1  ILE   4          HD13      ILE   4  78.246  -5.889  13.377
   29   2HD1  ILE   4          HD12      ILE   4  79.655  -6.847  13.828
   30   3HD1  ILE   4          HD11      ILE   4  79.216  -5.425  14.774
   31    H    TYR   5           HN       TYR   5  77.568  -3.460  10.136
   32    HA   TYR   5           HA       TYR   5  77.664  -4.173   7.377
   33   1HB   TYR   5           HB2      TYR   5  75.784  -2.759   9.235
   34   2HB   TYR   5           HB1      TYR   5  75.428  -2.744   7.507
   35    HD1  TYR   5           HD1      TYR   5  75.999  -4.933  10.449
   36    HD2  TYR   5           HD2      TYR   5  74.705  -4.725   6.358
   37    HE1  TYR   5           HE1      TYR   5  75.122  -7.248  10.609
   38    HE2  TYR   5           HE2      TYR   5  73.828  -7.040   6.518
   39    HH   TYR   5           HH       TYR   5  74.176  -8.932   9.521
   40    H    LYS   6           HN       LYS   6  77.838  -0.990   8.978
   41    HA   LYS   6           HA       LYS   6  77.656   0.737   6.784
   42   1HB   LYS   6           HB2      LYS   6  79.302   0.711   9.316
   43   2HB   LYS   6           HB1      LYS   6  79.379   2.077   8.202
   44   1HG   LYS   6           HG2      LYS   6  76.666   1.106   8.956
   45   2HG   LYS   6           HG1      LYS   6  77.582   1.961  10.198
   46   1HD   LYS   6           HD2      LYS   6  77.904   3.391   7.750
   47   2HD   LYS   6           HD1      LYS   6  76.183   3.066   7.958
   48   1HE   LYS   6           HE2      LYS   6  76.693   5.165   9.087
   49   2HE   LYS   6           HE1      LYS   6  76.407   3.938  10.338
   50   1HZ   LYS   6           HZ2      LYS   6  78.788   3.505  10.403
   51   2HZ   LYS   6           HZ1      LYS   6  79.059   4.707   9.234
   52   3HZ   LYS   6           HZ3      LYS   6  78.468   5.134  10.765
   53    H    ALA   7           HN       ALA   7  80.277  -1.431   7.672
   54    HA   ALA   7           HA       ALA   7  82.268  -0.262   5.899
   55   1HB   ALA   7           HB1      ALA   7  81.957  -2.423   7.825
   56   2HB   ALA   7           HB3      ALA   7  82.884  -2.950   6.420
   57   3HB   ALA   7           HB2      ALA   7  83.419  -1.555   7.358
   58    H    ALA   8           HN       ALA   8  79.703  -2.638   5.567
   59    HA   ALA   8           HA       ALA   8  80.668  -3.898   3.150
   60   1HB   ALA   8           HB3      ALA   8  78.820  -4.502   4.952
   61   2HB   ALA   8           HB2      ALA   8  77.763  -3.616   3.854
   62   3HB   ALA   8           HB1      ALA   8  78.636  -5.037   3.282
   63    H    VAL   9           HN       VAL   9  78.037  -1.506   3.651
   64    HA   VAL   9           HA       VAL   9  77.409  -0.929   0.992
   65    HB   VAL   9           HB       VAL   9  77.600   0.803   3.469
   66   1HG1  VAL   9          HG12      VAL   9  76.332   1.424   0.783
   67   2HG1  VAL   9          HG11      VAL   9  76.081   2.368   2.252
   68   3HG1  VAL   9          HG13      VAL   9  77.685   2.278   1.526
   69   1HG2  VAL   9          HG22      VAL   9  75.945  -1.281   2.937
   70   2HG2  VAL   9          HG21      VAL   9  75.465   0.104   3.918
   71   3HG2  VAL   9          HG23      VAL   9  75.022   0.035   2.213
   72    H    GLU  10           HN       GLU  10  80.159   0.257   2.899
   73    HA   GLU  10           HA       GLU  10  81.061   2.198   0.949
   74   1HB   GLU  10           HB2      GLU  10  82.361   0.734   3.264
   75   2HB   GLU  10           HB1      GLU  10  83.148   2.042   2.380
   76   1HG   GLU  10           HG2      GLU  10  80.964   3.375   2.887
   77   2HG   GLU  10           HG1      GLU  10  80.706   2.157   4.135
   78    H    GLN  11           HN       GLN  11  81.270  -1.243   1.125
   79    HA   GLN  11           HA       GLN  11  83.725  -1.466  -0.479
   80   1HB   GLN  11           HB2      GLN  11  81.926  -3.129   1.087
   81   2HB   GLN  11           HB1      GLN  11  82.310  -3.895  -0.455
   82   1HG   GLN  11           HG2      GLN  11  84.542  -4.113   0.049
   83   2HG   GLN  11           HG1      GLN  11  84.573  -2.642   1.024
   84   1HE2  GLN  11          HE22      GLN  11  84.266  -4.457   4.013
   85   2HE2  GLN  11          HE21      GLN  11  84.817  -3.064   3.216
   86    H    LEU  12           HN       LEU  12  80.422  -0.878  -1.119
   87    HA   LEU  12           HA       LEU  12  79.926  -2.303  -3.516
   88   1HB   LEU  12           HB2      LEU  12  79.125   0.498  -2.653
   89   2HB   LEU  12           HB1      LEU  12  78.333  -0.428  -3.928
   90    HG   LEU  12           HG       LEU  12  78.616  -1.434  -1.087
   91   1HD1  LEU  12          HD12      LEU  12  76.482   0.232  -2.412
   92   2HD1  LEU  12          HD11      LEU  12  76.072  -0.871  -1.099
   93   3HD1  LEU  12          HD13      LEU  12  77.218   0.440  -0.823
   94   1HD2  LEU  12          HD21      LEU  12  78.260  -3.128  -2.869
   95   2HD2  LEU  12          HD23      LEU  12  76.861  -3.007  -1.801
   96   3HD2  LEU  12          HD22      LEU  12  76.821  -2.255  -3.396
   97    H    THR  13           HN       THR  13  80.366  -1.810  -5.713
   98    HA   THR  13           HA       THR  13  82.772  -0.184  -6.192
   99    HB   THR  13           HB       THR  13  82.447  -1.121  -8.504
  100    HG1  THR  13           HG1      THR  13  80.736  -2.602  -8.744
  101   1HG2  THR  13          HG21      THR  13  83.309  -2.386  -6.249
  102   2HG2  THR  13          HG23      THR  13  82.032  -3.483  -6.776
  103   3HG2  THR  13          HG22      THR  13  83.369  -3.101  -7.861
  104    H    GLU  14           HN       GLU  14  82.820   1.677  -7.555
  105    HA   GLU  14           HA       GLU  14  80.826   3.610  -7.348
  106   1HB   GLU  14           HB2      GLU  14  83.290   3.509  -8.361
  107   2HB   GLU  14           HB1      GLU  14  82.406   3.393  -9.883
  108   1HG   GLU  14           HG2      GLU  14  81.246   5.436  -8.187
  109   2HG   GLU  14           HG1      GLU  14  82.965   5.739  -8.441
  110    H    GLU  15           HN       GLU  15  81.335   1.485 -10.197
  111    HA   GLU  15           HA       GLU  15  79.071   2.298 -11.689
  112   1HB   GLU  15           HB2      GLU  15  79.376   0.051 -12.757
  113   2HB   GLU  15           HB1      GLU  15  80.897   0.921 -12.555
  114   1HG   GLU  15           HG2      GLU  15  81.717  -0.684 -11.203
  115   2HG   GLU  15           HG1      GLU  15  80.275  -0.641 -10.188
  116    H    GLN  16           HN       GLN  16  79.267   0.298  -8.834
  117    HA   GLN  16           HA       GLN  16  76.661  -0.983  -9.207
  118   1HB   GLN  16           HB2      GLN  16  78.523  -2.015  -7.968
  119   2HB   GLN  16           HB1      GLN  16  78.509  -0.678  -6.817
  120   1HG   GLN  16           HG2      GLN  16  76.467  -1.330  -5.881
  121   2HG   GLN  16           HG1      GLN  16  75.997  -2.254  -7.308
  122   1HE2  GLN  16          HE22      GLN  16  77.101  -4.680  -4.679
  123   2HE2  GLN  16          HE21      GLN  16  75.877  -3.509  -4.784
  124    H    LYS  17           HN       LYS  17  77.670   0.937  -6.382
  125    HA   LYS  17           HA       LYS  17  75.206   1.791  -5.479
  126   1HB   LYS  17           HB2      LYS  17  76.429   3.584  -4.431
  127   2HB   LYS  17           HB1      LYS  17  77.540   2.221  -4.567
  128   1HG   LYS  17           HG2      LYS  17  78.108   3.351  -6.900
  129   2HG   LYS  17           HG1      LYS  17  77.503   4.797  -6.090
  130   1HD   LYS  17           HD2      LYS  17  79.127   3.682  -4.161
  131   2HD   LYS  17           HD1      LYS  17  80.001   3.315  -5.648
  132   1HE   LYS  17           HE2      LYS  17  80.351   5.557  -6.158
  133   2HE   LYS  17           HE1      LYS  17  78.899   6.086  -5.283
  134   1HZ   LYS  17           HZ2      LYS  17  80.942   4.706  -3.729
  135   2HZ   LYS  17           HZ1      LYS  17  81.327   6.278  -4.245
  136   3HZ   LYS  17           HZ3      LYS  17  79.948   6.013  -3.294
  137    H    ASN  18           HN       ASN  18  76.941   2.986  -8.303
  138    HA   ASN  18           HA       ASN  18  75.444   5.390  -8.744
  139   1HB   ASN  18           HB2      ASN  18  77.195   3.522 -10.283
  140   2HB   ASN  18           HB1      ASN  18  76.234   4.676 -11.208
  141   1HD2  ASN  18          HD22      ASN  18  78.924   6.927 -10.651
  142   2HD2  ASN  18          HD21      ASN  18  78.104   5.980 -11.796
  143    H    GLU  19           HN       GLU  19  75.090   2.151 -10.251
  144    HA   GLU  19           HA       GLU  19  72.838   2.595 -11.833
  145   1HB   GLU  19           HB2      GLU  19  74.255   0.399 -10.610
  146   2HB   GLU  19           HB1      GLU  19  72.521   0.075 -10.572
  147   1HG   GLU  19           HG2      GLU  19  73.840   1.093 -13.083
  148   2HG   GLU  19           HG1      GLU  19  73.848  -0.629 -12.694
  149    H    PHE  20           HN       PHE  20  72.939   1.952  -8.329
  150    HA   PHE  20           HA       PHE  20  70.073   1.823  -7.975
  151   1HB   PHE  20           HB2      PHE  20  72.494   2.252  -6.223
  152   2HB   PHE  20           HB1      PHE  20  70.867   2.317  -5.544
  153    HD1  PHE  20           HD1      PHE  20  69.292   0.319  -6.044
  154    HD2  PHE  20           HD2      PHE  20  73.557   0.178  -6.544
  155    HE1  PHE  20           HE1      PHE  20  69.220  -2.158  -5.966
  156    HE2  PHE  20           HE2      PHE  20  73.484  -2.300  -6.466
  157    HZ   PHE  20           HZ       PHE  20  71.315  -3.468  -6.177
  158    H    LYS  21           HN       LYS  21  72.435   4.439  -8.021
  159    HA   LYS  21           HA       LYS  21  71.011   6.512  -6.751
  160   1HB   LYS  21           HB2      LYS  21  73.355   6.557  -7.590
  161   2HB   LYS  21           HB1      LYS  21  72.744   6.618  -9.243
  162   1HG   LYS  21           HG2      LYS  21  71.573   8.734  -8.728
  163   2HG   LYS  21           HG1      LYS  21  72.206   8.677  -7.082
  164   1HD   LYS  21           HD2      LYS  21  73.977   9.837  -7.870
  165   2HD   LYS  21           HD1      LYS  21  74.472   8.335  -8.650
  166   1HE   LYS  21           HE2      LYS  21  74.138   9.276 -10.680
  167   2HE   LYS  21           HE1      LYS  21  72.440   9.586 -10.264
  168   1HZ   LYS  21           HZ2      LYS  21  74.503  11.261  -9.030
  169   2HZ   LYS  21           HZ1      LYS  21  74.109  11.562 -10.655
  170   3HZ   LYS  21           HZ3      LYS  21  72.907  11.654  -9.460
  171    H    ALA  22           HN       ALA  22  70.943   5.619 -10.225
  172    HA   ALA  22           HA       ALA  22  69.075   7.513 -11.137
  173   1HB   ALA  22           HB3      ALA  22  69.848   4.702 -11.865
  174   2HB   ALA  22           HB2      ALA  22  68.509   5.468 -12.719
  175   3HB   ALA  22           HB1      ALA  22  70.115   6.197 -12.763
  176    H    ALA  23           HN       ALA  23  68.208   4.111 -10.411
  177    HA   ALA  23           HA       ALA  23  65.410   4.481 -10.313
  178   1HB   ALA  23           HB2      ALA  23  66.874   2.362 -10.314
  179   2HB   ALA  23           HB1      ALA  23  66.986   2.577  -8.568
  180   3HB   ALA  23           HB3      ALA  23  65.417   2.308  -9.324
  181    H    PHE  24           HN       PHE  24  67.834   4.813  -7.719
  182    HA   PHE  24           HA       PHE  24  66.184   5.104  -5.470
  183   1HB   PHE  24           HB2      PHE  24  68.555   5.063  -5.243
  184   2HB   PHE  24           HB1      PHE  24  68.761   6.413  -6.359
  185    HD1  PHE  24           HD2      PHE  24  67.743   5.433  -2.949
  186    HD2  PHE  24           HD1      PHE  24  68.391   8.709  -5.650
  187    HE1  PHE  24           HE2      PHE  24  67.640   7.020  -1.048
  188    HE2  PHE  24           HE1      PHE  24  68.289  10.298  -3.747
  189    HZ   PHE  24           HZ       PHE  24  67.913   9.452  -1.446
  190    H    ASP  25           HN       ASP  25  67.091   7.595  -7.866
  191    HA   ASP  25           HA       ASP  25  65.644   9.740  -6.573
  192   1HB   ASP  25           HB2      ASP  25  67.252   9.214  -8.946
  193   2HB   ASP  25           HB1      ASP  25  65.905  10.294  -9.308
  194    H    ILE  26           HN       ILE  26  64.655   7.079  -8.548
  195    HA   ILE  26           HA       ILE  26  62.256   8.374  -9.624
  196    HB   ILE  26           HB       ILE  26  63.194   5.496  -9.490
  197   1HG1  ILE  26          HG12      ILE  26  63.595   7.774 -11.427
  198   2HG1  ILE  26          HG11      ILE  26  64.797   6.668 -10.764
  199   1HG2  ILE  26          HG21      ILE  26  60.721   5.854  -9.856
  200   2HG2  ILE  26          HG23      ILE  26  61.130   6.764 -11.310
  201   3HG2  ILE  26          HG22      ILE  26  61.542   5.053 -11.196
  202   1HD1  ILE  26          HD11      ILE  26  63.688   4.807 -12.039
  203   2HD1  ILE  26          HD13      ILE  26  62.652   6.015 -12.799
  204   3HD1  ILE  26          HD12      ILE  26  64.395   6.051 -13.072
  205    H    PHE  27           HN       PHE  27  63.114   6.576  -6.746
  206    HA   PHE  27           HA       PHE  27  60.324   5.885  -6.096
  207   1HB   PHE  27           HB2      PHE  27  62.832   5.733  -4.398
  208   2HB   PHE  27           HB1      PHE  27  61.353   4.790  -4.208
  209    HD1  PHE  27           HD2      PHE  27  60.679   3.911  -6.870
  210    HD2  PHE  27           HD1      PHE  27  64.552   4.294  -5.057
  211    HE1  PHE  27           HE2      PHE  27  61.573   2.194  -8.419
  212    HE2  PHE  27           HE1      PHE  27  65.448   2.577  -6.607
  213    HZ   PHE  27           HZ       PHE  27  63.957   1.528  -8.289
  214    H    VAL  28           HN       VAL  28  62.568   8.483  -5.489
  215    HA   VAL  28           HA       VAL  28  61.175   9.485  -3.110
  216    HB   VAL  28           HB       VAL  28  62.843  11.314  -3.396
  217   1HG1  VAL  28          HG12      VAL  28  63.314   8.857  -2.510
  218   2HG1  VAL  28          HG11      VAL  28  64.346   8.783  -3.938
  219   3HG1  VAL  28          HG13      VAL  28  64.632  10.012  -2.706
  220   1HG2  VAL  28          HG21      VAL  28  62.677  10.987  -6.003
  221   2HG2  VAL  28          HG23      VAL  28  64.204  11.499  -5.284
  222   3HG2  VAL  28          HG22      VAL  28  63.966   9.812  -5.741
  223    H    LEU  29           HN       LEU  29  60.089   9.308  -6.130
  224    HA   LEU  29           HA       LEU  29  59.497  11.939  -7.017
  225   1HB   LEU  29           HB2      LEU  29  58.506   9.173  -7.383
  226   2HB   LEU  29           HB1      LEU  29  57.344  10.436  -7.790
  227    HG   LEU  29           HG       LEU  29  58.825   9.726  -9.711
  228   1HD1  LEU  29          HD12      LEU  29  57.707  11.978  -9.534
  229   2HD1  LEU  29          HD11      LEU  29  59.201  12.604  -8.839
  230   3HD1  LEU  29          HD13      LEU  29  59.188  11.989 -10.492
  231   1HD2  LEU  29          HD21      LEU  29  60.911  10.986  -7.907
  232   2HD2  LEU  29          HD23      LEU  29  60.903   9.341  -8.544
  233   3HD2  LEU  29          HD22      LEU  29  61.158  10.706  -9.631
  234    H    GLY  30           HN       GLY  30  59.005  13.093  -4.972
  235   1HA   GLY  30           HA2      GLY  30  56.672  14.075  -4.373
  236   2HA   GLY  30           HA1      GLY  30  56.331  12.434  -3.825
  237    H    ALA  31           HN       ALA  31  59.375  12.436  -3.061
  238    HA   ALA  31           HA       ALA  31  59.008  12.923  -0.260
  239   1HB   ALA  31           HB2      ALA  31  60.829  11.685  -1.901
  240   2HB   ALA  31           HB1      ALA  31  61.738  13.101  -1.371
  241   3HB   ALA  31           HB3      ALA  31  61.084  11.976  -0.181
  242    H    GLU  32           HN       GLU  32  60.142  14.605   1.018
  243    HA   GLU  32           HA       GLU  32  60.017  17.248  -0.335
  244   1HB   GLU  32           HB2      GLU  32  60.409  16.510   2.582
  245   2HB   GLU  32           HB1      GLU  32  59.913  18.079   1.948
  246   1HG   GLU  32           HG2      GLU  32  58.352  15.487   1.886
  247   2HG   GLU  32           HG1      GLU  32  57.911  16.991   2.695
  248    H    ASP  33           HN       ASP  33  62.325  15.033   1.121
  249    HA   ASP  33           HA       ASP  33  64.500  17.055   0.696
  250   1HB   ASP  33           HB2      ASP  33  65.693  15.590   2.391
  251   2HB   ASP  33           HB1      ASP  33  64.254  16.400   3.009
  252    H    GLY  34           HN       GLY  34  63.132  14.652  -0.955
  253   1HA   GLY  34           HA2      GLY  34  63.985  13.447  -2.806
  254   2HA   GLY  34           HA1      GLY  34  65.611  13.959  -2.349
  255    H    CYS  35           HN       CYS  35  63.292  12.350  -0.226
  256    HA   CYS  35           HA       CYS  35  65.230  10.076   0.016
  257   1HB   CYS  35           HB2      CYS  35  63.276  11.448   1.861
  258   2HB   CYS  35           HB1      CYS  35  63.875   9.832   2.232
  259    HG   CYS  35           HG       CYS  35  65.556  11.501   3.311
  260    H    ILE  36           HN       ILE  36  64.194   7.918   0.392
  261    HA   ILE  36           HA       ILE  36  61.716   7.649  -1.253
  262    HB   ILE  36           HB       ILE  36  63.438   5.365  -0.316
  263   1HG1  ILE  36          HG12      ILE  36  64.130   7.183  -2.651
  264   2HG1  ILE  36          HG11      ILE  36  64.994   7.165  -1.114
  265   1HG2  ILE  36          HG21      ILE  36  61.757   6.043  -2.732
  266   2HG2  ILE  36          HG23      ILE  36  62.911   4.709  -2.762
  267   3HG2  ILE  36          HG22      ILE  36  61.573   4.692  -1.612
  268   1HD1  ILE  36          HD13      ILE  36  64.763   4.466  -2.032
  269   2HD1  ILE  36          HD12      ILE  36  65.378   5.449  -3.361
  270   3HD1  ILE  36          HD11      ILE  36  66.229   5.424  -1.817
  271    H    SER  37           HN       SER  37  59.841   6.807  -0.337
  272    HA   SER  37           HA       SER  37  59.829   6.466   2.610
  273   1HB   SER  37           HB2      SER  37  58.228   7.866   1.094
  274   2HB   SER  37           HB1      SER  37  57.467   6.317   0.744
  275    HG   SER  37           HG       SER  37  58.021   6.944   3.408
  276    H    THR  38           HN       THR  38  58.762   4.585   3.572
  277    HA   THR  38           HA       THR  38  59.478   2.074   2.283
  278    HB   THR  38           HB       THR  38  59.652   2.501   4.707
  279    HG1  THR  38           HG1      THR  38  58.144   0.654   5.298
  280   1HG2  THR  38          HG22      THR  38  56.947   3.442   4.274
  281   2HG2  THR  38          HG21      THR  38  56.999   2.260   5.581
  282   3HG2  THR  38          HG23      THR  38  58.008   3.703   5.658
  283    H    LYS  39           HN       LYS  39  56.693   4.091   2.284
  284    HA   LYS  39           HA       LYS  39  54.612   2.135   1.995
  285   1HB   LYS  39           HB2      LYS  39  54.411   4.589   2.525
  286   2HB   LYS  39           HB1      LYS  39  54.812   4.934   0.843
  287   1HG   LYS  39           HG2      LYS  39  52.471   4.935   0.802
  288   2HG   LYS  39           HG1      LYS  39  52.854   3.287   0.302
  289   1HD   LYS  39           HD2      LYS  39  51.629   2.531   2.031
  290   2HD   LYS  39           HD1      LYS  39  52.809   3.253   3.127
  291   1HE   LYS  39           HE2      LYS  39  51.385   5.469   2.451
  292   2HE   LYS  39           HE1      LYS  39  50.116   4.231   2.355
  293   1HZ   LYS  39           HZ1      LYS  39  51.388   3.434   4.536
  294   2HZ   LYS  39           HZ3      LYS  39  51.683   5.101   4.654
  295   3HZ   LYS  39           HZ2      LYS  39  50.087   4.525   4.585
  296    H    GLU  40           HN       GLU  40  56.923   3.526  -0.279
  297    HA   GLU  40           HA       GLU  40  55.574   2.077  -2.525
  298   1HB   GLU  40           HB2      GLU  40  57.410   4.456  -2.270
  299   2HB   GLU  40           HB1      GLU  40  57.238   3.624  -3.817
  300   1HG   GLU  40           HG2      GLU  40  54.990   4.203  -4.035
  301   2HG   GLU  40           HG1      GLU  40  54.774   4.419  -2.297
  302    H    LEU  41           HN       LEU  41  58.447   2.157  -0.551
  303    HA   LEU  41           HA       LEU  41  60.473   1.054  -2.067
  304   1HB   LEU  41           HB2      LEU  41  59.809   1.327   0.622
  305   2HB   LEU  41           HB1      LEU  41  60.048  -0.410   0.433
  306    HG   LEU  41           HG       LEU  41  62.002   1.807  -0.218
  307   1HD1  LEU  41          HD12      LEU  41  61.682   0.696   2.140
  308   2HD1  LEU  41          HD11      LEU  41  62.532  -0.665   1.408
  309   3HD1  LEU  41          HD13      LEU  41  63.310   0.914   1.501
  310   1HD2  LEU  41          HD22      LEU  41  61.688  -0.855  -1.402
  311   2HD2  LEU  41          HD21      LEU  41  62.705   0.488  -1.921
  312   3HD2  LEU  41          HD23      LEU  41  63.277  -0.620  -0.675
  313    H    GLY  42           HN       GLY  42  57.666  -0.710  -0.738
  314   1HA   GLY  42           HA2      GLY  42  58.347  -3.330  -1.449
  315   2HA   GLY  42           HA1      GLY  42  56.690  -2.723  -1.472
  316    H    LYS  43           HN       LYS  43  56.502  -1.030  -3.491
  317    HA   LYS  43           HA       LYS  43  56.557  -2.634  -5.859
  318   1HB   LYS  43           HB2      LYS  43  56.436   0.378  -5.487
  319   2HB   LYS  43           HB1      LYS  43  55.915  -0.498  -6.927
  320   1HG   LYS  43           HG2      LYS  43  54.234  -1.708  -5.589
  321   2HG   LYS  43           HG1      LYS  43  54.752  -0.837  -4.146
  322   1HD   LYS  43           HD2      LYS  43  53.522   0.968  -4.697
  323   2HD   LYS  43           HD1      LYS  43  54.182   0.993  -6.332
  324   1HE   LYS  43           HE2      LYS  43  51.981  -0.897  -5.429
  325   2HE   LYS  43           HE1      LYS  43  51.699   0.620  -6.304
  326   1HZ   LYS  43           HZ3      LYS  43  53.787  -0.956  -7.474
  327   2HZ   LYS  43           HZ2      LYS  43  52.305  -1.786  -7.446
  328   3HZ   LYS  43           HZ1      LYS  43  52.418  -0.270  -8.204
  329    H    VAL  44           HN       VAL  44  58.949  -0.570  -4.370
  330    HA   VAL  44           HA       VAL  44  60.578  -0.179  -6.757
  331    HB   VAL  44           HB       VAL  44  61.142   0.061  -3.782
  332   1HG1  VAL  44          HG11      VAL  44  62.925   0.129  -5.971
  333   2HG1  VAL  44          HG13      VAL  44  62.671   1.810  -5.501
  334   3HG1  VAL  44          HG12      VAL  44  63.252   0.641  -4.315
  335   1HG2  VAL  44          HG22      VAL  44  60.229   2.047  -5.885
  336   2HG2  VAL  44          HG21      VAL  44  59.339   1.535  -4.451
  337   3HG2  VAL  44          HG23      VAL  44  60.797   2.512  -4.281
  338    H    MET  45           HN       MET  45  60.868  -2.255  -3.847
  339    HA   MET  45           HA       MET  45  63.252  -3.610  -4.516
  340   1HB   MET  45           HB2      MET  45  60.757  -4.225  -2.959
  341   2HB   MET  45           HB1      MET  45  61.971  -5.488  -3.167
  342   1HG   MET  45           HG2      MET  45  62.878  -2.768  -2.306
  343   2HG   MET  45           HG1      MET  45  62.105  -3.814  -1.115
  344   1HE   MET  45           HE2      MET  45  64.543  -3.096  -0.139
  345   2HE   MET  45           HE1      MET  45  66.053  -3.871  -0.616
  346   3HE   MET  45           HE3      MET  45  65.329  -2.625  -1.643
  347    H    ARG  46           HN       ARG  46  59.994  -4.017  -5.782
  348    HA   ARG  46           HA       ARG  46  60.339  -6.613  -6.974
  349   1HB   ARG  46           HB2      ARG  46  58.581  -4.237  -7.671
  350   2HB   ARG  46           HB1      ARG  46  58.345  -5.872  -8.290
  351   1HG   ARG  46           HG2      ARG  46  58.615  -6.096  -5.473
  352   2HG   ARG  46           HG1      ARG  46  57.490  -4.770  -5.774
  353   1HD   ARG  46           HD2      ARG  46  56.657  -6.668  -7.608
  354   2HD   ARG  46           HD1      ARG  46  57.113  -7.653  -6.203
  355    HE   ARG  46           HE       ARG  46  55.617  -5.282  -5.435
  356   1HH1  ARG  46          HH11      ARG  46  55.155  -7.590  -3.828
  357   2HH1  ARG  46          HH12      ARG  46  53.684  -8.272  -4.438
  358   1HH2  ARG  46          HH21      ARG  46  53.822  -6.549  -7.445
  359   2HH2  ARG  46          HH22      ARG  46  52.928  -7.682  -6.486
  360    H    MET  47           HN       MET  47  60.827  -3.302  -8.220
  361    HA   MET  47           HA       MET  47  61.570  -4.143 -10.893
  362   1HB   MET  47           HB2      MET  47  62.137  -1.600  -9.332
  363   2HB   MET  47           HB1      MET  47  62.218  -1.771 -11.085
  364   1HG   MET  47           HG2      MET  47  59.720  -2.705 -10.668
  365   2HG   MET  47           HG1      MET  47  59.841  -1.587  -9.309
  366   1HE   MET  47           HE1      MET  47  61.569   0.237  -9.774
  367   2HE   MET  47           HE3      MET  47  61.928   0.920 -11.365
  368   3HE   MET  47           HE2      MET  47  60.645   1.611 -10.375
  369    H    LEU  48           HN       LEU  48  63.541  -2.776  -8.220
  370    HA   LEU  48           HA       LEU  48  66.094  -3.020  -9.243
  371   1HB   LEU  48           HB2      LEU  48  65.041  -3.726  -6.485
  372   2HB   LEU  48           HB1      LEU  48  66.744  -3.445  -6.849
  373    HG   LEU  48           HG       LEU  48  64.544  -1.431  -7.388
  374   1HD1  LEU  48          HD13      LEU  48  65.983  -2.124  -4.941
  375   2HD1  LEU  48          HD12      LEU  48  66.225  -0.439  -5.402
  376   3HD1  LEU  48          HD11      LEU  48  64.592  -1.060  -5.159
  377   1HD2  LEU  48          HD21      LEU  48  67.562  -1.402  -7.565
  378   2HD2  LEU  48          HD23      LEU  48  66.395  -1.007  -8.826
  379   3HD2  LEU  48          HD22      LEU  48  66.623   0.085  -7.460
  380    H    GLY  49           HN       GLY  49  63.978  -5.641  -8.199
  381   1HA   GLY  49           HA2      GLY  49  64.408  -7.823  -9.399
  382   2HA   GLY  49           HA1      GLY  49  66.110  -7.584  -8.999
  383    H    GLN  50           HN       GLN  50  63.658  -6.704  -6.685
  384    HA   GLN  50           HA       GLN  50  64.397  -9.116  -5.055
  385   1HB   GLN  50           HB2      GLN  50  63.758  -6.292  -4.142
  386   2HB   GLN  50           HB1      GLN  50  64.323  -7.618  -3.124
  387   1HG   GLN  50           HG2      GLN  50  66.229  -7.563  -5.114
  388   2HG   GLN  50           HG1      GLN  50  65.850  -5.852  -4.913
  389   1HE2  GLN  50          HE22      GLN  50  68.433  -6.409  -2.384
  390   2HE2  GLN  50          HE21      GLN  50  68.304  -6.191  -4.063
  391    H    ASN  51           HN       ASN  51  62.676  -9.600  -3.358
  392    HA   ASN  51           HA       ASN  51  59.937  -8.698  -4.104
  393   1HB   ASN  51           HB2      ASN  51  61.099 -11.478  -4.267
  394   2HB   ASN  51           HB1      ASN  51  59.368 -11.245  -4.024
  395   1HD2  ASN  51          HD22      ASN  51  60.383 -11.266  -7.736
  396   2HD2  ASN  51          HD21      ASN  51  60.899 -12.263  -6.463
  397    HA   PRO  52           HA       PRO  52  60.791  -9.421   0.446
  398   1HB   PRO  52           HB2      PRO  52  60.456  -6.835   1.268
  399   2HB   PRO  52           HB1      PRO  52  62.023  -7.485   0.744
  400   1HG   PRO  52           HG2      PRO  52  60.097  -5.771  -0.732
  401   2HG   PRO  52           HG1      PRO  52  61.868  -5.757  -0.749
  402   1HD   PRO  52           HD2      PRO  52  60.314  -6.874  -2.717
  403   2HD   PRO  52           HD1      PRO  52  61.988  -7.357  -2.370
  404    H    THR  53           HN       THR  53  59.152  -9.109   2.197
  405    HA   THR  53           HA       THR  53  56.413  -9.168   1.121
  406    HB   THR  53           HB       THR  53  56.341  -9.336   3.902
  407    HG1  THR  53           HG1      THR  53  58.141 -10.360   4.524
  408   1HG2  THR  53          HG23      THR  53  55.956 -10.991   1.625
  409   2HG2  THR  53          HG22      THR  53  56.916 -11.911   2.783
  410   3HG2  THR  53          HG21      THR  53  55.354 -11.246   3.263
  411    HA   PRO  54           HA       PRO  54  55.159  -5.161   2.401
  412   1HB   PRO  54           HB2      PRO  54  52.843  -5.574   3.800
  413   2HB   PRO  54           HB1      PRO  54  52.957  -5.779   2.040
  414   1HG   PRO  54           HG2      PRO  54  52.958  -7.833   4.188
  415   2HG   PRO  54           HG1      PRO  54  52.230  -7.884   2.575
  416   1HD   PRO  54           HD2      PRO  54  54.584  -9.123   3.238
  417   2HD   PRO  54           HD1      PRO  54  54.158  -8.608   1.591
  418    H    GLU  55           HN       GLU  55  55.069  -7.522   5.066
  419    HA   GLU  55           HA       GLU  55  55.250  -5.502   7.162
  420   1HB   GLU  55           HB2      GLU  55  54.838  -8.327   6.843
  421   2HB   GLU  55           HB1      GLU  55  56.123  -8.075   8.025
  422   1HG   GLU  55           HG2      GLU  55  54.576  -6.333   9.101
  423   2HG   GLU  55           HG1      GLU  55  53.296  -7.011   8.093
  424    H    GLU  56           HN       GLU  56  57.551  -7.879   5.780
  425    HA   GLU  56           HA       GLU  56  59.837  -7.249   7.292
  426   1HB   GLU  56           HB2      GLU  56  59.286  -8.192   4.490
  427   2HB   GLU  56           HB1      GLU  56  60.951  -7.889   4.985
  428   1HG   GLU  56           HG2      GLU  56  60.594  -9.397   6.948
  429   2HG   GLU  56           HG1      GLU  56  58.987  -9.773   6.322
  430    H    LEU  57           HN       LEU  57  58.266  -5.397   4.780
  431    HA   LEU  57           HA       LEU  57  60.290  -3.744   3.790
  432   1HB   LEU  57           HB2      LEU  57  57.437  -3.809   4.017
  433   2HB   LEU  57           HB1      LEU  57  57.978  -2.168   4.373
  434    HG   LEU  57           HG       LEU  57  59.493  -2.498   2.257
  435   1HD1  LEU  57          HD13      LEU  57  58.927  -4.921   2.040
  436   2HD1  LEU  57          HD12      LEU  57  57.254  -4.471   1.715
  437   3HD1  LEU  57          HD11      LEU  57  58.528  -4.000   0.591
  438   1HD2  LEU  57          HD21      LEU  57  56.667  -1.725   2.589
  439   2HD2  LEU  57          HD23      LEU  57  57.989  -0.847   1.821
  440   3HD2  LEU  57          HD22      LEU  57  57.124  -2.096   0.927
  441    H    GLN  58           HN       GLN  58  58.173  -2.774   6.518
  442    HA   GLN  58           HA       GLN  58  59.887  -0.630   7.369
  443   1HB   GLN  58           HB2      GLN  58  57.449  -0.850   7.800
  444   2HB   GLN  58           HB1      GLN  58  57.777  -2.217   8.867
  445   1HG   GLN  58           HG2      GLN  58  57.493  -0.048  10.096
  446   2HG   GLN  58           HG1      GLN  58  59.064  -0.804  10.368
  447   1HE2  GLN  58          HE22      GLN  58  60.254   2.489   9.600
  448   2HE2  GLN  58          HE21      GLN  58  59.860   1.446  10.879
  449    H    GLU  59           HN       GLU  59  59.629  -4.033   8.351
  450    HA   GLU  59           HA       GLU  59  61.093  -4.063  10.732
  451   1HB   GLU  59           HB2      GLU  59  60.065  -5.867   8.913
  452   2HB   GLU  59           HB1      GLU  59  61.799  -6.182   8.818
  453   1HG   GLU  59           HG2      GLU  59  61.851  -7.108  10.883
  454   2HG   GLU  59           HG1      GLU  59  60.857  -5.822  11.570
  455    H    MET  60           HN       MET  60  62.437  -4.273   7.411
  456    HA   MET  60           HA       MET  60  65.194  -4.284   8.270
  457   1HB   MET  60           HB2      MET  60  63.802  -4.806   5.987
  458   2HB   MET  60           HB1      MET  60  64.475  -3.222   5.598
  459   1HG   MET  60           HG2      MET  60  66.197  -4.624   4.897
  460   2HG   MET  60           HG1      MET  60  66.702  -4.265   6.548
  461   1HE   MET  60           HE2      MET  60  64.450  -6.172   4.446
  462   2HE   MET  60           HE1      MET  60  64.805  -7.880   4.699
  463   3HE   MET  60           HE3      MET  60  63.625  -7.056   5.728
  464    H    ILE  61           HN       ILE  61  62.999  -1.699   7.152
  465    HA   ILE  61           HA       ILE  61  64.959   0.399   7.097
  466    HB   ILE  61           HB       ILE  61  61.952   0.364   7.506
  467   1HG1  ILE  61          HG12      ILE  61  63.605   0.942   5.029
  468   2HG1  ILE  61          HG11      ILE  61  62.886  -0.630   5.384
  469   1HG2  ILE  61          HG21      ILE  61  63.916   2.609   7.063
  470   2HG2  ILE  61          HG23      ILE  61  62.244   2.751   6.519
  471   3HG2  ILE  61          HG22      ILE  61  62.597   2.513   8.230
  472   1HD1  ILE  61          HD11      ILE  61  60.861   1.352   5.732
  473   2HD1  ILE  61          HD13      ILE  61  61.643   1.646   4.180
  474   3HD1  ILE  61          HD12      ILE  61  60.932   0.070   4.523
  475    H    ASP  62           HN       ASP  62  62.582  -0.535   9.614
  476    HA   ASP  62           HA       ASP  62  63.355   1.451  11.527
  477   1HB   ASP  62           HB2      ASP  62  61.400  -0.434  11.243
  478   2HB   ASP  62           HB1      ASP  62  62.398  -1.181  12.491
  479    H    GLU  63           HN       GLU  63  65.057  -1.275  10.401
  480    HA   GLU  63           HA       GLU  63  66.559  -1.626  12.945
  481   1HB   GLU  63           HB2      GLU  63  66.066  -3.719  12.107
  482   2HB   GLU  63           HB1      GLU  63  66.007  -3.147  10.440
  483   1HG   GLU  63           HG2      GLU  63  67.941  -4.663  10.866
  484   2HG   GLU  63           HG1      GLU  63  68.440  -3.054  10.347
  485    H    VAL  64           HN       VAL  64  66.977  -0.568   9.578
  486    HA   VAL  64           HA       VAL  64  69.849   0.025  10.089
  487    HB   VAL  64           HB       VAL  64  68.864  -1.185   8.034
  488   1HG1  VAL  64          HG11      VAL  64  67.156   0.924   7.943
  489   2HG1  VAL  64          HG13      VAL  64  68.396   1.482   6.820
  490   3HG1  VAL  64          HG12      VAL  64  67.568  -0.048   6.531
  491   1HG2  VAL  64          HG22      VAL  64  71.151   0.100   8.328
  492   2HG2  VAL  64          HG21      VAL  64  70.642  -0.432   6.726
  493   3HG2  VAL  64          HG23      VAL  64  70.418   1.250   7.209
  494    H    ASP  65           HN       ASP  65  66.816   1.578  10.183
  495    HA   ASP  65           HA       ASP  65  67.247   4.159   9.172
  496   1HB   ASP  65           HB2      ASP  65  65.445   2.774  10.863
  497   2HB   ASP  65           HB1      ASP  65  65.915   4.234  11.735
  498    H    GLU  66           HN       GLU  66  68.921   5.542   9.603
  499    HA   GLU  66           HA       GLU  66  70.103   5.518  12.361
  500   1HB   GLU  66           HB2      GLU  66  71.197   5.217   9.734
  501   2HB   GLU  66           HB1      GLU  66  71.803   6.732  10.404
  502   1HG   GLU  66           HG2      GLU  66  72.578   5.580  12.413
  503   2HG   GLU  66           HG1      GLU  66  71.890   4.061  11.836
  504    H    ASP  67           HN       ASP  67  67.922   7.209  10.717
  505    HA   ASP  67           HA       ASP  67  68.931   9.854  11.713
  506   1HB   ASP  67           HB2      ASP  67  67.784  10.816   9.715
  507   2HB   ASP  67           HB1      ASP  67  69.064   9.687   9.267
  508    H    GLY  68           HN       GLY  68  66.801   7.530  12.405
  509   1HA   GLY  68           HA2      GLY  68  64.613   7.457  13.287
  510   2HA   GLY  68           HA1      GLY  68  65.109   8.957  14.073
  511    H    SER  69           HN       SER  69  64.553   8.259  10.618
  512    HA   SER  69           HA       SER  69  62.628  10.555  10.582
  513   1HB   SER  69           HB2      SER  69  63.298  10.731   8.227
  514   2HB   SER  69           HB1      SER  69  64.733  10.689   9.246
  515    HG   SER  69           HG       SER  69  64.785   9.256   7.398
  516    H    GLY  70           HN       GLY  70  63.127   7.204   9.493
  517   1HA   GLY  70           HA2      GLY  70  61.239   5.638   9.479
  518   2HA   GLY  70           HA1      GLY  70  60.174   6.995   9.107
  519    H    THR  71           HN       THR  71  62.228   8.030   7.142
  520    HA   THR  71           HA       THR  71  61.281   6.439   4.839
  521    HB   THR  71           HB       THR  71  62.467   8.367   3.636
  522    HG1  THR  71           HG1      THR  71  63.545   9.726   4.809
  523   1HG2  THR  71          HG21      THR  71  60.043   8.310   5.188
  524   2HG2  THR  71          HG23      THR  71  60.718   9.940   5.212
  525   3HG2  THR  71          HG22      THR  71  60.363   9.155   3.673
  526    H    VAL  72           HN       VAL  72  63.147   6.311   3.025
  527    HA   VAL  72           HA       VAL  72  65.559   5.106   4.335
  528    HB   VAL  72           HB       VAL  72  64.300   4.307   1.701
  529   1HG1  VAL  72          HG13      VAL  72  66.664   3.631   2.306
  530   2HG1  VAL  72          HG12      VAL  72  65.981   2.726   3.656
  531   3HG1  VAL  72          HG11      VAL  72  65.563   2.288   2.000
  532   1HG2  VAL  72          HG21      VAL  72  63.607   3.509   4.525
  533   2HG2  VAL  72          HG23      VAL  72  62.521   3.905   3.192
  534   3HG2  VAL  72          HG22      VAL  72  63.389   2.368   3.197
  535    H    ASP  73           HN       ASP  73  67.111   6.715   4.001
  536    HA   ASP  73           HA       ASP  73  67.232   8.132   1.402
  537   1HB   ASP  73           HB2      ASP  73  68.903   9.481   2.577
  538   2HB   ASP  73           HB1      ASP  73  67.500   9.260   3.622
  539    H    PHE  74           HN       PHE  74  69.726   8.414   0.691
  540    HA   PHE  74           HA       PHE  74  70.623   6.009  -0.455
  541   1HB   PHE  74           HB2      PHE  74  71.303   8.672  -0.475
  542   2HB   PHE  74           HB1      PHE  74  72.711   7.952   0.305
  543    HD1  PHE  74           HD1      PHE  74  70.628   7.971  -2.752
  544    HD2  PHE  74           HD2      PHE  74  74.193   6.461  -0.893
  545    HE1  PHE  74           HE1      PHE  74  71.434   7.167  -4.954
  546    HE2  PHE  74           HE2      PHE  74  75.000   5.655  -3.096
  547    HZ   PHE  74           HZ       PHE  74  73.620   6.008  -5.127
  548    H    ASP  75           HN       ASP  75  71.525   7.469   2.666
  549    HA   ASP  75           HA       ASP  75  73.626   5.672   3.364
  550   1HB   ASP  75           HB2      ASP  75  73.094   7.819   4.472
  551   2HB   ASP  75           HB1      ASP  75  71.593   7.126   5.089
  552    H    GLU  76           HN       GLU  76  70.200   5.598   4.445
  553    HA   GLU  76           HA       GLU  76  70.461   2.913   5.545
  554   1HB   GLU  76           HB2      GLU  76  68.030   4.605   4.872
  555   2HB   GLU  76           HB1      GLU  76  68.055   3.217   5.961
  556   1HG   GLU  76           HG2      GLU  76  69.371   4.349   7.565
  557   2HG   GLU  76           HG1      GLU  76  69.867   5.588   6.410
  558    H    PHE  77           HN       PHE  77  68.839   4.294   2.668
  559    HA   PHE  77           HA       PHE  77  67.592   2.100   1.552
  560   1HB   PHE  77           HB2      PHE  77  67.819   4.456   0.665
  561   2HB   PHE  77           HB1      PHE  77  69.415   4.010   0.061
  562    HD1  PHE  77           HD2      PHE  77  66.256   2.012   0.183
  563    HD2  PHE  77           HD1      PHE  77  69.208   3.923  -2.283
  564    HE1  PHE  77           HE2      PHE  77  65.216   1.014  -1.836
  565    HE2  PHE  77           HE1      PHE  77  68.168   2.925  -4.301
  566    HZ   PHE  77           HZ       PHE  77  66.172   1.469  -4.077
  567    H    LEU  78           HN       LEU  78  71.061   2.895   1.079
  568    HA   LEU  78           HA       LEU  78  71.669   0.470  -0.357
  569   1HB   LEU  78           HB2      LEU  78  73.118   2.728   0.961
  570   2HB   LEU  78           HB1      LEU  78  74.049   1.286   0.553
  571    HG   LEU  78           HG       LEU  78  72.298   2.819  -1.390
  572   1HD1  LEU  78          HD13      LEU  78  74.621   3.756  -0.436
  573   2HD1  LEU  78          HD12      LEU  78  75.267   2.652  -1.650
  574   3HD1  LEU  78          HD11      LEU  78  74.168   3.946  -2.130
  575   1HD2  LEU  78          HD23      LEU  78  73.708   0.232  -1.447
  576   2HD2  LEU  78          HD22      LEU  78  72.406   0.824  -2.479
  577   3HD2  LEU  78          HD21      LEU  78  74.076   1.276  -2.821
  578    H    VAL  79           HN       VAL  79  72.590   1.445   2.981
  579    HA   VAL  79           HA       VAL  79  73.700  -0.949   3.878
  580    HB   VAL  79           HB       VAL  79  71.827   0.950   5.335
  581   1HG1  VAL  79          HG11      VAL  79  72.362  -1.268   6.466
  582   2HG1  VAL  79          HG13      VAL  79  74.050  -0.760   6.478
  583   3HG1  VAL  79          HG12      VAL  79  72.842   0.171   7.365
  584   1HG2  VAL  79          HG23      VAL  79  74.168   1.575   4.057
  585   2HG2  VAL  79          HG22      VAL  79  73.559   2.426   5.476
  586   3HG2  VAL  79          HG21      VAL  79  74.758   1.147   5.663
  587    H    MET  80           HN       MET  80  70.321  -0.239   3.239
  588    HA   MET  80           HA       MET  80  69.253  -2.544   4.668
  589   1HB   MET  80           HB2      MET  80  68.334  -0.189   3.444
  590   2HB   MET  80           HB1      MET  80  67.632  -1.496   2.489
  591   1HG   MET  80           HG2      MET  80  66.488  -2.399   4.326
  592   2HG   MET  80           HG1      MET  80  67.547  -1.609   5.495
  593   1HE   MET  80           HE1      MET  80  65.413  -1.303   2.630
  594   2HE   MET  80           HE3      MET  80  63.937  -0.689   3.387
  595   3HE   MET  80           HE2      MET  80  64.986   0.400   2.484
  596    H    MET  81           HN       MET  81  70.144  -1.818   1.300
  597    HA   MET  81           HA       MET  81  69.178  -4.284   0.162
  598   1HB   MET  81           HB2      MET  81  70.805  -1.937  -0.562
  599   2HB   MET  81           HB1      MET  81  71.254  -3.405  -1.430
  600   1HG   MET  81           HG2      MET  81  69.185  -3.595  -2.463
  601   2HG   MET  81           HG1      MET  81  68.349  -2.722  -1.179
  602   1HE   MET  81           HE3      MET  81  67.392  -2.300  -3.512
  603   2HE   MET  81           HE2      MET  81  67.067  -0.658  -2.961
  604   3HE   MET  81           HE1      MET  81  67.826  -0.919  -4.529
  605    H    VAL  82           HN       VAL  82  72.527  -3.238   0.932
  606    HA   VAL  82           HA       VAL  82  73.877  -5.641   0.435
  607    HB   VAL  82           HB       VAL  82  75.101  -3.672   0.955
  608   1HG1  VAL  82          HG13      VAL  82  73.188  -3.531   3.245
  609   2HG1  VAL  82          HG12      VAL  82  74.790  -2.827   3.472
  610   3HG1  VAL  82          HG11      VAL  82  73.750  -2.250   2.170
  611   1HG2  VAL  82          HG22      VAL  82  75.482  -6.028   2.464
  612   2HG2  VAL  82          HG21      VAL  82  76.677  -4.774   2.131
  613   3HG2  VAL  82          HG23      VAL  82  75.697  -4.692   3.596
  614    H    ARG  83           HN       ARG  83  71.774  -4.811   3.124
  615    HA   ARG  83           HA       ARG  83  72.581  -6.985   4.869
  616   1HB   ARG  83           HB2      ARG  83  70.336  -5.002   4.641
  617   2HB   ARG  83           HB1      ARG  83  70.183  -6.337   5.785
  618   1HG   ARG  83           HG2      ARG  83  72.149  -5.675   6.970
  619   2HG   ARG  83           HG1      ARG  83  72.618  -4.546   5.698
  620   1HD   ARG  83           HD2      ARG  83  71.531  -2.935   6.873
  621   2HD   ARG  83           HD1      ARG  83  70.017  -3.761   6.456
  622    HE   ARG  83           HE       ARG  83  70.175  -5.009   8.552
  623   1HH1  ARG  83          HH21      ARG  83  72.860  -5.345   9.309
  624   2HH1  ARG  83          HH22      ARG  83  73.204  -4.053  10.411
  625   1HH2  ARG  83          HH11      ARG  83  70.483  -2.140   9.430
  626   2HH2  ARG  83          HH12      ARG  83  71.859  -2.238  10.478
  627    H    CYS  84           HN       CYS  84  69.972  -6.528   2.481
  628    HA   CYS  84           HA       CYS  84  68.902  -9.231   2.942
  629   1HB   CYS  84           HB2      CYS  84  67.794  -6.914   2.208
  630   2HB   CYS  84           HB1      CYS  84  68.193  -7.510   0.598
  631    HG   CYS  84           HG       CYS  84  65.795  -8.375   1.937
  632    H    MET  85           HN       MET  85  71.563  -8.049   1.309
  633    HA   MET  85           HA       MET  85  71.358  -9.726  -1.100
  634   1HB   MET  85           HB2      MET  85  73.223  -7.737   0.119
  635   2HB   MET  85           HB1      MET  85  73.900  -8.862  -1.059
  636   1HG   MET  85           HG2      MET  85  71.738  -8.182  -2.444
  637   2HG   MET  85           HG1      MET  85  71.833  -6.733  -1.443
  638   1HE   MET  85           HE1      MET  85  72.929  -5.096  -1.569
  639   2HE   MET  85           HE3      MET  85  74.695  -5.163  -1.596
  640   3HE   MET  85           HE2      MET  85  73.813  -4.526  -2.982
  641    H    LYS  86           HN       LYS  86  73.854  -9.564   1.469
  642    HA   LYS  86           HA       LYS  86  75.081 -11.297   2.510
  643   1HB   LYS  86           HB2      LYS  86  72.347 -12.181   2.063
  644   2HB   LYS  86           HB1      LYS  86  73.466 -13.544   2.027
  645   1HG   LYS  86           HG2      LYS  86  73.416 -11.453   4.220
  646   2HG   LYS  86           HG1      LYS  86  72.607 -13.016   4.328
  647   1HD   LYS  86           HD2      LYS  86  75.345 -13.361   3.456
  648   2HD   LYS  86           HD1      LYS  86  75.292 -12.457   4.969
  649   1HE   LYS  86           HE2      LYS  86  74.669 -14.301   6.142
  650   2HE   LYS  86           HE1      LYS  86  73.417 -14.714   4.954
  651   1HZ   LYS  86           HZ3      LYS  86  76.258 -15.010   4.247
  652   2HZ   LYS  86           HZ2      LYS  86  75.499 -16.220   5.165
  653   3HZ   LYS  86           HZ1      LYS  86  74.911 -15.826   3.622
  654    H    ASP  87           HN       ASP  87  76.664 -11.094   0.710
  655    HA   ASP  87           HA       ASP  87  76.799 -13.610  -0.880
  656   1HB   ASP  87           HB2      ASP  87  76.625 -10.771  -1.862
  657   2HB   ASP  87           HB1      ASP  87  77.512 -11.966  -2.811
  658    H    ASP  88           HN       ASP  88  78.678 -10.654  -1.332
  659    HA   ASP  88           HA       ASP  88  81.223 -11.722  -1.376
  660   1HB   ASP  88           HB2      ASP  88  81.884  -9.442  -0.428
  661   2HB   ASP  88           HB1      ASP  88  80.803  -9.399  -1.822
  662    H    SER  89           HN       SER  89  82.876 -12.077   0.232
  663    HA   SER  89           HA       SER  89  83.652 -12.936   2.296
  664   1HB   SER  89           HB2      SER  89  81.958 -10.557   2.762
  665   2HB   SER  89           HB1      SER  89  82.223 -11.560   4.185
  666    HG   SER  89           HG       SER  89  83.908 -10.113   4.038
   
  No H/Q in entry =         666
  Start of MODEL   40
    1   1H    MET   1           HT3      MET   1  78.605  -0.258  18.378
    2   2H    MET   1           HT2      MET   1  79.245   1.082  19.203
    3   3H    MET   1           HT1      MET   1  77.645   1.116  18.630
    4    HA   MET   1           HA       MET   1  78.248   1.630  16.524
    5   1HB   MET   1           HB2      MET   1  80.453   2.389  18.430
    6   2HB   MET   1           HB1      MET   1  80.566   2.846  16.729
    7   1HG   MET   1           HG2      MET   1  77.982   3.553  17.312
    8   2HG   MET   1           HG1      MET   1  78.794   3.891  18.842
    9   1HE   MET   1           HE1      MET   1  78.145   4.442  15.390
   10   2HE   MET   1           HE3      MET   1  78.876   5.980  14.912
   11   3HE   MET   1           HE2      MET   1  79.809   4.489  14.814
   12    H    ASP   2           HN       ASP   2  78.413  -0.555  15.579
   13    HA   ASP   2           HA       ASP   2  80.975  -1.962  15.564
   14   1HB   ASP   2           HB2      ASP   2  78.258  -2.465  15.010
   15   2HB   ASP   2           HB1      ASP   2  79.098  -2.694  13.475
   16    H    ASP   3           HN       ASP   3  81.602  -2.668  13.098
   17    HA   ASP   3           HA       ASP   3  81.652  -0.230  11.372
   18   1HB   ASP   3           HB2      ASP   3  83.901  -1.684  12.712
   19   2HB   ASP   3           HB1      ASP   3  84.190  -1.004  11.111
   20    H    ILE   4           HN       ILE   4  80.883  -3.409  11.560
   21    HA   ILE   4           HA       ILE   4  82.133  -4.516   9.193
   22    HB   ILE   4           HB       ILE   4  79.518  -5.278  10.525
   23   1HG1  ILE   4          HG12      ILE   4  81.851  -6.762  11.407
   24   2HG1  ILE   4          HG11      ILE   4  82.044  -5.042  11.745
   25   1HG2  ILE   4          HG22      ILE   4  81.456  -6.573   8.658
   26   2HG2  ILE   4          HG21      ILE   4  80.692  -7.593   9.876
   27   3HG2  ILE   4          HG23      ILE   4  79.698  -6.706   8.720
   28   1HD1  ILE   4          HD11      ILE   4  79.725  -5.073  12.754
   29   2HD1  ILE   4          HD13      ILE   4  79.754  -6.830  12.599
   30   3HD1  ILE   4          HD12      ILE   4  80.922  -6.018  13.642
   31    H    TYR   5           HN       TYR   5  78.825  -3.272   9.818
   32    HA   TYR   5           HA       TYR   5  77.866  -3.488   7.145
   33   1HB   TYR   5           HB2      TYR   5  77.230  -1.827   9.575
   34   2HB   TYR   5           HB1      TYR   5  76.370  -1.530   8.063
   35    HD1  TYR   5           HD2      TYR   5  77.254  -4.208  10.509
   36    HD2  TYR   5           HD1      TYR   5  74.604  -2.948   7.372
   37    HE1  TYR   5           HE2      TYR   5  75.795  -6.161  10.958
   38    HE2  TYR   5           HE1      TYR   5  73.144  -4.902   7.821
   39    HH   TYR   5           HH       TYR   5  73.168  -7.019   8.839
   40    H    LYS   6           HN       LYS   6  79.955  -1.131   8.684
   41    HA   LYS   6           HA       LYS   6  79.662   1.024   6.808
   42   1HB   LYS   6           HB2      LYS   6  81.517   0.114   8.935
   43   2HB   LYS   6           HB1      LYS   6  82.217   1.214   7.747
   44   1HG   LYS   6           HG2      LYS   6  79.534   1.869   8.911
   45   2HG   LYS   6           HG1      LYS   6  80.977   2.167   9.882
   46   1HD   LYS   6           HD2      LYS   6  81.684   3.163   7.393
   47   2HD   LYS   6           HD1      LYS   6  79.986   3.617   7.537
   48   1HE   LYS   6           HE2      LYS   6  82.027   4.128   9.727
   49   2HE   LYS   6           HE1      LYS   6  81.575   5.333   8.503
   50   1HZ   LYS   6           HZ3      LYS   6  79.477   3.879   9.969
   51   2HZ   LYS   6           HZ2      LYS   6  80.239   5.207  10.707
   52   3HZ   LYS   6           HZ1      LYS   6  79.409   5.408   9.238
   53    H    ALA   7           HN       ALA   7  81.936  -1.731   6.961
   54    HA   ALA   7           HA       ALA   7  83.298  -1.002   4.490
   55   1HB   ALA   7           HB3      ALA   7  83.315  -3.143   6.546
   56   2HB   ALA   7           HB2      ALA   7  83.887  -3.622   4.948
   57   3HB   ALA   7           HB1      ALA   7  84.668  -2.292   5.802
   58    H    ALA   8           HN       ALA   8  80.302  -2.458   5.204
   59    HA   ALA   8           HA       ALA   8  80.195  -4.207   2.841
   60   1HB   ALA   8           HB3      ALA   8  78.925  -4.012   5.306
   61   2HB   ALA   8           HB2      ALA   8  77.686  -3.473   4.172
   62   3HB   ALA   8           HB1      ALA   8  78.424  -5.063   3.980
   63    H    VAL   9           HN       VAL   9  79.158  -0.958   3.767
   64    HA   VAL   9           HA       VAL   9  77.458  -0.551   1.430
   65    HB   VAL   9           HB       VAL   9  78.753   1.376   3.388
   66   1HG1  VAL   9          HG13      VAL   9  77.627   2.070   1.047
   67   2HG1  VAL   9          HG12      VAL   9  76.164   1.935   2.022
   68   3HG1  VAL   9          HG11      VAL   9  77.444   3.048   2.503
   69   1HG2  VAL   9          HG23      VAL   9  76.643  -0.576   3.680
   70   2HG2  VAL   9          HG22      VAL   9  77.313   0.514   4.894
   71   3HG2  VAL   9          HG21      VAL   9  75.982   1.049   3.868
   72    H    GLU  10           HN       GLU  10  80.805   0.262   2.331
   73    HA   GLU  10           HA       GLU  10  81.317   1.765  -0.125
   74   1HB   GLU  10           HB2      GLU  10  82.484   1.318   2.427
   75   2HB   GLU  10           HB1      GLU  10  83.675   0.807   1.229
   76   1HG   GLU  10           HG2      GLU  10  83.514   2.959   0.090
   77   2HG   GLU  10           HG1      GLU  10  82.229   3.473   1.185
   78    H    GLN  11           HN       GLN  11  81.580  -1.571   0.916
   79    HA   GLN  11           HA       GLN  11  83.466  -2.469  -1.076
   80   1HB   GLN  11           HB2      GLN  11  81.633  -3.546   0.962
   81   2HB   GLN  11           HB1      GLN  11  81.869  -4.623  -0.414
   82   1HG   GLN  11           HG2      GLN  11  83.544  -4.978   1.419
   83   2HG   GLN  11           HG1      GLN  11  84.280  -4.552  -0.126
   84   1HE2  GLN  11          HE22      GLN  11  85.191  -2.295   2.984
   85   2HE2  GLN  11          HE21      GLN  11  84.664  -3.906   3.055
   86    H    LEU  12           HN       LEU  12  80.231  -1.418  -1.311
   87    HA   LEU  12           HA       LEU  12  79.150  -3.120  -3.326
   88   1HB   LEU  12           HB2      LEU  12  78.775  -0.309  -2.352
   89   2HB   LEU  12           HB1      LEU  12  77.959  -0.794  -3.839
   90    HG   LEU  12           HG       LEU  12  77.793  -2.571  -1.425
   91   1HD1  LEU  12          HD11      LEU  12  77.190  -0.080  -0.916
   92   2HD1  LEU  12          HD13      LEU  12  75.771  -0.393  -1.914
   93   3HD1  LEU  12          HD12      LEU  12  76.046  -1.339  -0.452
   94   1HD2  LEU  12          HD22      LEU  12  76.232  -2.031  -3.938
   95   2HD2  LEU  12          HD21      LEU  12  76.807  -3.571  -3.298
   96   3HD2  LEU  12          HD23      LEU  12  75.425  -2.767  -2.553
   97    H    THR  13           HN       THR  13  79.633  -3.293  -5.491
   98    HA   THR  13           HA       THR  13  81.929  -2.171  -6.688
   99    HB   THR  13           HB       THR  13  80.423  -2.739  -8.820
  100    HG1  THR  13           HG1      THR  13  78.788  -4.193  -8.184
  101   1HG2  THR  13          HG23      THR  13  82.349  -4.050  -7.883
  102   2HG2  THR  13          HG22      THR  13  81.208  -4.873  -6.820
  103   3HG2  THR  13          HG21      THR  13  81.075  -5.058  -8.569
  104    H    GLU  14           HN       GLU  14  82.102  -0.485  -8.341
  105    HA   GLU  14           HA       GLU  14  80.803   1.976  -7.694
  106   1HB   GLU  14           HB2      GLU  14  82.810   0.925  -9.465
  107   2HB   GLU  14           HB1      GLU  14  81.753   2.001 -10.380
  108   1HG   GLU  14           HG2      GLU  14  82.600   2.947  -7.688
  109   2HG   GLU  14           HG1      GLU  14  83.841   2.913  -8.942
  110    H    GLU  15           HN       GLU  15  80.444   0.046 -10.704
  111    HA   GLU  15           HA       GLU  15  78.324   1.351 -11.908
  112   1HB   GLU  15           HB2      GLU  15  77.722  -0.950 -12.752
  113   2HB   GLU  15           HB1      GLU  15  79.443  -0.581 -12.863
  114   1HG   GLU  15           HG2      GLU  15  79.755  -1.733 -10.642
  115   2HG   GLU  15           HG1      GLU  15  78.069  -2.245 -10.736
  116    H    GLN  16           HN       GLN  16  78.187  -0.767  -9.078
  117    HA   GLN  16           HA       GLN  16  75.331  -1.059  -8.959
  118   1HB   GLN  16           HB2      GLN  16  77.340  -2.250  -7.749
  119   2HB   GLN  16           HB1      GLN  16  77.136  -0.971  -6.552
  120   1HG   GLN  16           HG2      GLN  16  75.526  -2.264  -5.644
  121   2HG   GLN  16           HG1      GLN  16  74.538  -1.821  -7.034
  122   1HE2  GLN  16          HE22      GLN  16  74.928  -5.601  -6.758
  123   2HE2  GLN  16          HE21      GLN  16  74.500  -4.427  -5.609
  124    H    LYS  17           HN       LYS  17  77.309   0.861  -6.665
  125    HA   LYS  17           HA       LYS  17  75.233   2.485  -5.681
  126   1HB   LYS  17           HB2      LYS  17  78.209   2.786  -6.045
  127   2HB   LYS  17           HB1      LYS  17  77.269   4.104  -5.344
  128   1HG   LYS  17           HG2      LYS  17  76.645   2.842  -3.475
  129   2HG   LYS  17           HG1      LYS  17  76.933   1.307  -4.295
  130   1HD   LYS  17           HD2      LYS  17  78.741   1.596  -2.746
  131   2HD   LYS  17           HD1      LYS  17  79.398   1.931  -4.349
  132   1HE   LYS  17           HE2      LYS  17  80.195   3.784  -3.169
  133   2HE   LYS  17           HE1      LYS  17  78.643   4.425  -3.744
  134   1HZ   LYS  17           HZ2      LYS  17  77.673   3.380  -1.665
  135   2HZ   LYS  17           HZ1      LYS  17  79.269   3.248  -1.101
  136   3HZ   LYS  17           HZ3      LYS  17  78.614   4.775  -1.439
  137    H    ASN  18           HN       ASN  18  77.161   2.823  -8.630
  138    HA   ASN  18           HA       ASN  18  76.432   5.491  -9.338
  139   1HB   ASN  18           HB2      ASN  18  77.576   3.064 -10.554
  140   2HB   ASN  18           HB1      ASN  18  76.731   4.098 -11.706
  141   1HD2  ASN  18          HD22      ASN  18  80.075   5.544 -11.706
  142   2HD2  ASN  18          HD21      ASN  18  79.227   4.238 -12.381
  143    H    GLU  19           HN       GLU  19  74.855   2.359  -9.974
  144    HA   GLU  19           HA       GLU  19  72.676   3.594 -11.506
  145   1HB   GLU  19           HB2      GLU  19  73.773   0.973 -10.911
  146   2HB   GLU  19           HB1      GLU  19  72.020   0.969 -10.709
  147   1HG   GLU  19           HG2      GLU  19  72.210   2.370 -13.017
  148   2HG   GLU  19           HG1      GLU  19  73.639   1.347 -13.169
  149    H    PHE  20           HN       PHE  20  73.362   2.845  -8.185
  150    HA   PHE  20           HA       PHE  20  70.648   2.617  -7.220
  151   1HB   PHE  20           HB2      PHE  20  73.389   3.122  -6.103
  152   2HB   PHE  20           HB1      PHE  20  71.990   3.358  -5.055
  153    HD1  PHE  20           HD1      PHE  20  72.340   0.900  -7.830
  154    HD2  PHE  20           HD2      PHE  20  72.158   1.498  -3.580
  155    HE1  PHE  20           HE1      PHE  20  72.176  -1.552  -7.491
  156    HE2  PHE  20           HE2      PHE  20  71.994  -0.955  -3.241
  157    HZ   PHE  20           HZ       PHE  20  72.005  -2.479  -5.198
  158    H    LYS  21           HN       LYS  21  72.925   5.341  -7.552
  159    HA   LYS  21           HA       LYS  21  71.390   7.344  -6.241
  160   1HB   LYS  21           HB2      LYS  21  73.769   7.470  -7.030
  161   2HB   LYS  21           HB1      LYS  21  73.173   7.590  -8.687
  162   1HG   LYS  21           HG2      LYS  21  72.921   9.807  -8.419
  163   2HG   LYS  21           HG1      LYS  21  71.745   9.502  -7.139
  164   1HD   LYS  21           HD2      LYS  21  74.442   9.052  -6.174
  165   2HD   LYS  21           HD1      LYS  21  74.284  10.676  -6.844
  166   1HE   LYS  21           HE2      LYS  21  72.487  11.222  -5.363
  167   2HE   LYS  21           HE1      LYS  21  72.272   9.526  -4.888
  168   1HZ   LYS  21           HZ2      LYS  21  74.780  11.066  -4.483
  169   2HZ   LYS  21           HZ1      LYS  21  73.606  10.838  -3.276
  170   3HZ   LYS  21           HZ3      LYS  21  74.438   9.503  -3.911
  171    H    ALA  22           HN       ALA  22  71.450   6.402  -9.696
  172    HA   ALA  22           HA       ALA  22  69.505   8.232 -10.648
  173   1HB   ALA  22           HB1      ALA  22  71.095   6.347 -11.713
  174   2HB   ALA  22           HB3      ALA  22  69.588   5.430 -11.687
  175   3HB   ALA  22           HB2      ALA  22  69.678   6.954 -12.571
  176    H    ALA  23           HN       ALA  23  68.988   4.798  -9.724
  177    HA   ALA  23           HA       ALA  23  66.171   4.765  -9.863
  178   1HB   ALA  23           HB3      ALA  23  68.282   3.109  -9.052
  179   2HB   ALA  23           HB2      ALA  23  67.260   3.247  -7.622
  180   3HB   ALA  23           HB1      ALA  23  66.579   2.656  -9.139
  181    H    PHE  24           HN       PHE  24  68.267   5.607  -7.089
  182    HA   PHE  24           HA       PHE  24  66.474   5.993  -5.031
  183   1HB   PHE  24           HB2      PHE  24  68.959   6.421  -5.099
  184   2HB   PHE  24           HB1      PHE  24  68.619   7.963  -5.883
  185    HD1  PHE  24           HD2      PHE  24  67.907   5.966  -2.811
  186    HD2  PHE  24           HD1      PHE  24  68.001   9.861  -4.617
  187    HE1  PHE  24           HE2      PHE  24  67.491   7.003  -0.596
  188    HE2  PHE  24           HE1      PHE  24  67.584  10.898  -2.403
  189    HZ   PHE  24           HZ       PHE  24  67.330   9.469  -0.393
  190    H    ASP  25           HN       ASP  25  67.150   8.365  -7.628
  191    HA   ASP  25           HA       ASP  25  65.188  10.289  -6.736
  192   1HB   ASP  25           HB2      ASP  25  66.511   9.779  -9.421
  193   2HB   ASP  25           HB1      ASP  25  65.659  11.259  -8.982
  194    H    ILE  26           HN       ILE  26  64.908   7.294  -8.418
  195    HA   ILE  26           HA       ILE  26  62.529   7.938  -9.968
  196    HB   ILE  26           HB       ILE  26  63.694   5.292  -9.042
  197   1HG1  ILE  26          HG12      ILE  26  65.326   6.757 -10.239
  198   2HG1  ILE  26          HG11      ILE  26  64.918   5.312 -11.163
  199   1HG2  ILE  26          HG22      ILE  26  61.841   6.046 -11.321
  200   2HG2  ILE  26          HG21      ILE  26  62.578   4.456 -11.119
  201   3HG2  ILE  26          HG23      ILE  26  61.434   5.058  -9.918
  202   1HD1  ILE  26          HD13      ILE  26  63.067   7.492 -11.714
  203   2HD1  ILE  26          HD12      ILE  26  64.734   7.951 -12.063
  204   3HD1  ILE  26          HD11      ILE  26  64.029   6.532 -12.838
  205    H    PHE  27           HN       PHE  27  63.172   6.753  -6.711
  206    HA   PHE  27           HA       PHE  27  60.372   5.952  -6.262
  207   1HB   PHE  27           HB2      PHE  27  62.540   6.295  -4.191
  208   2HB   PHE  27           HB1      PHE  27  61.220   5.128  -4.212
  209    HD1  PHE  27           HD2      PHE  27  61.233   3.723  -6.608
  210    HD2  PHE  27           HD1      PHE  27  64.638   5.360  -4.563
  211    HE1  PHE  27           HE2      PHE  27  62.707   2.081  -7.745
  212    HE2  PHE  27           HE1      PHE  27  66.110   3.721  -5.700
  213    HZ   PHE  27           HZ       PHE  27  65.145   2.081  -7.291
  214    H    VAL  28           HN       VAL  28  62.430   8.743  -5.711
  215    HA   VAL  28           HA       VAL  28  60.428  10.009  -3.923
  216    HB   VAL  28           HB       VAL  28  62.234  11.592  -3.557
  217   1HG1  VAL  28          HG12      VAL  28  62.342   8.963  -2.875
  218   2HG1  VAL  28          HG11      VAL  28  63.861   9.129  -3.757
  219   3HG1  VAL  28          HG13      VAL  28  63.537  10.152  -2.358
  220   1HG2  VAL  28          HG21      VAL  28  63.052  10.612  -6.185
  221   2HG2  VAL  28          HG23      VAL  28  63.476  12.120  -5.374
  222   3HG2  VAL  28          HG22      VAL  28  64.393  10.651  -5.040
  223    H    LEU  29           HN       LEU  29  59.925   9.555  -6.869
  224    HA   LEU  29           HA       LEU  29  60.255  12.004  -8.326
  225   1HB   LEU  29           HB2      LEU  29  58.828   9.438  -8.522
  226   2HB   LEU  29           HB1      LEU  29  58.009  10.764  -9.348
  227    HG   LEU  29           HG       LEU  29  60.967  10.314  -9.708
  228   1HD1  LEU  29          HD11      LEU  29  59.509   8.232 -10.230
  229   2HD1  LEU  29          HD13      LEU  29  58.886   9.186 -11.577
  230   3HD1  LEU  29          HD12      LEU  29  60.607   8.806 -11.486
  231   1HD2  LEU  29          HD22      LEU  29  59.124  12.246 -10.575
  232   2HD2  LEU  29          HD21      LEU  29  60.759  12.004 -11.190
  233   3HD2  LEU  29          HD23      LEU  29  59.394  11.216 -11.980
  234    H    GLY  30           HN       GLY  30  59.601  13.561  -6.567
  235   1HA   GLY  30           HA2      GLY  30  57.772  15.247  -6.505
  236   2HA   GLY  30           HA1      GLY  30  56.630  13.903  -6.533
  237    H    ALA  31           HN       ALA  31  59.427  13.396  -4.603
  238    HA   ALA  31           HA       ALA  31  57.874  13.123  -2.184
  239   1HB   ALA  31           HB2      ALA  31  60.327  12.323  -3.164
  240   2HB   ALA  31           HB1      ALA  31  60.781  13.507  -1.938
  241   3HB   ALA  31           HB3      ALA  31  59.795  12.115  -1.495
  242    H    GLU  32           HN       GLU  32  58.671  14.352  -0.127
  243    HA   GLU  32           HA       GLU  32  58.630  17.270  -0.753
  244   1HB   GLU  32           HB2      GLU  32  57.815  17.435   1.572
  245   2HB   GLU  32           HB1      GLU  32  56.861  16.261   0.663
  246   1HG   GLU  32           HG2      GLU  32  57.464  14.598   2.053
  247   2HG   GLU  32           HG1      GLU  32  59.173  14.986   1.856
  248    H    ASP  33           HN       ASP  33  60.628  14.760   0.611
  249    HA   ASP  33           HA       ASP  33  62.657  16.837   1.366
  250   1HB   ASP  33           HB2      ASP  33  63.277  15.213   3.195
  251   2HB   ASP  33           HB1      ASP  33  61.651  15.879   3.359
  252    H    GLY  34           HN       GLY  34  62.059  14.758  -0.974
  253   1HA   GLY  34           HA2      GLY  34  63.388  13.503  -2.444
  254   2HA   GLY  34           HA1      GLY  34  64.765  14.365  -1.755
  255    H    CYS  35           HN       CYS  35  62.470  11.800  -0.748
  256    HA   CYS  35           HA       CYS  35  64.803  10.129   0.053
  257   1HB   CYS  35           HB2      CYS  35  62.629  11.269   1.798
  258   2HB   CYS  35           HB1      CYS  35  63.385   9.736   2.230
  259    HG   CYS  35           HG       CYS  35  65.091  12.332   1.830
  260    H    ILE  36           HN       ILE  36  64.072   7.847   0.517
  261    HA   ILE  36           HA       ILE  36  61.703   7.164  -1.181
  262    HB   ILE  36           HB       ILE  36  63.693   5.132  -0.240
  263   1HG1  ILE  36          HG12      ILE  36  64.306   7.139  -2.439
  264   2HG1  ILE  36          HG11      ILE  36  65.086   7.116  -0.857
  265   1HG2  ILE  36          HG22      ILE  36  61.715   5.478  -2.330
  266   2HG2  ILE  36          HG21      ILE  36  63.283   5.053  -3.019
  267   3HG2  ILE  36          HG23      ILE  36  62.538   4.006  -1.809
  268   1HD1  ILE  36          HD11      ILE  36  65.159   4.475  -2.014
  269   2HD1  ILE  36          HD13      ILE  36  65.833   5.643  -3.150
  270   3HD1  ILE  36          HD12      ILE  36  66.505   5.504  -1.526
  271    H    SER  37           HN       SER  37  60.149   7.518   0.555
  272    HA   SER  37           HA       SER  37  60.259   6.450   3.169
  273   1HB   SER  37           HB2      SER  37  58.112   7.181   1.201
  274   2HB   SER  37           HB1      SER  37  57.653   6.429   2.726
  275    HG   SER  37           HG       SER  37  57.745   8.734   2.833
  276    H    THR  38           HN       THR  38  59.083   4.527   4.018
  277    HA   THR  38           HA       THR  38  59.806   2.091   2.736
  278    HB   THR  38           HB       THR  38  59.341   2.482   5.164
  279    HG1  THR  38           HG1      THR  38  58.351   0.492   5.450
  280   1HG2  THR  38          HG21      THR  38  57.200   3.820   4.500
  281   2HG2  THR  38          HG23      THR  38  56.422   2.239   4.505
  282   3HG2  THR  38          HG22      THR  38  57.181   2.852   5.975
  283    H    LYS  39           HN       LYS  39  57.153   4.212   2.166
  284    HA   LYS  39           HA       LYS  39  55.185   2.331   1.239
  285   1HB   LYS  39           HB2      LYS  39  55.793   5.251   0.720
  286   2HB   LYS  39           HB1      LYS  39  54.377   4.451   0.036
  287   1HG   LYS  39           HG2      LYS  39  54.994   4.381   2.995
  288   2HG   LYS  39           HG1      LYS  39  54.014   5.653   2.265
  289   1HD   LYS  39           HD2      LYS  39  53.005   3.225   1.240
  290   2HD   LYS  39           HD1      LYS  39  53.248   2.956   2.966
  291   1HE   LYS  39           HE2      LYS  39  51.814   4.758   3.565
  292   2HE   LYS  39           HE1      LYS  39  51.852   5.434   1.924
  293   1HZ   LYS  39           HZ2      LYS  39  50.937   2.668   2.374
  294   2HZ   LYS  39           HZ1      LYS  39  49.861   3.962   2.605
  295   3HZ   LYS  39           HZ3      LYS  39  50.576   3.717   1.086
  296    H    GLU  40           HN       GLU  40  57.968   3.878  -0.296
  297    HA   GLU  40           HA       GLU  40  57.245   2.762  -2.951
  298   1HB   GLU  40           HB2      GLU  40  58.749   4.966  -1.867
  299   2HB   GLU  40           HB1      GLU  40  59.805   4.006  -2.904
  300   1HG   GLU  40           HG2      GLU  40  58.823   5.451  -4.451
  301   2HG   GLU  40           HG1      GLU  40  57.757   4.049  -4.552
  302    H    LEU  41           HN       LEU  41  59.413   2.192  -0.255
  303    HA   LEU  41           HA       LEU  41  61.506   0.706  -1.299
  304   1HB   LEU  41           HB2      LEU  41  60.976   1.250   1.103
  305   2HB   LEU  41           HB1      LEU  41  59.792  -0.057   1.087
  306    HG   LEU  41           HG       LEU  41  62.098  -0.663   1.998
  307   1HD1  LEU  41          HD13      LEU  41  60.257  -2.152   0.688
  308   2HD1  LEU  41          HD12      LEU  41  61.642  -2.387  -0.379
  309   3HD1  LEU  41          HD11      LEU  41  61.758  -2.827   1.324
  310   1HD2  LEU  41          HD22      LEU  41  63.091   0.672  -0.097
  311   2HD2  LEU  41          HD21      LEU  41  63.952  -0.693   0.615
  312   3HD2  LEU  41          HD23      LEU  41  62.987  -0.921  -0.844
  313    H    GLY  42           HN       GLY  42  58.565  -0.939  -0.079
  314   1HA   GLY  42           HA2      GLY  42  58.957  -3.435  -1.201
  315   2HA   GLY  42           HA1      GLY  42  57.350  -2.729  -1.026
  316    H    LYS  43           HN       LYS  43  57.535  -0.596  -2.831
  317    HA   LYS  43           HA       LYS  43  57.082  -1.939  -5.349
  318   1HB   LYS  43           HB2      LYS  43  57.068   0.806  -4.212
  319   2HB   LYS  43           HB1      LYS  43  57.278   0.701  -5.961
  320   1HG   LYS  43           HG2      LYS  43  55.225  -1.141  -5.117
  321   2HG   LYS  43           HG1      LYS  43  54.859   0.476  -4.513
  322   1HD   LYS  43           HD2      LYS  43  53.892   0.246  -6.729
  323   2HD   LYS  43           HD1      LYS  43  55.251   1.367  -6.825
  324   1HE   LYS  43           HE2      LYS  43  56.465  -1.091  -7.258
  325   2HE   LYS  43           HE1      LYS  43  54.917  -1.249  -8.112
  326   1HZ   LYS  43           HZ3      LYS  43  56.730   1.094  -8.330
  327   2HZ   LYS  43           HZ2      LYS  43  56.640  -0.159  -9.474
  328   3HZ   LYS  43           HZ1      LYS  43  55.296   0.844  -9.200
  329    H    VAL  44           HN       VAL  44  59.806  -0.124  -3.977
  330    HA   VAL  44           HA       VAL  44  61.346   0.142  -6.383
  331    HB   VAL  44           HB       VAL  44  62.234  -0.144  -3.493
  332   1HG1  VAL  44          HG12      VAL  44  63.545   0.733  -6.032
  333   2HG1  VAL  44          HG11      VAL  44  63.953   1.602  -4.553
  334   3HG1  VAL  44          HG13      VAL  44  64.230  -0.136  -4.659
  335   1HG2  VAL  44          HG22      VAL  44  60.597   1.831  -4.778
  336   2HG2  VAL  44          HG21      VAL  44  61.185   1.813  -3.115
  337   3HG2  VAL  44          HG23      VAL  44  62.152   2.563  -4.385
  338    H    MET  45           HN       MET  45  61.463  -2.319  -3.775
  339    HA   MET  45           HA       MET  45  63.530  -3.942  -4.787
  340   1HB   MET  45           HB2      MET  45  61.017  -4.396  -3.193
  341   2HB   MET  45           HB1      MET  45  62.039  -5.767  -3.623
  342   1HG   MET  45           HG2      MET  45  63.463  -3.407  -2.534
  343   2HG   MET  45           HG1      MET  45  62.422  -4.261  -1.394
  344   1HE   MET  45           HE2      MET  45  65.406  -3.628  -2.672
  345   2HE   MET  45           HE1      MET  45  66.082  -4.424  -1.254
  346   3HE   MET  45           HE3      MET  45  66.430  -5.047  -2.873
  347    H    ARG  46           HN       ARG  46  60.156  -3.688  -5.798
  348    HA   ARG  46           HA       ARG  46  60.114  -6.048  -7.468
  349   1HB   ARG  46           HB2      ARG  46  58.516  -3.486  -7.272
  350   2HB   ARG  46           HB1      ARG  46  58.116  -4.745  -8.441
  351   1HG   ARG  46           HG2      ARG  46  58.447  -6.159  -6.077
  352   2HG   ARG  46           HG1      ARG  46  57.646  -4.677  -5.554
  353   1HD   ARG  46           HD2      ARG  46  55.774  -5.912  -6.159
  354   2HD   ARG  46           HD1      ARG  46  56.155  -5.203  -7.742
  355    HE   ARG  46           HE       ARG  46  56.825  -7.974  -6.891
  356   1HH1  ARG  46          HH21      ARG  46  55.555  -6.219  -9.373
  357   2HH1  ARG  46          HH22      ARG  46  56.543  -6.890 -10.627
  358   1HH2  ARG  46          HH11      ARG  46  58.689  -8.509  -8.438
  359   2HH2  ARG  46          HH12      ARG  46  58.314  -8.189 -10.098
  360    H    MET  47           HN       MET  47  60.977  -2.650  -7.991
  361    HA   MET  47           HA       MET  47  61.164  -2.745 -10.858
  362   1HB   MET  47           HB2      MET  47  62.288  -1.048  -8.633
  363   2HB   MET  47           HB1      MET  47  62.744  -0.740 -10.309
  364   1HG   MET  47           HG2      MET  47  59.867  -1.117 -10.021
  365   2HG   MET  47           HG1      MET  47  60.457   0.215  -9.027
  366   1HE   MET  47           HE2      MET  47  61.822   1.841  -9.559
  367   2HE   MET  47           HE1      MET  47  62.298   2.493 -11.124
  368   3HE   MET  47           HE3      MET  47  60.698   2.852 -10.464
  369    H    LEU  48           HN       LEU  48  63.774  -2.822  -8.390
  370    HA   LEU  48           HA       LEU  48  65.914  -3.422 -10.139
  371   1HB   LEU  48           HB2      LEU  48  65.464  -4.338  -7.278
  372   2HB   LEU  48           HB1      LEU  48  67.026  -4.155  -8.077
  373    HG   LEU  48           HG       LEU  48  65.070  -1.992  -7.285
  374   1HD1  LEU  48          HD13      LEU  48  67.944  -2.687  -6.678
  375   2HD1  LEU  48          HD12      LEU  48  67.320  -1.060  -6.404
  376   3HD1  LEU  48          HD11      LEU  48  66.613  -2.430  -5.549
  377   1HD2  LEU  48          HD22      LEU  48  67.356  -1.881  -9.272
  378   2HD2  LEU  48          HD21      LEU  48  65.676  -1.411  -9.536
  379   3HD2  LEU  48          HD23      LEU  48  66.707  -0.444  -8.481
  380    H    GLY  49           HN       GLY  49  64.308  -5.808  -7.991
  381   1HA   GLY  49           HA2      GLY  49  63.453  -7.770  -9.633
  382   2HA   GLY  49           HA1      GLY  49  65.199  -7.978  -9.781
  383    H    GLN  50           HN       GLN  50  63.377  -7.031  -6.880
  384    HA   GLN  50           HA       GLN  50  64.465  -9.483  -5.538
  385   1HB   GLN  50           HB2      GLN  50  64.090  -6.619  -4.806
  386   2HB   GLN  50           HB1      GLN  50  63.843  -7.800  -3.521
  387   1HG   GLN  50           HG2      GLN  50  66.077  -7.898  -3.271
  388   2HG   GLN  50           HG1      GLN  50  66.169  -8.634  -4.872
  389   1HE2  GLN  50          HE22      GLN  50  68.256  -5.764  -5.477
  390   2HE2  GLN  50          HE21      GLN  50  68.307  -7.389  -4.991
  391    H    ASN  51           HN       ASN  51  62.977  -9.943  -3.475
  392    HA   ASN  51           HA       ASN  51  60.095  -9.527  -4.057
  393   1HB   ASN  51           HB2      ASN  51  61.307 -11.654  -5.152
  394   2HB   ASN  51           HB1      ASN  51  61.005 -12.327  -3.550
  395   1HD2  ASN  51          HD22      ASN  51  57.915 -13.168  -5.275
  396   2HD2  ASN  51          HD21      ASN  51  59.505 -13.734  -5.090
  397    HA   PRO  52           HA       PRO  52  61.429  -9.754   0.432
  398   1HB   PRO  52           HB2      PRO  52  60.715  -7.199   1.103
  399   2HB   PRO  52           HB1      PRO  52  62.325  -7.621   0.488
  400   1HG   PRO  52           HG2      PRO  52  60.015  -6.404  -0.939
  401   2HG   PRO  52           HG1      PRO  52  61.746  -6.062  -1.093
  402   1HD   PRO  52           HD2      PRO  52  60.344  -7.589  -2.869
  403   2HD   PRO  52           HD1      PRO  52  62.086  -7.777  -2.568
  404    H    THR  53           HN       THR  53  59.888  -9.399   2.334
  405    HA   THR  53           HA       THR  53  57.123 -10.052   1.488
  406    HB   THR  53           HB       THR  53  57.267 -10.112   4.252
  407    HG1  THR  53           HG1      THR  53  59.682 -11.232   3.440
  408   1HG2  THR  53          HG21      THR  53  56.815 -11.871   2.217
  409   2HG2  THR  53          HG23      THR  53  58.318 -12.506   2.888
  410   3HG2  THR  53          HG22      THR  53  56.898 -12.328   3.919
  411    HA   PRO  54           HA       PRO  54  55.417  -6.163   2.593
  412   1HB   PRO  54           HB2      PRO  54  53.094  -6.870   3.856
  413   2HB   PRO  54           HB1      PRO  54  53.328  -7.036   2.105
  414   1HG   PRO  54           HG2      PRO  54  53.480  -9.104   4.239
  415   2HG   PRO  54           HG1      PRO  54  52.826  -9.220   2.598
  416   1HD   PRO  54           HD2      PRO  54  55.274 -10.188   3.324
  417   2HD   PRO  54           HD1      PRO  54  54.872  -9.662   1.675
  418    H    GLU  55           HN       GLU  55  55.723  -8.557   5.170
  419    HA   GLU  55           HA       GLU  55  55.388  -6.628   7.343
  420   1HB   GLU  55           HB2      GLU  55  55.710  -8.549   8.711
  421   2HB   GLU  55           HB1      GLU  55  54.909  -9.166   7.266
  422   1HG   GLU  55           HG2      GLU  55  57.026  -9.916   6.345
  423   2HG   GLU  55           HG1      GLU  55  57.913  -9.165   7.671
  424    H    GLU  56           HN       GLU  56  58.058  -7.903   5.454
  425    HA   GLU  56           HA       GLU  56  60.182  -7.151   7.274
  426   1HB   GLU  56           HB2      GLU  56  59.799  -8.140   4.512
  427   2HB   GLU  56           HB1      GLU  56  61.282  -7.220   4.766
  428   1HG   GLU  56           HG2      GLU  56  61.753  -8.674   6.770
  429   2HG   GLU  56           HG1      GLU  56  60.373  -9.669   6.302
  430    H    LEU  57           HN       LEU  57  58.433  -5.490   4.690
  431    HA   LEU  57           HA       LEU  57  60.032  -3.343   4.015
  432   1HB   LEU  57           HB2      LEU  57  57.216  -3.976   4.201
  433   2HB   LEU  57           HB1      LEU  57  57.476  -2.275   4.586
  434    HG   LEU  57           HG       LEU  57  58.946  -2.180   2.489
  435   1HD1  LEU  57          HD12      LEU  57  59.034  -4.749   2.394
  436   2HD1  LEU  57          HD11      LEU  57  57.403  -4.665   1.729
  437   3HD1  LEU  57          HD13      LEU  57  58.746  -3.909   0.871
  438   1HD2  LEU  57          HD23      LEU  57  56.083  -2.108   2.827
  439   2HD2  LEU  57          HD22      LEU  57  57.087  -1.143   1.746
  440   3HD2  LEU  57          HD21      LEU  57  56.467  -2.704   1.212
  441    H    GLN  58           HN       GLN  58  57.577  -2.783   6.531
  442    HA   GLN  58           HA       GLN  58  58.761  -0.545   7.724
  443   1HB   GLN  58           HB2      GLN  58  56.491  -1.860   8.052
  444   2HB   GLN  58           HB1      GLN  58  57.364  -2.628   9.377
  445   1HG   GLN  58           HG2      GLN  58  56.791   0.319   9.006
  446   2HG   GLN  58           HG1      GLN  58  56.264  -0.726  10.326
  447   1HE2  GLN  58          HE22      GLN  58  60.076   0.772  10.333
  448   2HE2  GLN  58          HE21      GLN  58  59.122   0.888   8.933
  449    H    GLU  59           HN       GLU  59  59.000  -3.898   8.987
  450    HA   GLU  59           HA       GLU  59  60.825  -3.499  11.056
  451   1HB   GLU  59           HB2      GLU  59  59.582  -5.595   9.975
  452   2HB   GLU  59           HB1      GLU  59  61.160  -5.847   9.228
  453   1HG   GLU  59           HG2      GLU  59  62.189  -6.314  11.230
  454   2HG   GLU  59           HG1      GLU  59  61.132  -5.238  12.144
  455    H    MET  60           HN       MET  60  61.825  -4.640   7.804
  456    HA   MET  60           HA       MET  60  64.571  -4.402   8.009
  457   1HB   MET  60           HB2      MET  60  62.768  -3.596   5.703
  458   2HB   MET  60           HB1      MET  60  64.482  -3.984   5.555
  459   1HG   MET  60           HG2      MET  60  62.881  -6.011   6.986
  460   2HG   MET  60           HG1      MET  60  62.472  -5.818   5.282
  461   1HE   MET  60           HE3      MET  60  63.760  -5.814   3.517
  462   2HE   MET  60           HE2      MET  60  65.446  -5.327   3.670
  463   3HE   MET  60           HE1      MET  60  65.054  -6.985   3.225
  464    H    ILE  61           HN       ILE  61  62.302  -1.730   7.272
  465    HA   ILE  61           HA       ILE  61  64.454   0.248   7.120
  466    HB   ILE  61           HB       ILE  61  61.428   0.439   7.284
  467   1HG1  ILE  61          HG12      ILE  61  63.009   1.019   4.818
  468   2HG1  ILE  61          HG11      ILE  61  62.832  -0.673   5.284
  469   1HG2  ILE  61          HG21      ILE  61  63.525   2.463   7.367
  470   2HG2  ILE  61          HG23      ILE  61  62.461   2.685   5.977
  471   3HG2  ILE  61          HG22      ILE  61  61.787   2.645   7.606
  472   1HD1  ILE  61          HD13      ILE  61  60.280   0.440   5.627
  473   2HD1  ILE  61          HD12      ILE  61  60.870   1.116   4.108
  474   3HD1  ILE  61          HD11      ILE  61  60.793  -0.633   4.325
  475    H    ASP  62           HN       ASP  62  62.897  -1.304   9.693
  476    HA   ASP  62           HA       ASP  62  63.123   1.042  11.518
  477   1HB   ASP  62           HB2      ASP  62  61.215  -0.862  11.209
  478   2HB   ASP  62           HB1      ASP  62  62.203  -1.623  12.457
  479    H    GLU  63           HN       GLU  63  65.211  -1.174  10.359
  480    HA   GLU  63           HA       GLU  63  66.584  -1.548  13.003
  481   1HB   GLU  63           HB2      GLU  63  65.965  -3.308  10.711
  482   2HB   GLU  63           HB1      GLU  63  67.616  -3.449  11.315
  483   1HG   GLU  63           HG2      GLU  63  66.515  -3.569  13.665
  484   2HG   GLU  63           HG1      GLU  63  65.029  -3.932  12.784
  485    H    VAL  64           HN       VAL  64  66.832  -0.456   9.692
  486    HA   VAL  64           HA       VAL  64  69.773  -0.053   9.961
  487    HB   VAL  64           HB       VAL  64  68.510  -1.134   7.965
  488   1HG1  VAL  64          HG11      VAL  64  66.957   1.042   8.020
  489   2HG1  VAL  64          HG13      VAL  64  68.210   1.655   6.941
  490   3HG1  VAL  64          HG12      VAL  64  67.312   0.199   6.513
  491   1HG2  VAL  64          HG22      VAL  64  70.665   0.931   7.921
  492   2HG2  VAL  64          HG21      VAL  64  70.733  -0.775   7.481
  493   3HG2  VAL  64          HG23      VAL  64  70.023   0.394   6.368
  494    H    ASP  65           HN       ASP  65  66.730   1.697   9.817
  495    HA   ASP  65           HA       ASP  65  67.818   4.313   9.248
  496   1HB   ASP  65           HB2      ASP  65  65.343   3.102   9.461
  497   2HB   ASP  65           HB1      ASP  65  65.379   4.141  10.887
  498    H    GLU  66           HN       GLU  66  69.472   4.963  10.647
  499    HA   GLU  66           HA       GLU  66  69.140   4.598  13.573
  500   1HB   GLU  66           HB2      GLU  66  71.301   5.219  11.619
  501   2HB   GLU  66           HB1      GLU  66  71.499   5.871  13.247
  502   1HG   GLU  66           HG2      GLU  66  70.965   2.962  12.572
  503   2HG   GLU  66           HG1      GLU  66  72.524   3.631  13.056
  504    H    ASP  67           HN       ASP  67  68.442   6.948  11.207
  505    HA   ASP  67           HA       ASP  67  68.938   9.321  12.841
  506   1HB   ASP  67           HB2      ASP  67  67.937  10.452  10.948
  507   2HB   ASP  67           HB1      ASP  67  68.941   9.148  10.315
  508    H    GLY  68           HN       GLY  68  66.067   7.403  11.917
  509   1HA   GLY  68           HA2      GLY  68  64.195   7.041  13.402
  510   2HA   GLY  68           HA1      GLY  68  64.685   8.464  14.321
  511    H    SER  69           HN       SER  69  64.460   8.445  10.808
  512    HA   SER  69           HA       SER  69  62.360  10.553  11.003
  513   1HB   SER  69           HB2      SER  69  63.126  11.141   8.785
  514   2HB   SER  69           HB1      SER  69  64.554  10.853   9.774
  515    HG   SER  69           HG       SER  69  64.324   9.797   7.579
  516    H    GLY  70           HN       GLY  70  62.968   7.333   9.680
  517   1HA   GLY  70           HA2      GLY  70  61.146   5.758   9.327
  518   2HA   GLY  70           HA1      GLY  70  60.062   7.126   9.062
  519    H    THR  71           HN       THR  71  62.129   8.451   7.329
  520    HA   THR  71           HA       THR  71  61.369   7.094   4.816
  521    HB   THR  71           HB       THR  71  62.596   9.212   3.940
  522    HG1  THR  71           HG1      THR  71  63.724   9.964   5.586
  523   1HG2  THR  71          HG23      THR  71  60.022   8.744   4.601
  524   2HG2  THR  71          HG22      THR  71  60.375  10.062   5.718
  525   3HG2  THR  71          HG21      THR  71  60.582  10.298   3.982
  526    H    VAL  72           HN       VAL  72  62.867   6.123   3.409
  527    HA   VAL  72           HA       VAL  72  65.515   5.471   4.578
  528    HB   VAL  72           HB       VAL  72  64.366   4.503   1.958
  529   1HG1  VAL  72          HG13      VAL  72  66.682   3.879   2.583
  530   2HG1  VAL  72          HG12      VAL  72  66.077   3.188   4.089
  531   3HG1  VAL  72          HG11      VAL  72  65.617   2.474   2.543
  532   1HG2  VAL  72          HG21      VAL  72  63.533   3.806   4.770
  533   2HG2  VAL  72          HG23      VAL  72  62.516   4.093   3.356
  534   3HG2  VAL  72          HG22      VAL  72  63.441   2.596   3.489
  535    H    ASP  73           HN       ASP  73  67.213   6.784   4.041
  536    HA   ASP  73           HA       ASP  73  67.077   8.376   1.524
  537   1HB   ASP  73           HB2      ASP  73  67.615   9.114   4.036
  538   2HB   ASP  73           HB1      ASP  73  69.245   8.631   3.568
  539    H    PHE  74           HN       PHE  74  69.421   8.680   0.542
  540    HA   PHE  74           HA       PHE  74  70.295   6.276  -0.635
  541   1HB   PHE  74           HB2      PHE  74  70.760   8.730  -1.221
  542   2HB   PHE  74           HB1      PHE  74  72.048   8.666  -0.016
  543    HD1  PHE  74           HD1      PHE  74  70.766   6.825  -3.021
  544    HD2  PHE  74           HD2      PHE  74  74.174   7.900  -0.635
  545    HE1  PHE  74           HE1      PHE  74  72.267   5.756  -4.681
  546    HE2  PHE  74           HE2      PHE  74  75.674   6.831  -2.297
  547    HZ   PHE  74           HZ       PHE  74  74.720   5.760  -4.320
  548    H    ASP  75           HN       ASP  75  71.112   7.661   2.482
  549    HA   ASP  75           HA       ASP  75  73.462   5.980   2.926
  550   1HB   ASP  75           HB2      ASP  75  73.192   8.183   3.958
  551   2HB   ASP  75           HB1      ASP  75  71.696   7.662   4.733
  552    H    GLU  76           HN       GLU  76  70.211   6.086   4.448
  553    HA   GLU  76           HA       GLU  76  70.524   3.513   5.742
  554   1HB   GLU  76           HB2      GLU  76  68.103   5.221   5.068
  555   2HB   GLU  76           HB1      GLU  76  68.094   3.865   6.196
  556   1HG   GLU  76           HG2      GLU  76  69.117   5.062   7.834
  557   2HG   GLU  76           HG1      GLU  76  70.223   5.840   6.701
  558    H    PHE  77           HN       PHE  77  69.088   4.609   2.693
  559    HA   PHE  77           HA       PHE  77  67.663   2.276   1.945
  560   1HB   PHE  77           HB2      PHE  77  67.605   4.490   0.828
  561   2HB   PHE  77           HB1      PHE  77  69.253   4.233   0.253
  562    HD1  PHE  77           HD1      PHE  77  66.008   2.334   0.345
  563    HD2  PHE  77           HD2      PHE  77  69.469   3.474  -1.931
  564    HE1  PHE  77           HE1      PHE  77  65.133   1.086  -1.611
  565    HE2  PHE  77           HE2      PHE  77  68.593   2.226  -3.888
  566    HZ   PHE  77           HZ       PHE  77  66.425   1.032  -3.728
  567    H    LEU  78           HN       LEU  78  71.082   3.145   1.331
  568    HA   LEU  78           HA       LEU  78  71.778   0.812  -0.164
  569   1HB   LEU  78           HB2      LEU  78  73.067   3.055   1.244
  570   2HB   LEU  78           HB1      LEU  78  74.069   1.607   1.147
  571    HG   LEU  78           HG       LEU  78  72.641   2.776  -1.252
  572   1HD1  LEU  78          HD12      LEU  78  75.187   3.541   0.073
  573   2HD1  LEU  78          HD11      LEU  78  75.256   3.345  -1.679
  574   3HD1  LEU  78          HD13      LEU  78  74.126   4.496  -0.965
  575   1HD2  LEU  78          HD23      LEU  78  74.707   0.637  -0.765
  576   2HD2  LEU  78          HD22      LEU  78  73.231   0.549  -1.727
  577   3HD2  LEU  78          HD21      LEU  78  74.622   1.451  -2.328
  578    H    VAL  79           HN       VAL  79  72.489   1.516   3.291
  579    HA   VAL  79           HA       VAL  79  73.534  -0.975   4.028
  580    HB   VAL  79           HB       VAL  79  71.689   0.848   5.608
  581   1HG1  VAL  79          HG12      VAL  79  72.296  -1.492   6.517
  582   2HG1  VAL  79          HG11      VAL  79  73.941  -0.872   6.658
  583   3HG1  VAL  79          HG13      VAL  79  72.631  -0.111   7.562
  584   1HG2  VAL  79          HG22      VAL  79  74.171   1.405   4.396
  585   2HG2  VAL  79          HG21      VAL  79  73.366   2.359   5.643
  586   3HG2  VAL  79          HG23      VAL  79  74.537   1.122   6.097
  587    H    MET  80           HN       MET  80  70.162  -0.079   3.483
  588    HA   MET  80           HA       MET  80  68.945  -2.362   4.742
  589   1HB   MET  80           HB2      MET  80  68.235  -0.038   3.227
  590   2HB   MET  80           HB1      MET  80  67.434  -1.431   2.497
  591   1HG   MET  80           HG2      MET  80  67.350  -1.452   5.432
  592   2HG   MET  80           HG1      MET  80  66.525  -0.066   4.719
  593   1HE   MET  80           HE2      MET  80  64.664  -0.095   3.126
  594   2HE   MET  80           HE1      MET  80  65.539  -1.062   1.942
  595   3HE   MET  80           HE3      MET  80  63.891  -1.507   2.409
  596    H    MET  81           HN       MET  81  70.220  -1.797   1.473
  597    HA   MET  81           HA       MET  81  69.221  -4.293   0.367
  598   1HB   MET  81           HB2      MET  81  70.604  -1.914  -0.444
  599   2HB   MET  81           HB1      MET  81  71.516  -3.310  -1.017
  600   1HG   MET  81           HG2      MET  81  69.710  -4.134  -2.274
  601   2HG   MET  81           HG1      MET  81  68.528  -3.192  -1.367
  602   1HE   MET  81           HE1      MET  81  67.305  -2.331  -2.890
  603   2HE   MET  81           HE3      MET  81  67.666  -0.689  -2.337
  604   3HE   MET  81           HE2      MET  81  67.649  -1.060  -4.060
  605    H    VAL  82           HN       VAL  82  72.559  -3.224   1.149
  606    HA   VAL  82           HA       VAL  82  73.902  -5.653   0.838
  607    HB   VAL  82           HB       VAL  82  75.085  -3.628   1.292
  608   1HG1  VAL  82          HG12      VAL  82  73.307  -3.518   3.728
  609   2HG1  VAL  82          HG11      VAL  82  74.801  -2.582   3.645
  610   3HG1  VAL  82          HG13      VAL  82  73.520  -2.304   2.466
  611   1HG2  VAL  82          HG23      VAL  82  75.570  -5.951   2.732
  612   2HG2  VAL  82          HG22      VAL  82  76.680  -4.588   2.583
  613   3HG2  VAL  82          HG21      VAL  82  75.598  -4.698   3.973
  614    H    ARG  83           HN       ARG  83  71.696  -4.692   3.389
  615    HA   ARG  83           HA       ARG  83  72.420  -6.619   5.382
  616   1HB   ARG  83           HB2      ARG  83  70.161  -4.835   4.682
  617   2HB   ARG  83           HB1      ARG  83  69.740  -6.207   5.708
  618   1HG   ARG  83           HG2      ARG  83  71.472  -5.581   7.315
  619   2HG   ARG  83           HG1      ARG  83  71.995  -4.259   6.271
  620   1HD   ARG  83           HD2      ARG  83  70.576  -3.123   7.751
  621   2HD   ARG  83           HD1      ARG  83  69.436  -3.544   6.457
  622    HE   ARG  83           HE       ARG  83  68.499  -5.219   7.869
  623   1HH1  ARG  83          HH21      ARG  83  70.247  -3.093   9.692
  624   2HH1  ARG  83          HH22      ARG  83  70.592  -4.179  10.995
  625   1HH2  ARG  83          HH11      ARG  83  69.445  -6.986   9.311
  626   2HH2  ARG  83          HH12      ARG  83  70.140  -6.384  10.780
  627    H    CYS  84           HN       CYS  84  69.380  -6.777   3.522
  628    HA   CYS  84           HA       CYS  84  69.027  -9.585   3.832
  629   1HB   CYS  84           HB2      CYS  84  67.254  -7.994   3.252
  630   2HB   CYS  84           HB1      CYS  84  68.046  -7.639   1.717
  631    HG   CYS  84           HG       CYS  84  66.345 -10.113   2.312
  632    H    MET  85           HN       MET  85  71.165  -7.830   1.788
  633    HA   MET  85           HA       MET  85  71.344  -9.596  -0.465
  634   1HB   MET  85           HB2      MET  85  72.895  -7.427   0.836
  635   2HB   MET  85           HB1      MET  85  73.831  -8.503  -0.201
  636   1HG   MET  85           HG2      MET  85  71.585  -8.062  -1.725
  637   2HG   MET  85           HG1      MET  85  71.796  -6.504  -0.927
  638   1HE   MET  85           HE2      MET  85  73.133  -4.896  -1.378
  639   2HE   MET  85           HE1      MET  85  74.361  -4.752  -2.633
  640   3HE   MET  85           HE3      MET  85  72.661  -4.966  -3.073
  641    H    LYS  86           HN       LYS  86  74.061 -10.343  -0.531
  642    HA   LYS  86           HA       LYS  86  74.608 -11.997   1.859
  643   1HB   LYS  86           HB2      LYS  86  73.462 -12.951  -0.715
  644   2HB   LYS  86           HB1      LYS  86  74.752 -13.939  -0.027
  645   1HG   LYS  86           HG2      LYS  86  73.128 -13.302   2.158
  646   2HG   LYS  86           HG1      LYS  86  71.993 -13.651   0.853
  647   1HD   LYS  86           HD2      LYS  86  73.796 -15.664   0.500
  648   2HD   LYS  86           HD1      LYS  86  73.874 -15.459   2.251
  649   1HE   LYS  86           HE2      LYS  86  71.171 -15.553   0.939
  650   2HE   LYS  86           HE1      LYS  86  72.052 -17.070   1.211
  651   1HZ   LYS  86           HZ2      LYS  86  72.488 -15.772   3.512
  652   2HZ   LYS  86           HZ1      LYS  86  70.922 -15.226   3.141
  653   3HZ   LYS  86           HZ3      LYS  86  71.226 -16.888   3.281
  654    H    ASP  87           HN       ASP  87  75.713 -12.869  -1.348
  655    HA   ASP  87           HA       ASP  87  78.348 -11.551  -0.792
  656   1HB   ASP  87           HB2      ASP  87  77.694 -14.281  -0.644
  657   2HB   ASP  87           HB1      ASP  87  78.547 -14.098  -2.178
  658    H    ASP  88           HN       ASP  88  79.742 -11.830  -2.944
  659    HA   ASP  88           HA       ASP  88  78.220 -10.535  -5.084
  660   1HB   ASP  88           HB2      ASP  88  81.040 -11.201  -4.388
  661   2HB   ASP  88           HB1      ASP  88  80.686 -10.971  -6.100
  662    H    SER  89           HN       SER  89  78.532 -13.729  -4.203
  663    HA   SER  89           HA       SER  89  77.518 -14.716  -6.737
  664   1HB   SER  89           HB2      SER  89  79.685 -16.229  -6.926
  665   2HB   SER  89           HB1      SER  89  79.685 -14.598  -7.592
  666    HG   SER  89           HG       SER  89  81.137 -14.078  -6.173

  No H/Q in entry =         666